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-e1246a83/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-e1246a83/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-e1246a83/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-e1246a83/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-e1246a83/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-e1246a83/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-e1246a83/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-e1246a83/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-e1246a83/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-e1246a83/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-e1246a83/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-e1246a83/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-e1246a83/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-e1246a83/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-e1246a83/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-e1246a83/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-e1246a83/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-e1246a83/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-e1246a83/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-e1246a83/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: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -490.515306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.515306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.515306 (E_RNA)
where:
Base-Base interactions energy: -162.873
where: short stacking energy: -154.516
Base-Backbone interact. energy: -0.839
local terms energy: -326.802799
where:
bonds (distance) C4'-P energy: -87.293
bonds (distance) P-C4' energy: -88.092
flat angles C4'-P-C4' energy: -77.713
flat angles P-C4'-P energy: -44.760
tors. eta vs tors. theta energy: -28.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -451.805643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.805643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.805643 (E_RNA)
where:
Base-Base interactions energy: -163.209
where: short stacking energy: -148.396
Base-Backbone interact. energy: 0.510
local terms energy: -289.106591
where:
bonds (distance) C4'-P energy: -86.900
bonds (distance) P-C4' energy: -73.446
flat angles C4'-P-C4' energy: -70.975
flat angles P-C4'-P energy: -45.991
tors. eta vs tors. theta energy: -11.795
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: 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: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -529.029437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.029437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.029437 (E_RNA)
where:
Base-Base interactions energy: -225.295
where: short stacking energy: -217.427
Base-Backbone interact. energy: 1.470
local terms energy: -305.205329
where:
bonds (distance) C4'-P energy: -56.510
bonds (distance) P-C4' energy: -90.325
flat angles C4'-P-C4' energy: -74.187
flat angles P-C4'-P energy: -50.202
tors. eta vs tors. theta energy: -33.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -481.573130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.573130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.573130 (E_RNA)
where:
Base-Base interactions energy: -179.520
where: short stacking energy: -160.974
Base-Backbone interact. energy: 1.723
local terms energy: -303.776761
where:
bonds (distance) C4'-P energy: -86.030
bonds (distance) P-C4' energy: -94.566
flat angles C4'-P-C4' energy: -71.426
flat angles P-C4'-P energy: -42.017
tors. eta vs tors. theta energy: -9.737
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: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -446.683554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.683554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.683554 (E_RNA)
where:
Base-Base interactions energy: -159.788
where: short stacking energy: -150.625
Base-Backbone interact. energy: 4.266
local terms energy: -291.161326
where:
bonds (distance) C4'-P energy: -78.294
bonds (distance) P-C4' energy: -87.079
flat angles C4'-P-C4' energy: -73.017
flat angles P-C4'-P energy: -45.746
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -496.356455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.356455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.356455 (E_RNA)
where:
Base-Base interactions energy: -201.604
where: short stacking energy: -184.014
Base-Backbone interact. energy: 0.339
local terms energy: -295.091519
where:
bonds (distance) C4'-P energy: -75.954
bonds (distance) P-C4' energy: -96.771
flat angles C4'-P-C4' energy: -55.041
flat angles P-C4'-P energy: -47.571
tors. eta vs tors. theta energy: -19.755
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: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -443.787455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.787455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.787455 (E_RNA)
where:
Base-Base interactions energy: -163.444
where: short stacking energy: -152.961
Base-Backbone interact. energy: -0.520
local terms energy: -279.823578
where:
bonds (distance) C4'-P energy: -74.021
bonds (distance) P-C4' energy: -74.539
flat angles C4'-P-C4' energy: -84.088
flat angles P-C4'-P energy: -46.839
tors. eta vs tors. theta energy: -0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -407.502880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.502880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.502880 (E_RNA)
where:
Base-Base interactions energy: -157.798
where: short stacking energy: -146.880
Base-Backbone interact. energy: -0.379
local terms energy: -249.326654
where:
bonds (distance) C4'-P energy: -77.093
bonds (distance) P-C4' energy: -90.055
flat angles C4'-P-C4' energy: -48.471
flat angles P-C4'-P energy: -37.933
tors. eta vs tors. theta energy: 4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 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: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -564.653490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.653490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.653490 (E_RNA)
where:
Base-Base interactions energy: -205.827
where: short stacking energy: -183.169
Base-Backbone interact. energy: 0.617
local terms energy: -359.443190
where:
bonds (distance) C4'-P energy: -79.783
bonds (distance) P-C4' energy: -103.300
flat angles C4'-P-C4' energy: -87.831
flat angles P-C4'-P energy: -55.500
tors. eta vs tors. theta energy: -33.029
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: 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: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -442.225678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.225678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.225678 (E_RNA)
where:
Base-Base interactions energy: -157.398
where: short stacking energy: -110.716
Base-Backbone interact. energy: 1.503
local terms energy: -286.330441
where:
bonds (distance) C4'-P energy: -82.433
bonds (distance) P-C4' energy: -79.453
flat angles C4'-P-C4' energy: -70.102
flat angles P-C4'-P energy: -51.423
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: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -387.367102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.367102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.367102 (E_RNA)
where:
Base-Base interactions energy: -123.054
where: short stacking energy: -98.872
Base-Backbone interact. energy: -0.984
local terms energy: -263.329491
where:
bonds (distance) C4'-P energy: -89.866
bonds (distance) P-C4' energy: -79.541
flat angles C4'-P-C4' energy: -61.703
flat angles P-C4'-P energy: -31.972
tors. eta vs tors. theta energy: -0.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 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: 6
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -541.694629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.694629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.694629 (E_RNA)
where:
Base-Base interactions energy: -215.405
where: short stacking energy: -170.612
Base-Backbone interact. energy: -0.951
local terms energy: -325.338041
where:
bonds (distance) C4'-P energy: -80.608
bonds (distance) P-C4' energy: -85.461
flat angles C4'-P-C4' energy: -77.458
flat angles P-C4'-P energy: -59.906
tors. eta vs tors. theta energy: -21.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 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: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -451.566374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.566374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.566374 (E_RNA)
where:
Base-Base interactions energy: -159.645
where: short stacking energy: -109.515
Base-Backbone interact. energy: -2.349
local terms energy: -289.572005
where:
bonds (distance) C4'-P energy: -79.942
bonds (distance) P-C4' energy: -88.290
flat angles C4'-P-C4' energy: -79.184
flat angles P-C4'-P energy: -47.790
tors. eta vs tors. theta energy: 5.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -411.957818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.957818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.957818 (E_RNA)
where:
Base-Base interactions energy: -150.455
where: short stacking energy: -144.168
Base-Backbone interact. energy: 1.517
local terms energy: -263.019507
where:
bonds (distance) C4'-P energy: -76.745
bonds (distance) P-C4' energy: -73.589
flat angles C4'-P-C4' energy: -61.870
flat angles P-C4'-P energy: -40.741
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 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: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -753.320846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.320846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.320846 (E_RNA)
where:
Base-Base interactions energy: -391.778
where: short stacking energy: -297.848
Base-Backbone interact. energy: -1.303
local terms energy: -360.240372
where:
bonds (distance) C4'-P energy: -90.501
bonds (distance) P-C4' energy: -77.568
flat angles C4'-P-C4' energy: -93.320
flat angles P-C4'-P energy: -43.687
tors. eta vs tors. theta energy: -55.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -632.972913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.972913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.972913 (E_RNA)
where:
Base-Base interactions energy: -278.055
where: short stacking energy: -241.088
Base-Backbone interact. energy: -0.842
local terms energy: -354.076466
where:
bonds (distance) C4'-P energy: -93.211
bonds (distance) P-C4' energy: -81.296
flat angles C4'-P-C4' energy: -75.492
flat angles P-C4'-P energy: -51.983
tors. eta vs tors. theta energy: -52.096
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: 8
Temperature: 1.100000
Total energy: -564.867678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.867678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.867678 (E_RNA)
where:
Base-Base interactions energy: -275.084
where: short stacking energy: -214.768
Base-Backbone interact. energy: -1.454
local terms energy: -288.329002
where:
bonds (distance) C4'-P energy: -61.951
bonds (distance) P-C4' energy: -88.854
flat angles C4'-P-C4' energy: -65.367
flat angles P-C4'-P energy: -41.920
tors. eta vs tors. theta energy: -30.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -481.725526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.725526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.725526 (E_RNA)
where:
Base-Base interactions energy: -181.660
where: short stacking energy: -145.472
Base-Backbone interact. energy: 3.227
local terms energy: -303.292614
where:
bonds (distance) C4'-P energy: -77.329
bonds (distance) P-C4' energy: -80.826
flat angles C4'-P-C4' energy: -75.952
flat angles P-C4'-P energy: -54.626
tors. eta vs tors. theta energy: -14.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -456.099094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.099094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.099094 (E_RNA)
where:
Base-Base interactions energy: -150.463
where: short stacking energy: -121.287
Base-Backbone interact. energy: -3.931
local terms energy: -301.705747
where:
bonds (distance) C4'-P energy: -77.214
bonds (distance) P-C4' energy: -94.989
flat angles C4'-P-C4' energy: -73.962
flat angles P-C4'-P energy: -56.042
tors. eta vs tors. theta energy: 0.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -402.871654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.871654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.871654 (E_RNA)
where:
Base-Base interactions energy: -136.202
where: short stacking energy: -120.796
Base-Backbone interact. energy: 1.661
local terms energy: -268.331326
where:
bonds (distance) C4'-P energy: -78.014
bonds (distance) P-C4' energy: -84.881
flat angles C4'-P-C4' energy: -84.323
flat angles P-C4'-P energy: -23.878
tors. eta vs tors. theta energy: 2.766
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: 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: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -720.846583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.846583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.846583 (E_RNA)
where:
Base-Base interactions energy: -314.899
where: short stacking energy: -264.772
Base-Backbone interact. energy: -0.648
local terms energy: -405.299095
where:
bonds (distance) C4'-P energy: -93.156
bonds (distance) P-C4' energy: -93.544
flat angles C4'-P-C4' energy: -105.460
flat angles P-C4'-P energy: -50.665
tors. eta vs tors. theta energy: -62.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -789.300556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.300556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.300556 (E_RNA)
where:
Base-Base interactions energy: -393.192
where: short stacking energy: -261.196
Base-Backbone interact. energy: -1.435
local terms energy: -394.673170
where:
bonds (distance) C4'-P energy: -89.478
bonds (distance) P-C4' energy: -92.981
flat angles C4'-P-C4' energy: -83.289
flat angles P-C4'-P energy: -65.984
tors. eta vs tors. theta energy: -62.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -686.982911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.982911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.982911 (E_RNA)
where:
Base-Base interactions energy: -307.735
where: short stacking energy: -271.603
Base-Backbone interact. energy: -1.133
local terms energy: -378.115480
where:
bonds (distance) C4'-P energy: -82.099
bonds (distance) P-C4' energy: -93.279
flat angles C4'-P-C4' energy: -91.942
flat angles P-C4'-P energy: -47.852
tors. eta vs tors. theta energy: -62.943
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: 6
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -638.744766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.744766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.744766 (E_RNA)
where:
Base-Base interactions energy: -298.903
where: short stacking energy: -230.453
Base-Backbone interact. energy: -0.633
local terms energy: -339.208996
where:
bonds (distance) C4'-P energy: -86.660
bonds (distance) P-C4' energy: -75.843
flat angles C4'-P-C4' energy: -79.399
flat angles P-C4'-P energy: -58.475
tors. eta vs tors. theta energy: -38.832
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: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -477.245333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.245333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.245333 (E_RNA)
where:
Base-Base interactions energy: -166.622
where: short stacking energy: -159.129
Base-Backbone interact. energy: -0.815
local terms energy: -309.807408
where:
bonds (distance) C4'-P energy: -86.017
bonds (distance) P-C4' energy: -86.823
flat angles C4'-P-C4' energy: -78.614
flat angles P-C4'-P energy: -39.221
tors. eta vs tors. theta energy: -19.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -472.248631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.248631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.248631 (E_RNA)
where:
Base-Base interactions energy: -181.124
where: short stacking energy: -160.487
Base-Backbone interact. energy: 1.549
local terms energy: -292.673295
where:
bonds (distance) C4'-P energy: -80.805
bonds (distance) P-C4' energy: -84.255
flat angles C4'-P-C4' energy: -81.772
flat angles P-C4'-P energy: -42.159
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -408.955165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.955165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.955165 (E_RNA)
where:
Base-Base interactions energy: -151.303
where: short stacking energy: -129.967
Base-Backbone interact. energy: 2.442
local terms energy: -260.093986
where:
bonds (distance) C4'-P energy: -66.157
bonds (distance) P-C4' energy: -75.827
flat angles C4'-P-C4' energy: -69.687
flat angles P-C4'-P energy: -46.440
tors. eta vs tors. theta energy: -1.984
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: 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: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -754.242948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.242948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.242948 (E_RNA)
where:
Base-Base interactions energy: -353.904
where: short stacking energy: -305.732
Base-Backbone interact. energy: -1.548
local terms energy: -398.790821
where:
bonds (distance) C4'-P energy: -81.021
bonds (distance) P-C4' energy: -93.993
flat angles C4'-P-C4' energy: -92.165
flat angles P-C4'-P energy: -53.150
tors. eta vs tors. theta energy: -78.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -741.247808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.247808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.247808 (E_RNA)
where:
Base-Base interactions energy: -357.427
where: short stacking energy: -266.165
Base-Backbone interact. energy: -2.004
local terms energy: -381.817265
where:
bonds (distance) C4'-P energy: -93.043
bonds (distance) P-C4' energy: -90.913
flat angles C4'-P-C4' energy: -85.594
flat angles P-C4'-P energy: -51.288
tors. eta vs tors. theta energy: -60.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -684.598966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.598966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.598966 (E_RNA)
where:
Base-Base interactions energy: -305.249
where: short stacking energy: -233.961
Base-Backbone interact. energy: 2.597
local terms energy: -381.947439
where:
bonds (distance) C4'-P energy: -95.798
bonds (distance) P-C4' energy: -97.237
flat angles C4'-P-C4' energy: -89.909
flat angles P-C4'-P energy: -54.357
tors. eta vs tors. theta energy: -44.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -609.501161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.501161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.501161 (E_RNA)
where:
Base-Base interactions energy: -285.806
where: short stacking energy: -210.297
Base-Backbone interact. energy: -0.743
local terms energy: -322.952811
where:
bonds (distance) C4'-P energy: -82.956
bonds (distance) P-C4' energy: -92.839
flat angles C4'-P-C4' energy: -72.400
flat angles P-C4'-P energy: -42.111
tors. eta vs tors. theta energy: -32.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -504.753911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.753911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.753911 (E_RNA)
where:
Base-Base interactions energy: -219.238
where: short stacking energy: -171.242
Base-Backbone interact. energy: -1.833
local terms energy: -283.683023
where:
bonds (distance) C4'-P energy: -70.500
bonds (distance) P-C4' energy: -78.987
flat angles C4'-P-C4' energy: -76.601
flat angles P-C4'-P energy: -46.623
tors. eta vs tors. theta energy: -10.973
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: 5
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -428.818979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.818979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.818979 (E_RNA)
where:
Base-Base interactions energy: -157.085
where: short stacking energy: -130.241
Base-Backbone interact. energy: -2.850
local terms energy: -268.884669
where:
bonds (distance) C4'-P energy: -80.940
bonds (distance) P-C4' energy: -81.743
flat angles C4'-P-C4' energy: -70.934
flat angles P-C4'-P energy: -34.844
tors. eta vs tors. theta energy: -0.424
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: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -430.023227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.023227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.023227 (E_RNA)
where:
Base-Base interactions energy: -159.548
where: short stacking energy: -148.692
Base-Backbone interact. energy: -0.619
local terms energy: -269.856185
where:
bonds (distance) C4'-P energy: -75.140
bonds (distance) P-C4' energy: -80.435
flat angles C4'-P-C4' energy: -57.575
flat angles P-C4'-P energy: -37.837
tors. eta vs tors. theta energy: -18.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 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: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -790.103370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.103370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.103370 (E_RNA)
where:
Base-Base interactions energy: -393.296
where: short stacking energy: -299.597
Base-Backbone interact. energy: -1.495
local terms energy: -395.312484
where:
bonds (distance) C4'-P energy: -88.226
bonds (distance) P-C4' energy: -96.682
flat angles C4'-P-C4' energy: -87.811
flat angles P-C4'-P energy: -62.308
tors. eta vs tors. theta energy: -60.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -791.265491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.265491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.265491 (E_RNA)
where:
Base-Base interactions energy: -414.951
where: short stacking energy: -290.503
Base-Backbone interact. energy: -0.183
local terms energy: -376.131579
where:
bonds (distance) C4'-P energy: -77.995
bonds (distance) P-C4' energy: -92.206
flat angles C4'-P-C4' energy: -85.570
flat angles P-C4'-P energy: -59.276
tors. eta vs tors. theta energy: -61.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -701.762580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.762580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.762580 (E_RNA)
where:
Base-Base interactions energy: -316.518
where: short stacking energy: -224.542
Base-Backbone interact. energy: -0.934
local terms energy: -384.311243
where:
bonds (distance) C4'-P energy: -86.730
bonds (distance) P-C4' energy: -96.432
flat angles C4'-P-C4' energy: -99.327
flat angles P-C4'-P energy: -53.204
tors. eta vs tors. theta energy: -48.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -632.854365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.854365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.854365 (E_RNA)
where:
Base-Base interactions energy: -307.392
where: short stacking energy: -208.879
Base-Backbone interact. energy: -1.921
local terms energy: -323.540918
where:
bonds (distance) C4'-P energy: -83.261
bonds (distance) P-C4' energy: -88.666
flat angles C4'-P-C4' energy: -86.763
flat angles P-C4'-P energy: -46.239
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -526.636392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.636392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.636392 (E_RNA)
where:
Base-Base interactions energy: -238.368
where: short stacking energy: -176.352
Base-Backbone interact. energy: 6.683
local terms energy: -294.952253
where:
bonds (distance) C4'-P energy: -84.698
bonds (distance) P-C4' energy: -92.773
flat angles C4'-P-C4' energy: -61.242
flat angles P-C4'-P energy: -48.629
tors. eta vs tors. theta energy: -7.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -470.469557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.469557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.469557 (E_RNA)
where:
Base-Base interactions energy: -151.569
where: short stacking energy: -138.832
Base-Backbone interact. energy: -1.666
local terms energy: -317.233891
where:
bonds (distance) C4'-P energy: -85.155
bonds (distance) P-C4' energy: -84.697
flat angles C4'-P-C4' energy: -80.715
flat angles P-C4'-P energy: -42.986
tors. eta vs tors. theta energy: -23.680
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: 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: -384.439165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.439165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.439165 (E_RNA)
where:
Base-Base interactions energy: -128.548
where: short stacking energy: -105.575
Base-Backbone interact. energy: 1.626
local terms energy: -257.517112
where:
bonds (distance) C4'-P energy: -80.704
bonds (distance) P-C4' energy: -81.850
flat angles C4'-P-C4' energy: -59.422
flat angles P-C4'-P energy: -42.461
tors. eta vs tors. theta energy: 6.919
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: 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: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -855.501645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.501645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.501645 (E_RNA)
where:
Base-Base interactions energy: -461.215
where: short stacking energy: -294.162
Base-Backbone interact. energy: 1.127
local terms energy: -395.413754
where:
bonds (distance) C4'-P energy: -89.336
bonds (distance) P-C4' energy: -79.507
flat angles C4'-P-C4' energy: -90.382
flat angles P-C4'-P energy: -70.213
tors. eta vs tors. theta energy: -65.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -828.152868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.152868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.152868 (E_RNA)
where:
Base-Base interactions energy: -402.910
where: short stacking energy: -324.462
Base-Backbone interact. energy: -2.771
local terms energy: -422.471519
where:
bonds (distance) C4'-P energy: -84.858
bonds (distance) P-C4' energy: -91.099
flat angles C4'-P-C4' energy: -97.683
flat angles P-C4'-P energy: -59.995
tors. eta vs tors. theta energy: -88.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -706.449810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.449810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.449810 (E_RNA)
where:
Base-Base interactions energy: -356.561
where: short stacking energy: -224.398
Base-Backbone interact. energy: -1.349
local terms energy: -348.539077
where:
bonds (distance) C4'-P energy: -94.583
bonds (distance) P-C4' energy: -86.557
flat angles C4'-P-C4' energy: -78.533
flat angles P-C4'-P energy: -49.016
tors. eta vs tors. theta energy: -39.849
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: 12
Temperature: 1.100000
Total energy: -676.247258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.247258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.247258 (E_RNA)
where:
Base-Base interactions energy: -349.623
where: short stacking energy: -202.024
Base-Backbone interact. energy: 0.415
local terms energy: -327.039800
where:
bonds (distance) C4'-P energy: -71.648
bonds (distance) P-C4' energy: -86.922
flat angles C4'-P-C4' energy: -83.991
flat angles P-C4'-P energy: -48.202
tors. eta vs tors. theta energy: -36.276
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: 6, replica: 7
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -525.994738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.994738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.994738 (E_RNA)
where:
Base-Base interactions energy: -228.137
where: short stacking energy: -178.641
Base-Backbone interact. energy: -0.623
local terms energy: -297.234661
where:
bonds (distance) C4'-P energy: -70.647
bonds (distance) P-C4' energy: -97.517
flat angles C4'-P-C4' energy: -80.020
flat angles P-C4'-P energy: -30.856
tors. eta vs tors. theta energy: -18.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -438.943163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.943163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.943163 (E_RNA)
where:
Base-Base interactions energy: -147.604
where: short stacking energy: -118.550
Base-Backbone interact. energy: -0.269
local terms energy: -291.070783
where:
bonds (distance) C4'-P energy: -72.580
bonds (distance) P-C4' energy: -86.127
flat angles C4'-P-C4' energy: -79.742
flat angles P-C4'-P energy: -44.570
tors. eta vs tors. theta energy: -8.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -411.351156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.351156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.351156 (E_RNA)
where:
Base-Base interactions energy: -138.335
where: short stacking energy: -107.823
Base-Backbone interact. energy: 1.308
local terms energy: -274.324089
where:
bonds (distance) C4'-P energy: -82.273
bonds (distance) P-C4' energy: -86.869
flat angles C4'-P-C4' energy: -70.739
flat angles P-C4'-P energy: -38.432
tors. eta vs tors. theta energy: 3.989
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: 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: -367.260928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.260928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.260928 (E_RNA)
where:
Base-Base interactions energy: -132.240
where: short stacking energy: -112.704
Base-Backbone interact. energy: 6.056
local terms energy: -241.076146
where:
bonds (distance) C4'-P energy: -72.792
bonds (distance) P-C4' energy: -73.413
flat angles C4'-P-C4' energy: -65.170
flat angles P-C4'-P energy: -37.517
tors. eta vs tors. theta energy: 7.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -849.154400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.154400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.154400 (E_RNA)
where:
Base-Base interactions energy: -442.100
where: short stacking energy: -267.641
Base-Backbone interact. energy: -2.529
local terms energy: -404.525070
where:
bonds (distance) C4'-P energy: -89.396
bonds (distance) P-C4' energy: -94.941
flat angles C4'-P-C4' energy: -91.971
flat angles P-C4'-P energy: -63.581
tors. eta vs tors. theta energy: -64.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -772.144913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.144913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.144913 (E_RNA)
where:
Base-Base interactions energy: -391.672
where: short stacking energy: -275.401
Base-Backbone interact. energy: -1.024
local terms energy: -379.449332
where:
bonds (distance) C4'-P energy: -96.992
bonds (distance) P-C4' energy: -82.244
flat angles C4'-P-C4' energy: -83.255
flat angles P-C4'-P energy: -60.950
tors. eta vs tors. theta energy: -56.008
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: 4, replica: 4
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -737.530047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.530047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.530047 (E_RNA)
where:
Base-Base interactions energy: -364.267
where: short stacking energy: -247.491
Base-Backbone interact. energy: 1.279
local terms energy: -374.541539
where:
bonds (distance) C4'-P energy: -90.799
bonds (distance) P-C4' energy: -91.999
flat angles C4'-P-C4' energy: -88.473
flat angles P-C4'-P energy: -58.812
tors. eta vs tors. theta energy: -44.459
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: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -692.201354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.201354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.201354 (E_RNA)
where:
Base-Base interactions energy: -323.080
where: short stacking energy: -222.327
Base-Backbone interact. energy: -2.048
local terms energy: -367.073194
where:
bonds (distance) C4'-P energy: -92.411
bonds (distance) P-C4' energy: -95.037
flat angles C4'-P-C4' energy: -89.418
flat angles P-C4'-P energy: -47.466
tors. eta vs tors. theta energy: -42.741
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: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -553.215406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.215406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.215406 (E_RNA)
where:
Base-Base interactions energy: -231.571
where: short stacking energy: -180.125
Base-Backbone interact. energy: 1.387
local terms energy: -323.031112
where:
bonds (distance) C4'-P energy: -81.520
bonds (distance) P-C4' energy: -77.294
flat angles C4'-P-C4' energy: -76.927
flat angles P-C4'-P energy: -55.436
tors. eta vs tors. theta energy: -31.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -425.614442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.614442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.614442 (E_RNA)
where:
Base-Base interactions energy: -139.178
where: short stacking energy: -138.104
Base-Backbone interact. energy: -1.379
local terms energy: -285.057286
where:
bonds (distance) C4'-P energy: -82.314
bonds (distance) P-C4' energy: -73.529
flat angles C4'-P-C4' energy: -69.272
flat angles P-C4'-P energy: -57.061
tors. eta vs tors. theta energy: -2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -403.820405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.820405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.820405 (E_RNA)
where:
Base-Base interactions energy: -125.398
where: short stacking energy: -100.888
Base-Backbone interact. energy: -3.755
local terms energy: -274.667244
where:
bonds (distance) C4'-P energy: -67.902
bonds (distance) P-C4' energy: -91.783
flat angles C4'-P-C4' energy: -70.471
flat angles P-C4'-P energy: -51.907
tors. eta vs tors. theta energy: 7.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: -345.711950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.711950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.711950 (E_RNA)
where:
Base-Base interactions energy: -114.727
where: short stacking energy: -106.209
Base-Backbone interact. energy: 1.472
local terms energy: -232.456612
where:
bonds (distance) C4'-P energy: -75.172
bonds (distance) P-C4' energy: -79.043
flat angles C4'-P-C4' energy: -55.570
flat angles P-C4'-P energy: -40.710
tors. eta vs tors. theta energy: 18.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 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: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -924.220679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.220679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.220679 (E_RNA)
where:
Base-Base interactions energy: -512.177
where: short stacking energy: -341.541
Base-Backbone interact. energy: -0.974
local terms energy: -411.069197
where:
bonds (distance) C4'-P energy: -86.377
bonds (distance) P-C4' energy: -91.926
flat angles C4'-P-C4' energy: -93.578
flat angles P-C4'-P energy: -59.354
tors. eta vs tors. theta energy: -79.834
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: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -893.054473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.054473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.054473 (E_RNA)
where:
Base-Base interactions energy: -482.410
where: short stacking energy: -308.940
Base-Backbone interact. energy: 1.081
local terms energy: -411.725889
where:
bonds (distance) C4'-P energy: -86.721
bonds (distance) P-C4' energy: -88.827
flat angles C4'-P-C4' energy: -104.171
flat angles P-C4'-P energy: -51.438
tors. eta vs tors. theta energy: -80.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -704.365266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.365266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.365266 (E_RNA)
where:
Base-Base interactions energy: -353.493
where: short stacking energy: -209.466
Base-Backbone interact. energy: -2.607
local terms energy: -348.265122
where:
bonds (distance) C4'-P energy: -79.884
bonds (distance) P-C4' energy: -86.595
flat angles C4'-P-C4' energy: -87.891
flat angles P-C4'-P energy: -55.870
tors. eta vs tors. theta energy: -38.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -681.669947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.669947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.669947 (E_RNA)
where:
Base-Base interactions energy: -351.415
where: short stacking energy: -260.855
Base-Backbone interact. energy: 2.417
local terms energy: -332.672618
where:
bonds (distance) C4'-P energy: -70.588
bonds (distance) P-C4' energy: -85.935
flat angles C4'-P-C4' energy: -75.783
flat angles P-C4'-P energy: -48.005
tors. eta vs tors. theta energy: -52.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -511.761637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.761637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.761637 (E_RNA)
where:
Base-Base interactions energy: -232.384
where: short stacking energy: -192.846
Base-Backbone interact. energy: -0.761
local terms energy: -278.616616
where:
bonds (distance) C4'-P energy: -83.467
bonds (distance) P-C4' energy: -74.076
flat angles C4'-P-C4' energy: -66.430
flat angles P-C4'-P energy: -41.177
tors. eta vs tors. theta energy: -13.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -456.542385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.542385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.542385 (E_RNA)
where:
Base-Base interactions energy: -170.954
where: short stacking energy: -135.082
Base-Backbone interact. energy: -0.618
local terms energy: -284.970319
where:
bonds (distance) C4'-P energy: -70.959
bonds (distance) P-C4' energy: -74.848
flat angles C4'-P-C4' energy: -79.383
flat angles P-C4'-P energy: -45.780
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -414.467723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.467723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.467723 (E_RNA)
where:
Base-Base interactions energy: -145.789
where: short stacking energy: -138.738
Base-Backbone interact. energy: 3.287
local terms energy: -271.965154
where:
bonds (distance) C4'-P energy: -81.129
bonds (distance) P-C4' energy: -90.876
flat angles C4'-P-C4' energy: -60.582
flat angles P-C4'-P energy: -40.383
tors. eta vs tors. theta energy: 1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -372.973445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.973445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.973445 (E_RNA)
where:
Base-Base interactions energy: -108.509
where: short stacking energy: -106.469
Base-Backbone interact. energy: 0.632
local terms energy: -265.096986
where:
bonds (distance) C4'-P energy: -84.144
bonds (distance) P-C4' energy: -81.656
flat angles C4'-P-C4' energy: -77.637
flat angles P-C4'-P energy: -39.860
tors. eta vs tors. theta energy: 18.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 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: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -918.298656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.298656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.298656 (E_RNA)
where:
Base-Base interactions energy: -474.618
where: short stacking energy: -305.739
Base-Backbone interact. energy: -0.925
local terms energy: -442.754937
where:
bonds (distance) C4'-P energy: -93.618
bonds (distance) P-C4' energy: -101.520
flat angles C4'-P-C4' energy: -99.440
flat angles P-C4'-P energy: -69.379
tors. eta vs tors. theta energy: -78.798
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: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -925.871946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.871946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.871946 (E_RNA)
where:
Base-Base interactions energy: -534.509
where: short stacking energy: -331.057
Base-Backbone interact. energy: 0.547
local terms energy: -391.909755
where:
bonds (distance) C4'-P energy: -74.499
bonds (distance) P-C4' energy: -85.750
flat angles C4'-P-C4' energy: -99.941
flat angles P-C4'-P energy: -47.644
tors. eta vs tors. theta energy: -84.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -687.532071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.532071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.532071 (E_RNA)
where:
Base-Base interactions energy: -344.888
where: short stacking energy: -234.988
Base-Backbone interact. energy: -1.411
local terms energy: -341.232628
where:
bonds (distance) C4'-P energy: -85.829
bonds (distance) P-C4' energy: -78.588
flat angles C4'-P-C4' energy: -84.285
flat angles P-C4'-P energy: -48.767
tors. eta vs tors. theta energy: -43.764
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: 5, replica: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -626.796103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.796103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.796103 (E_RNA)
where:
Base-Base interactions energy: -290.899
where: short stacking energy: -213.460
Base-Backbone interact. energy: -1.557
local terms energy: -334.340458
where:
bonds (distance) C4'-P energy: -86.767
bonds (distance) P-C4' energy: -81.352
flat angles C4'-P-C4' energy: -90.697
flat angles P-C4'-P energy: -49.523
tors. eta vs tors. theta energy: -26.001
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: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -517.043852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.043852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.043852 (E_RNA)
where:
Base-Base interactions energy: -206.127
where: short stacking energy: -151.688
Base-Backbone interact. energy: -1.575
local terms energy: -309.342319
where:
bonds (distance) C4'-P energy: -81.134
bonds (distance) P-C4' energy: -83.425
flat angles C4'-P-C4' energy: -75.366
flat angles P-C4'-P energy: -55.636
tors. eta vs tors. theta energy: -13.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -492.005840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.005840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.005840 (E_RNA)
where:
Base-Base interactions energy: -169.584
where: short stacking energy: -140.179
Base-Backbone interact. energy: 0.053
local terms energy: -322.475280
where:
bonds (distance) C4'-P energy: -84.011
bonds (distance) P-C4' energy: -96.949
flat angles C4'-P-C4' energy: -74.858
flat angles P-C4'-P energy: -55.151
tors. eta vs tors. theta energy: -11.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -443.341798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.341798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.341798 (E_RNA)
where:
Base-Base interactions energy: -150.798
where: short stacking energy: -129.959
Base-Backbone interact. energy: -0.747
local terms energy: -291.796916
where:
bonds (distance) C4'-P energy: -81.754
bonds (distance) P-C4' energy: -83.236
flat angles C4'-P-C4' energy: -73.655
flat angles P-C4'-P energy: -52.631
tors. eta vs tors. theta energy: -0.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -393.150840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.150840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.150840 (E_RNA)
where:
Base-Base interactions energy: -130.357
where: short stacking energy: -122.966
Base-Backbone interact. energy: 1.532
local terms energy: -264.325988
where:
bonds (distance) C4'-P energy: -71.041
bonds (distance) P-C4' energy: -85.363
flat angles C4'-P-C4' energy: -64.760
flat angles P-C4'-P energy: -44.045
tors. eta vs tors. theta energy: 0.884
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: 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: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1002.112520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.112520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.112520 (E_RNA)
where:
Base-Base interactions energy: -562.026
where: short stacking energy: -368.144
Base-Backbone interact. energy: -1.259
local terms energy: -438.827461
where:
bonds (distance) C4'-P energy: -94.907
bonds (distance) P-C4' energy: -91.730
flat angles C4'-P-C4' energy: -103.360
flat angles P-C4'-P energy: -51.004
tors. eta vs tors. theta energy: -97.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -945.343752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.343752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.343752 (E_RNA)
where:
Base-Base interactions energy: -509.856
where: short stacking energy: -355.950
Base-Backbone interact. energy: -0.696
local terms energy: -434.792317
where:
bonds (distance) C4'-P energy: -92.292
bonds (distance) P-C4' energy: -89.750
flat angles C4'-P-C4' energy: -99.302
flat angles P-C4'-P energy: -58.267
tors. eta vs tors. theta energy: -95.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -954.046595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.046595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.046595 (E_RNA)
where:
Base-Base interactions energy: -545.991
where: short stacking energy: -321.829
Base-Backbone interact. energy: -0.335
local terms energy: -407.720275
where:
bonds (distance) C4'-P energy: -84.039
bonds (distance) P-C4' energy: -85.200
flat angles C4'-P-C4' energy: -95.975
flat angles P-C4'-P energy: -60.319
tors. eta vs tors. theta energy: -82.187
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: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -690.161480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.161480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.161480 (E_RNA)
where:
Base-Base interactions energy: -340.499
where: short stacking energy: -240.181
Base-Backbone interact. energy: -1.084
local terms energy: -348.578457
where:
bonds (distance) C4'-P energy: -80.879
bonds (distance) P-C4' energy: -97.803
flat angles C4'-P-C4' energy: -82.128
flat angles P-C4'-P energy: -38.520
tors. eta vs tors. theta energy: -49.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -631.065329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.065329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.065329 (E_RNA)
where:
Base-Base interactions energy: -301.256
where: short stacking energy: -223.523
Base-Backbone interact. energy: -0.176
local terms energy: -329.633220
where:
bonds (distance) C4'-P energy: -85.172
bonds (distance) P-C4' energy: -88.664
flat angles C4'-P-C4' energy: -74.003
flat angles P-C4'-P energy: -42.344
tors. eta vs tors. theta energy: -39.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -505.081535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.081535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.081535 (E_RNA)
where:
Base-Base interactions energy: -201.500
where: short stacking energy: -161.976
Base-Backbone interact. energy: -0.659
local terms energy: -302.922200
where:
bonds (distance) C4'-P energy: -85.419
bonds (distance) P-C4' energy: -83.076
flat angles C4'-P-C4' energy: -73.026
flat angles P-C4'-P energy: -41.482
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -445.460283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.460283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.460283 (E_RNA)
where:
Base-Base interactions energy: -158.718
where: short stacking energy: -142.007
Base-Backbone interact. energy: 0.260
local terms energy: -287.002553
where:
bonds (distance) C4'-P energy: -94.555
bonds (distance) P-C4' energy: -75.839
flat angles C4'-P-C4' energy: -62.860
flat angles P-C4'-P energy: -46.875
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -415.380781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.380781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.380781 (E_RNA)
where:
Base-Base interactions energy: -152.032
where: short stacking energy: -130.141
Base-Backbone interact. energy: -0.156
local terms energy: -263.192333
where:
bonds (distance) C4'-P energy: -69.978
bonds (distance) P-C4' energy: -83.315
flat angles C4'-P-C4' energy: -44.886
flat angles P-C4'-P energy: -57.610
tors. eta vs tors. theta energy: -7.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 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: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -356.998834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.998834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.998834 (E_RNA)
where:
Base-Base interactions energy: -115.767
where: short stacking energy: -79.611
Base-Backbone interact. energy: -0.839
local terms energy: -240.393044
where:
bonds (distance) C4'-P energy: -74.638
bonds (distance) P-C4' energy: -76.332
flat angles C4'-P-C4' energy: -69.891
flat angles P-C4'-P energy: -37.460
tors. eta vs tors. theta energy: 17.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -998.177560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.177560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.177560 (E_RNA)
where:
Base-Base interactions energy: -550.867
where: short stacking energy: -339.866
Base-Backbone interact. energy: -0.203
local terms energy: -447.106973
where:
bonds (distance) C4'-P energy: -94.282
bonds (distance) P-C4' energy: -92.658
flat angles C4'-P-C4' energy: -106.761
flat angles P-C4'-P energy: -62.533
tors. eta vs tors. theta energy: -90.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -929.044355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.044355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.044355 (E_RNA)
where:
Base-Base interactions energy: -492.806
where: short stacking energy: -323.155
Base-Backbone interact. energy: -1.268
local terms energy: -434.970012
where:
bonds (distance) C4'-P energy: -92.066
bonds (distance) P-C4' energy: -98.492
flat angles C4'-P-C4' energy: -96.564
flat angles P-C4'-P energy: -65.162
tors. eta vs tors. theta energy: -82.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -895.284282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.284282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.284282 (E_RNA)
where:
Base-Base interactions energy: -520.615
where: short stacking energy: -282.578
Base-Backbone interact. energy: 0.324
local terms energy: -374.992927
where:
bonds (distance) C4'-P energy: -76.070
bonds (distance) P-C4' energy: -82.166
flat angles C4'-P-C4' energy: -93.820
flat angles P-C4'-P energy: -59.028
tors. eta vs tors. theta energy: -63.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -727.016238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.016238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.016238 (E_RNA)
where:
Base-Base interactions energy: -358.381
where: short stacking energy: -254.404
Base-Backbone interact. energy: 3.129
local terms energy: -371.763617
where:
bonds (distance) C4'-P energy: -86.588
bonds (distance) P-C4' energy: -91.439
flat angles C4'-P-C4' energy: -82.062
flat angles P-C4'-P energy: -63.621
tors. eta vs tors. theta energy: -48.054
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: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -542.737037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.737037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.737037 (E_RNA)
where:
Base-Base interactions energy: -243.932
where: short stacking energy: -173.958
Base-Backbone interact. energy: -0.858
local terms energy: -297.947090
where:
bonds (distance) C4'-P energy: -81.754
bonds (distance) P-C4' energy: -76.389
flat angles C4'-P-C4' energy: -79.846
flat angles P-C4'-P energy: -49.854
tors. eta vs tors. theta energy: -10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -505.756167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.756167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.756167 (E_RNA)
where:
Base-Base interactions energy: -197.164
where: short stacking energy: -177.880
Base-Backbone interact. energy: -1.715
local terms energy: -306.877304
where:
bonds (distance) C4'-P energy: -64.039
bonds (distance) P-C4' energy: -85.722
flat angles C4'-P-C4' energy: -75.377
flat angles P-C4'-P energy: -61.167
tors. eta vs tors. theta energy: -20.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -447.944942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.944942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.944942 (E_RNA)
where:
Base-Base interactions energy: -162.099
where: short stacking energy: -127.153
Base-Backbone interact. energy: 2.907
local terms energy: -288.753356
where:
bonds (distance) C4'-P energy: -78.749
bonds (distance) P-C4' energy: -85.389
flat angles C4'-P-C4' energy: -80.640
flat angles P-C4'-P energy: -44.666
tors. eta vs tors. theta energy: 0.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -430.468014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.468014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.468014 (E_RNA)
where:
Base-Base interactions energy: -163.585
where: short stacking energy: -129.946
Base-Backbone interact. energy: 0.825
local terms energy: -267.708442
where:
bonds (distance) C4'-P energy: -73.594
bonds (distance) P-C4' energy: -87.896
flat angles C4'-P-C4' energy: -64.355
flat angles P-C4'-P energy: -45.545
tors. eta vs tors. theta energy: 3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -360.937950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.937950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.937950 (E_RNA)
where:
Base-Base interactions energy: -112.205
where: short stacking energy: -77.696
Base-Backbone interact. energy: -2.166
local terms energy: -246.566446
where:
bonds (distance) C4'-P energy: -71.062
bonds (distance) P-C4' energy: -88.430
flat angles C4'-P-C4' energy: -63.651
flat angles P-C4'-P energy: -49.745
tors. eta vs tors. theta energy: 26.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -378.149307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.149307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.149307 (E_RNA)
where:
Base-Base interactions energy: -140.382
where: short stacking energy: -114.721
Base-Backbone interact. energy: -0.512
local terms energy: -237.255001
where:
bonds (distance) C4'-P energy: -70.983
bonds (distance) P-C4' energy: -82.421
flat angles C4'-P-C4' energy: -61.881
flat angles P-C4'-P energy: -34.805
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: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1009.084161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.084161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.084161 (E_RNA)
where:
Base-Base interactions energy: -571.022
where: short stacking energy: -346.598
Base-Backbone interact. energy: -1.733
local terms energy: -436.329175
where:
bonds (distance) C4'-P energy: -95.565
bonds (distance) P-C4' energy: -94.921
flat angles C4'-P-C4' energy: -93.608
flat angles P-C4'-P energy: -62.506
tors. eta vs tors. theta energy: -89.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -964.924063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.924063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.924063 (E_RNA)
where:
Base-Base interactions energy: -529.911
where: short stacking energy: -349.891
Base-Backbone interact. energy: -0.775
local terms energy: -434.237427
where:
bonds (distance) C4'-P energy: -85.313
bonds (distance) P-C4' energy: -94.576
flat angles C4'-P-C4' energy: -95.305
flat angles P-C4'-P energy: -65.813
tors. eta vs tors. theta energy: -93.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -872.040508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.040508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.040508 (E_RNA)
where:
Base-Base interactions energy: -472.509
where: short stacking energy: -300.661
Base-Backbone interact. energy: 0.512
local terms energy: -400.044144
where:
bonds (distance) C4'-P energy: -85.080
bonds (distance) P-C4' energy: -100.573
flat angles C4'-P-C4' energy: -93.381
flat angles P-C4'-P energy: -45.663
tors. eta vs tors. theta energy: -75.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -709.770132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.770132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.770132 (E_RNA)
where:
Base-Base interactions energy: -343.060
where: short stacking energy: -249.437
Base-Backbone interact. energy: 0.281
local terms energy: -366.991516
where:
bonds (distance) C4'-P energy: -76.635
bonds (distance) P-C4' energy: -94.129
flat angles C4'-P-C4' energy: -80.492
flat angles P-C4'-P energy: -49.585
tors. eta vs tors. theta energy: -66.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -552.782744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.782744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.782744 (E_RNA)
where:
Base-Base interactions energy: -220.141
where: short stacking energy: -168.310
Base-Backbone interact. energy: 0.582
local terms energy: -333.223961
where:
bonds (distance) C4'-P energy: -82.263
bonds (distance) P-C4' energy: -94.900
flat angles C4'-P-C4' energy: -89.627
flat angles P-C4'-P energy: -54.878
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -514.001774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.001774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.001774 (E_RNA)
where:
Base-Base interactions energy: -183.437
where: short stacking energy: -173.755
Base-Backbone interact. energy: -1.067
local terms energy: -329.497270
where:
bonds (distance) C4'-P energy: -78.082
bonds (distance) P-C4' energy: -95.379
flat angles C4'-P-C4' energy: -80.686
flat angles P-C4'-P energy: -53.866
tors. eta vs tors. theta energy: -21.484
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: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -467.559475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.559475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.559475 (E_RNA)
where:
Base-Base interactions energy: -184.008
where: short stacking energy: -156.954
Base-Backbone interact. energy: -0.826
local terms energy: -282.725810
where:
bonds (distance) C4'-P energy: -72.066
bonds (distance) P-C4' energy: -78.627
flat angles C4'-P-C4' energy: -82.397
flat angles P-C4'-P energy: -41.784
tors. eta vs tors. theta energy: -7.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -403.068548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.068548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.068548 (E_RNA)
where:
Base-Base interactions energy: -129.611
where: short stacking energy: -117.187
Base-Backbone interact. energy: 0.333
local terms energy: -273.790555
where:
bonds (distance) C4'-P energy: -98.305
bonds (distance) P-C4' energy: -85.278
flat angles C4'-P-C4' energy: -53.739
flat angles P-C4'-P energy: -38.077
tors. eta vs tors. theta energy: 1.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -361.943300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.943300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.943300 (E_RNA)
where:
Base-Base interactions energy: -118.226
where: short stacking energy: -106.668
Base-Backbone interact. energy: 3.750
local terms energy: -247.467212
where:
bonds (distance) C4'-P energy: -74.410
bonds (distance) P-C4' energy: -88.218
flat angles C4'-P-C4' energy: -67.037
flat angles P-C4'-P energy: -31.920
tors. eta vs tors. theta energy: 14.117
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: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -362.695792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.695792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.695792 (E_RNA)
where:
Base-Base interactions energy: -110.511
where: short stacking energy: -101.795
Base-Backbone interact. energy: -2.216
local terms energy: -249.969332
where:
bonds (distance) C4'-P energy: -73.654
bonds (distance) P-C4' energy: -81.113
flat angles C4'-P-C4' energy: -64.381
flat angles P-C4'-P energy: -39.354
tors. eta vs tors. theta energy: 8.532
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: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1012.282348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.282348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.282348 (E_RNA)
where:
Base-Base interactions energy: -565.268
where: short stacking energy: -326.948
Base-Backbone interact. energy: 1.165
local terms energy: -448.179363
where:
bonds (distance) C4'-P energy: -91.628
bonds (distance) P-C4' energy: -101.113
flat angles C4'-P-C4' energy: -95.947
flat angles P-C4'-P energy: -68.304
tors. eta vs tors. theta energy: -91.188
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: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -936.068747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.068747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.068747 (E_RNA)
where:
Base-Base interactions energy: -500.516
where: short stacking energy: -334.855
Base-Backbone interact. energy: 0.111
local terms energy: -435.663391
where:
bonds (distance) C4'-P energy: -94.800
bonds (distance) P-C4' energy: -86.103
flat angles C4'-P-C4' energy: -97.815
flat angles P-C4'-P energy: -67.947
tors. eta vs tors. theta energy: -88.999
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: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -920.253286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.253286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.253286 (E_RNA)
where:
Base-Base interactions energy: -487.008
where: short stacking energy: -324.550
Base-Backbone interact. energy: -1.987
local terms energy: -431.258719
where:
bonds (distance) C4'-P energy: -99.037
bonds (distance) P-C4' energy: -93.468
flat angles C4'-P-C4' energy: -94.359
flat angles P-C4'-P energy: -47.623
tors. eta vs tors. theta energy: -96.773
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: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -699.469557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.469557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.469557 (E_RNA)
where:
Base-Base interactions energy: -343.823
where: short stacking energy: -239.215
Base-Backbone interact. energy: -1.606
local terms energy: -354.040617
where:
bonds (distance) C4'-P energy: -81.227
bonds (distance) P-C4' energy: -85.008
flat angles C4'-P-C4' energy: -85.236
flat angles P-C4'-P energy: -55.870
tors. eta vs tors. theta energy: -46.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -583.175108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.175108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.175108 (E_RNA)
where:
Base-Base interactions energy: -257.218
where: short stacking energy: -194.056
Base-Backbone interact. energy: -0.517
local terms energy: -325.440415
where:
bonds (distance) C4'-P energy: -80.702
bonds (distance) P-C4' energy: -74.342
flat angles C4'-P-C4' energy: -82.666
flat angles P-C4'-P energy: -60.794
tors. eta vs tors. theta energy: -26.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -531.044447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.044447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.044447 (E_RNA)
where:
Base-Base interactions energy: -204.973
where: short stacking energy: -154.130
Base-Backbone interact. energy: 0.600
local terms energy: -326.670923
where:
bonds (distance) C4'-P energy: -92.099
bonds (distance) P-C4' energy: -89.037
flat angles C4'-P-C4' energy: -67.952
flat angles P-C4'-P energy: -56.343
tors. eta vs tors. theta energy: -21.239
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: 19
Temperature: 1.200000
Total energy: -423.477343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.477343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.477343 (E_RNA)
where:
Base-Base interactions energy: -133.986
where: short stacking energy: -112.940
Base-Backbone interact. energy: 0.025
local terms energy: -289.516247
where:
bonds (distance) C4'-P energy: -85.380
bonds (distance) P-C4' energy: -79.523
flat angles C4'-P-C4' energy: -83.897
flat angles P-C4'-P energy: -44.844
tors. eta vs tors. theta energy: 4.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -402.877326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.877326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.877326 (E_RNA)
where:
Base-Base interactions energy: -130.119
where: short stacking energy: -122.540
Base-Backbone interact. energy: 1.785
local terms energy: -274.542836
where:
bonds (distance) C4'-P energy: -72.291
bonds (distance) P-C4' energy: -79.839
flat angles C4'-P-C4' energy: -80.965
flat angles P-C4'-P energy: -45.445
tors. eta vs tors. theta energy: 3.996
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: 5
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -368.280972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.280972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.280972 (E_RNA)
where:
Base-Base interactions energy: -134.410
where: short stacking energy: -113.482
Base-Backbone interact. energy: 0.346
local terms energy: -234.217453
where:
bonds (distance) C4'-P energy: -71.133
bonds (distance) P-C4' energy: -63.786
flat angles C4'-P-C4' energy: -73.739
flat angles P-C4'-P energy: -42.108
tors. eta vs tors. theta energy: 16.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -344.965105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.965105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.965105 (E_RNA)
where:
Base-Base interactions energy: -119.697
where: short stacking energy: -102.016
Base-Backbone interact. energy: 1.646
local terms energy: -226.913587
where:
bonds (distance) C4'-P energy: -64.498
bonds (distance) P-C4' energy: -81.343
flat angles C4'-P-C4' energy: -64.010
flat angles P-C4'-P energy: -26.738
tors. eta vs tors. theta energy: 9.676
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: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1062.936292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.936292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.936292 (E_RNA)
where:
Base-Base interactions energy: -608.222
where: short stacking energy: -375.041
Base-Backbone interact. energy: 1.506
local terms energy: -456.220677
where:
bonds (distance) C4'-P energy: -86.190
bonds (distance) P-C4' energy: -105.433
flat angles C4'-P-C4' energy: -93.782
flat angles P-C4'-P energy: -65.628
tors. eta vs tors. theta energy: -105.188
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: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -919.246040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.246040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.246040 (E_RNA)
where:
Base-Base interactions energy: -509.632
where: short stacking energy: -332.307
Base-Backbone interact. energy: -0.002
local terms energy: -409.612455
where:
bonds (distance) C4'-P energy: -88.680
bonds (distance) P-C4' energy: -86.658
flat angles C4'-P-C4' energy: -93.542
flat angles P-C4'-P energy: -57.528
tors. eta vs tors. theta energy: -83.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -912.709133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.709133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.709133 (E_RNA)
where:
Base-Base interactions energy: -513.414
where: short stacking energy: -315.325
Base-Backbone interact. energy: -0.866
local terms energy: -398.428652
where:
bonds (distance) C4'-P energy: -75.714
bonds (distance) P-C4' energy: -86.713
flat angles C4'-P-C4' energy: -91.931
flat angles P-C4'-P energy: -62.527
tors. eta vs tors. theta energy: -81.544
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: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -741.356992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.356992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.356992 (E_RNA)
where:
Base-Base interactions energy: -378.448
where: short stacking energy: -236.290
Base-Backbone interact. energy: 2.324
local terms energy: -365.232513
where:
bonds (distance) C4'-P energy: -84.640
bonds (distance) P-C4' energy: -80.528
flat angles C4'-P-C4' energy: -85.345
flat angles P-C4'-P energy: -60.976
tors. eta vs tors. theta energy: -53.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -558.837182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.837182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.837182 (E_RNA)
where:
Base-Base interactions energy: -244.213
where: short stacking energy: -191.518
Base-Backbone interact. energy: -1.757
local terms energy: -312.866892
where:
bonds (distance) C4'-P energy: -83.919
bonds (distance) P-C4' energy: -77.206
flat angles C4'-P-C4' energy: -78.250
flat angles P-C4'-P energy: -46.573
tors. eta vs tors. theta energy: -26.919
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: 1
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -581.184214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.184214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.184214 (E_RNA)
where:
Base-Base interactions energy: -260.832
where: short stacking energy: -171.023
Base-Backbone interact. energy: -1.716
local terms energy: -318.635600
where:
bonds (distance) C4'-P energy: -81.900
bonds (distance) P-C4' energy: -87.398
flat angles C4'-P-C4' energy: -82.539
flat angles P-C4'-P energy: -38.130
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: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -482.670773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.670773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.670773 (E_RNA)
where:
Base-Base interactions energy: -184.673
where: short stacking energy: -144.741
Base-Backbone interact. energy: 1.486
local terms energy: -299.483685
where:
bonds (distance) C4'-P energy: -88.234
bonds (distance) P-C4' energy: -84.146
flat angles C4'-P-C4' energy: -78.165
flat angles P-C4'-P energy: -37.757
tors. eta vs tors. theta energy: -11.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -411.859782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.859782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.859782 (E_RNA)
where:
Base-Base interactions energy: -135.562
where: short stacking energy: -119.058
Base-Backbone interact. energy: 0.835
local terms energy: -277.133090
where:
bonds (distance) C4'-P energy: -87.782
bonds (distance) P-C4' energy: -83.152
flat angles C4'-P-C4' energy: -84.335
flat angles P-C4'-P energy: -34.898
tors. eta vs tors. theta energy: 13.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -382.657243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.657243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.657243 (E_RNA)
where:
Base-Base interactions energy: -125.785
where: short stacking energy: -119.016
Base-Backbone interact. energy: -0.694
local terms energy: -256.177710
where:
bonds (distance) C4'-P energy: -82.136
bonds (distance) P-C4' energy: -91.125
flat angles C4'-P-C4' energy: -38.811
flat angles P-C4'-P energy: -35.321
tors. eta vs tors. theta energy: -8.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -356.325591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.325591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.325591 (E_RNA)
where:
Base-Base interactions energy: -122.958
where: short stacking energy: -96.110
Base-Backbone interact. energy: 1.396
local terms energy: -234.763491
where:
bonds (distance) C4'-P energy: -76.498
bonds (distance) P-C4' energy: -80.014
flat angles C4'-P-C4' energy: -68.411
flat angles P-C4'-P energy: -28.740
tors. eta vs tors. theta energy: 18.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1028.139489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.139489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.139489 (E_RNA)
where:
Base-Base interactions energy: -582.471
where: short stacking energy: -382.881
Base-Backbone interact. energy: -1.741
local terms energy: -443.927736
where:
bonds (distance) C4'-P energy: -89.077
bonds (distance) P-C4' energy: -98.525
flat angles C4'-P-C4' energy: -96.090
flat angles P-C4'-P energy: -65.601
tors. eta vs tors. theta energy: -94.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1001.767257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.767257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.767257 (E_RNA)
where:
Base-Base interactions energy: -591.321
where: short stacking energy: -336.879
Base-Backbone interact. energy: -0.748
local terms energy: -409.698141
where:
bonds (distance) C4'-P energy: -70.812
bonds (distance) P-C4' energy: -96.550
flat angles C4'-P-C4' energy: -93.498
flat angles P-C4'-P energy: -62.959
tors. eta vs tors. theta energy: -85.878
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: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -901.400070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.400070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.400070 (E_RNA)
where:
Base-Base interactions energy: -470.376
where: short stacking energy: -332.311
Base-Backbone interact. energy: -0.223
local terms energy: -430.801258
where:
bonds (distance) C4'-P energy: -85.812
bonds (distance) P-C4' energy: -91.200
flat angles C4'-P-C4' energy: -100.924
flat angles P-C4'-P energy: -60.555
tors. eta vs tors. theta energy: -92.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -731.217176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.217176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.217176 (E_RNA)
where:
Base-Base interactions energy: -381.479
where: short stacking energy: -248.503
Base-Backbone interact. energy: -1.085
local terms energy: -348.653362
where:
bonds (distance) C4'-P energy: -76.047
bonds (distance) P-C4' energy: -96.268
flat angles C4'-P-C4' energy: -76.804
flat angles P-C4'-P energy: -53.677
tors. eta vs tors. theta energy: -45.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -575.015209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.015209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.015209 (E_RNA)
where:
Base-Base interactions energy: -251.645
where: short stacking energy: -204.048
Base-Backbone interact. energy: -0.176
local terms energy: -323.193631
where:
bonds (distance) C4'-P energy: -74.449
bonds (distance) P-C4' energy: -92.751
flat angles C4'-P-C4' energy: -73.082
flat angles P-C4'-P energy: -56.369
tors. eta vs tors. theta energy: -26.543
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: 1
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -557.116940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.116940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.116940 (E_RNA)
where:
Base-Base interactions energy: -241.394
where: short stacking energy: -173.480
Base-Backbone interact. energy: -1.260
local terms energy: -314.462738
where:
bonds (distance) C4'-P energy: -74.906
bonds (distance) P-C4' energy: -93.657
flat angles C4'-P-C4' energy: -87.886
flat angles P-C4'-P energy: -41.436
tors. eta vs tors. theta energy: -16.578
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: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -455.353321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.353321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.353321 (E_RNA)
where:
Base-Base interactions energy: -146.807
where: short stacking energy: -142.805
Base-Backbone interact. energy: 2.360
local terms energy: -310.907173
where:
bonds (distance) C4'-P energy: -84.162
bonds (distance) P-C4' energy: -98.825
flat angles C4'-P-C4' energy: -62.802
flat angles P-C4'-P energy: -47.826
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -424.861891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.861891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.861891 (E_RNA)
where:
Base-Base interactions energy: -142.893
where: short stacking energy: -101.233
Base-Backbone interact. energy: -1.539
local terms energy: -280.430130
where:
bonds (distance) C4'-P energy: -73.340
bonds (distance) P-C4' energy: -94.417
flat angles C4'-P-C4' energy: -71.975
flat angles P-C4'-P energy: -49.927
tors. eta vs tors. theta energy: 9.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -403.684122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.684122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.684122 (E_RNA)
where:
Base-Base interactions energy: -132.765
where: short stacking energy: -111.882
Base-Backbone interact. energy: 0.758
local terms energy: -271.677618
where:
bonds (distance) C4'-P energy: -71.498
bonds (distance) P-C4' energy: -76.066
flat angles C4'-P-C4' energy: -79.996
flat angles P-C4'-P energy: -44.891
tors. eta vs tors. theta energy: 0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -370.445423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.445423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.445423 (E_RNA)
where:
Base-Base interactions energy: -117.770
where: short stacking energy: -113.700
Base-Backbone interact. energy: -1.077
local terms energy: -251.598268
where:
bonds (distance) C4'-P energy: -75.728
bonds (distance) P-C4' energy: -68.807
flat angles C4'-P-C4' energy: -59.271
flat angles P-C4'-P energy: -45.657
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1038.105675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.105675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.105675 (E_RNA)
where:
Base-Base interactions energy: -608.132
where: short stacking energy: -386.658
Base-Backbone interact. energy: 0.145
local terms energy: -430.118141
where:
bonds (distance) C4'-P energy: -85.524
bonds (distance) P-C4' energy: -90.916
flat angles C4'-P-C4' energy: -106.151
flat angles P-C4'-P energy: -55.984
tors. eta vs tors. theta energy: -91.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1025.517630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.517630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.517630 (E_RNA)
where:
Base-Base interactions energy: -598.847
where: short stacking energy: -345.418
Base-Backbone interact. energy: -1.619
local terms energy: -425.051631
where:
bonds (distance) C4'-P energy: -87.693
bonds (distance) P-C4' energy: -83.050
flat angles C4'-P-C4' energy: -95.663
flat angles P-C4'-P energy: -66.772
tors. eta vs tors. theta energy: -91.874
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: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -872.060040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.060040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.060040 (E_RNA)
where:
Base-Base interactions energy: -465.444
where: short stacking energy: -299.988
Base-Backbone interact. energy: 0.173
local terms energy: -406.788528
where:
bonds (distance) C4'-P energy: -81.317
bonds (distance) P-C4' energy: -95.750
flat angles C4'-P-C4' energy: -90.450
flat angles P-C4'-P energy: -61.606
tors. eta vs tors. theta energy: -77.665
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: 22
Temperature: 1.050000
Total energy: -744.587890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.587890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.587890 (E_RNA)
where:
Base-Base interactions energy: -377.482
where: short stacking energy: -257.512
Base-Backbone interact. energy: -0.720
local terms energy: -366.386494
where:
bonds (distance) C4'-P energy: -92.441
bonds (distance) P-C4' energy: -73.013
flat angles C4'-P-C4' energy: -99.739
flat angles P-C4'-P energy: -53.453
tors. eta vs tors. theta energy: -47.741
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: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -636.118294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.118294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.118294 (E_RNA)
where:
Base-Base interactions energy: -308.353
where: short stacking energy: -243.123
Base-Backbone interact. energy: -1.443
local terms energy: -326.322356
where:
bonds (distance) C4'-P energy: -73.972
bonds (distance) P-C4' energy: -87.396
flat angles C4'-P-C4' energy: -71.860
flat angles P-C4'-P energy: -52.068
tors. eta vs tors. theta energy: -41.026
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: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -503.598230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.598230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.598230 (E_RNA)
where:
Base-Base interactions energy: -180.692
where: short stacking energy: -156.278
Base-Backbone interact. energy: 2.742
local terms energy: -325.647776
where:
bonds (distance) C4'-P energy: -83.590
bonds (distance) P-C4' energy: -90.273
flat angles C4'-P-C4' energy: -74.801
flat angles P-C4'-P energy: -54.157
tors. eta vs tors. theta energy: -22.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -474.081644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.081644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.081644 (E_RNA)
where:
Base-Base interactions energy: -181.530
where: short stacking energy: -140.665
Base-Backbone interact. energy: 3.954
local terms energy: -296.506360
where:
bonds (distance) C4'-P energy: -70.647
bonds (distance) P-C4' energy: -83.347
flat angles C4'-P-C4' energy: -83.384
flat angles P-C4'-P energy: -51.294
tors. eta vs tors. theta energy: -7.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -386.442885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.442885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.442885 (E_RNA)
where:
Base-Base interactions energy: -131.816
where: short stacking energy: -122.744
Base-Backbone interact. energy: -0.551
local terms energy: -254.076337
where:
bonds (distance) C4'-P energy: -70.725
bonds (distance) P-C4' energy: -89.518
flat angles C4'-P-C4' energy: -53.367
flat angles P-C4'-P energy: -44.230
tors. eta vs tors. theta energy: 3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -394.278012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.278012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.278012 (E_RNA)
where:
Base-Base interactions energy: -133.679
where: short stacking energy: -102.789
Base-Backbone interact. energy: 0.086
local terms energy: -260.684555
where:
bonds (distance) C4'-P energy: -93.952
bonds (distance) P-C4' energy: -68.124
flat angles C4'-P-C4' energy: -57.580
flat angles P-C4'-P energy: -46.690
tors. eta vs tors. theta energy: 5.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -361.709824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.709824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.709824 (E_RNA)
where:
Base-Base interactions energy: -133.086
where: short stacking energy: -99.785
Base-Backbone interact. energy: -0.092
local terms energy: -228.531532
where:
bonds (distance) C4'-P energy: -62.698
bonds (distance) P-C4' energy: -77.056
flat angles C4'-P-C4' energy: -58.733
flat angles P-C4'-P energy: -45.574
tors. eta vs tors. theta energy: 15.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1034.927517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.927517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.927517 (E_RNA)
where:
Base-Base interactions energy: -571.939
where: short stacking energy: -358.835
Base-Backbone interact. energy: -2.723
local terms energy: -460.266145
where:
bonds (distance) C4'-P energy: -96.507
bonds (distance) P-C4' energy: -101.430
flat angles C4'-P-C4' energy: -97.331
flat angles P-C4'-P energy: -69.096
tors. eta vs tors. theta energy: -95.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1016.175474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.175474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.175474 (E_RNA)
where:
Base-Base interactions energy: -592.840
where: short stacking energy: -334.270
Base-Backbone interact. energy: -0.390
local terms energy: -422.944865
where:
bonds (distance) C4'-P energy: -75.748
bonds (distance) P-C4' energy: -96.280
flat angles C4'-P-C4' energy: -100.315
flat angles P-C4'-P energy: -55.654
tors. eta vs tors. theta energy: -94.948
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: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -858.703603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.703603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.703603 (E_RNA)
where:
Base-Base interactions energy: -440.908
where: short stacking energy: -311.362
Base-Backbone interact. energy: -0.548
local terms energy: -417.247154
where:
bonds (distance) C4'-P energy: -91.474
bonds (distance) P-C4' energy: -91.957
flat angles C4'-P-C4' energy: -101.005
flat angles P-C4'-P energy: -58.784
tors. eta vs tors. theta energy: -74.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -767.215474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.215474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.215474 (E_RNA)
where:
Base-Base interactions energy: -381.012
where: short stacking energy: -249.438
Base-Backbone interact. energy: -0.442
local terms energy: -385.761632
where:
bonds (distance) C4'-P energy: -98.922
bonds (distance) P-C4' energy: -95.073
flat angles C4'-P-C4' energy: -78.379
flat angles P-C4'-P energy: -52.330
tors. eta vs tors. theta energy: -61.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -570.686012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.686012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.686012 (E_RNA)
where:
Base-Base interactions energy: -264.879
where: short stacking energy: -175.267
Base-Backbone interact. energy: 2.583
local terms energy: -308.390069
where:
bonds (distance) C4'-P energy: -76.863
bonds (distance) P-C4' energy: -87.793
flat angles C4'-P-C4' energy: -75.075
flat angles P-C4'-P energy: -50.310
tors. eta vs tors. theta energy: -18.349
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: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -478.034075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.034075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.034075 (E_RNA)
where:
Base-Base interactions energy: -181.969
where: short stacking energy: -181.208
Base-Backbone interact. energy: 1.445
local terms energy: -297.509912
where:
bonds (distance) C4'-P energy: -78.523
bonds (distance) P-C4' energy: -86.841
flat angles C4'-P-C4' energy: -81.654
flat angles P-C4'-P energy: -40.771
tors. eta vs tors. theta energy: -9.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -447.155950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.155950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.155950 (E_RNA)
where:
Base-Base interactions energy: -164.183
where: short stacking energy: -128.765
Base-Backbone interact. energy: -0.265
local terms energy: -282.707596
where:
bonds (distance) C4'-P energy: -73.278
bonds (distance) P-C4' energy: -83.561
flat angles C4'-P-C4' energy: -70.807
flat angles P-C4'-P energy: -48.373
tors. eta vs tors. theta energy: -6.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -421.778377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.778377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.778377 (E_RNA)
where:
Base-Base interactions energy: -162.336
where: short stacking energy: -132.307
Base-Backbone interact. energy: 4.975
local terms energy: -264.417341
where:
bonds (distance) C4'-P energy: -70.682
bonds (distance) P-C4' energy: -72.825
flat angles C4'-P-C4' energy: -79.653
flat angles P-C4'-P energy: -36.202
tors. eta vs tors. theta energy: -5.056
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: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -383.344313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.344313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.344313 (E_RNA)
where:
Base-Base interactions energy: -139.149
where: short stacking energy: -106.195
Base-Backbone interact. energy: -0.528
local terms energy: -243.667442
where:
bonds (distance) C4'-P energy: -68.064
bonds (distance) P-C4' energy: -70.433
flat angles C4'-P-C4' energy: -65.241
flat angles P-C4'-P energy: -28.357
tors. eta vs tors. theta energy: -11.572
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: 5
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -358.417044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.417044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.417044 (E_RNA)
where:
Base-Base interactions energy: -121.864
where: short stacking energy: -101.114
Base-Backbone interact. energy: -1.340
local terms energy: -235.213509
where:
bonds (distance) C4'-P energy: -66.114
bonds (distance) P-C4' energy: -68.292
flat angles C4'-P-C4' energy: -72.549
flat angles P-C4'-P energy: -35.863
tors. eta vs tors. theta energy: 7.605
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: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1041.714344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.714344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.714344 (E_RNA)
where:
Base-Base interactions energy: -581.398
where: short stacking energy: -361.844
Base-Backbone interact. energy: -1.286
local terms energy: -459.031096
where:
bonds (distance) C4'-P energy: -93.671
bonds (distance) P-C4' energy: -97.862
flat angles C4'-P-C4' energy: -101.558
flat angles P-C4'-P energy: -65.815
tors. eta vs tors. theta energy: -100.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1022.875473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.875473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.875473 (E_RNA)
where:
Base-Base interactions energy: -576.070
where: short stacking energy: -345.595
Base-Backbone interact. energy: -0.728
local terms energy: -446.077756
where:
bonds (distance) C4'-P energy: -100.095
bonds (distance) P-C4' energy: -93.865
flat angles C4'-P-C4' energy: -99.997
flat angles P-C4'-P energy: -61.625
tors. eta vs tors. theta energy: -90.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -850.763934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.763934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.763934 (E_RNA)
where:
Base-Base interactions energy: -427.364
where: short stacking energy: -313.791
Base-Backbone interact. energy: -0.675
local terms energy: -422.724550
where:
bonds (distance) C4'-P energy: -81.511
bonds (distance) P-C4' energy: -94.122
flat angles C4'-P-C4' energy: -100.763
flat angles P-C4'-P energy: -55.293
tors. eta vs tors. theta energy: -91.036
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: 6
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -760.699653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.699653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.699653 (E_RNA)
where:
Base-Base interactions energy: -359.904
where: short stacking energy: -262.648
Base-Backbone interact. energy: -0.303
local terms energy: -400.493064
where:
bonds (distance) C4'-P energy: -97.491
bonds (distance) P-C4' energy: -86.105
flat angles C4'-P-C4' energy: -88.694
flat angles P-C4'-P energy: -65.579
tors. eta vs tors. theta energy: -62.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -587.509276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.509276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.509276 (E_RNA)
where:
Base-Base interactions energy: -252.404
where: short stacking energy: -191.098
Base-Backbone interact. energy: -1.134
local terms energy: -333.971005
where:
bonds (distance) C4'-P energy: -93.161
bonds (distance) P-C4' energy: -71.702
flat angles C4'-P-C4' energy: -85.037
flat angles P-C4'-P energy: -46.891
tors. eta vs tors. theta energy: -37.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -545.219150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.219150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.219150 (E_RNA)
where:
Base-Base interactions energy: -217.462
where: short stacking energy: -174.479
Base-Backbone interact. energy: -0.972
local terms energy: -326.784784
where:
bonds (distance) C4'-P energy: -76.131
bonds (distance) P-C4' energy: -96.264
flat angles C4'-P-C4' energy: -77.989
flat angles P-C4'-P energy: -44.678
tors. eta vs tors. theta energy: -31.722
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: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -456.188318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.188318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.188318 (E_RNA)
where:
Base-Base interactions energy: -173.258
where: short stacking energy: -146.897
Base-Backbone interact. energy: -0.364
local terms energy: -282.565626
where:
bonds (distance) C4'-P energy: -73.246
bonds (distance) P-C4' energy: -88.675
flat angles C4'-P-C4' energy: -77.211
flat angles P-C4'-P energy: -29.805
tors. eta vs tors. theta energy: -13.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -441.580037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.580037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.580037 (E_RNA)
where:
Base-Base interactions energy: -147.888
where: short stacking energy: -113.116
Base-Backbone interact. energy: -2.476
local terms energy: -291.216075
where:
bonds (distance) C4'-P energy: -77.353
bonds (distance) P-C4' energy: -80.989
flat angles C4'-P-C4' energy: -81.589
flat angles P-C4'-P energy: -45.733
tors. eta vs tors. theta energy: -5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -425.794049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.794049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.794049 (E_RNA)
where:
Base-Base interactions energy: -167.729
where: short stacking energy: -126.143
Base-Backbone interact. energy: 1.996
local terms energy: -260.061440
where:
bonds (distance) C4'-P energy: -82.963
bonds (distance) P-C4' energy: -69.659
flat angles C4'-P-C4' energy: -64.735
flat angles P-C4'-P energy: -43.768
tors. eta vs tors. theta energy: 1.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -356.811960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.811960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.811960 (E_RNA)
where:
Base-Base interactions energy: -111.667
where: short stacking energy: -108.039
Base-Backbone interact. energy: -2.958
local terms energy: -242.186808
where:
bonds (distance) C4'-P energy: -75.943
bonds (distance) P-C4' energy: -82.270
flat angles C4'-P-C4' energy: -56.132
flat angles P-C4'-P energy: -24.315
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1019.230195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.230195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.230195 (E_RNA)
where:
Base-Base interactions energy: -579.944
where: short stacking energy: -332.665
Base-Backbone interact. energy: -1.801
local terms energy: -437.484717
where:
bonds (distance) C4'-P energy: -97.845
bonds (distance) P-C4' energy: -95.479
flat angles C4'-P-C4' energy: -94.459
flat angles P-C4'-P energy: -63.366
tors. eta vs tors. theta energy: -86.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1020.221400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.221400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.221400 (E_RNA)
where:
Base-Base interactions energy: -587.445
where: short stacking energy: -358.608
Base-Backbone interact. energy: 1.633
local terms energy: -434.408832
where:
bonds (distance) C4'-P energy: -89.390
bonds (distance) P-C4' energy: -98.334
flat angles C4'-P-C4' energy: -91.071
flat angles P-C4'-P energy: -55.156
tors. eta vs tors. theta energy: -100.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -860.719175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.719175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.719175 (E_RNA)
where:
Base-Base interactions energy: -443.200
where: short stacking energy: -312.777
Base-Backbone interact. energy: 0.575
local terms energy: -418.094518
where:
bonds (distance) C4'-P energy: -91.847
bonds (distance) P-C4' energy: -100.939
flat angles C4'-P-C4' energy: -89.870
flat angles P-C4'-P energy: -56.670
tors. eta vs tors. theta energy: -78.768
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: 4, replica: 6
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -739.956740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.956740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.956740 (E_RNA)
where:
Base-Base interactions energy: -363.391
where: short stacking energy: -259.417
Base-Backbone interact. energy: 0.165
local terms energy: -376.731257
where:
bonds (distance) C4'-P energy: -82.665
bonds (distance) P-C4' energy: -89.361
flat angles C4'-P-C4' energy: -85.256
flat angles P-C4'-P energy: -60.250
tors. eta vs tors. theta energy: -59.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -580.481700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.481700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.481700 (E_RNA)
where:
Base-Base interactions energy: -247.154
where: short stacking energy: -208.464
Base-Backbone interact. energy: 1.731
local terms energy: -335.058293
where:
bonds (distance) C4'-P energy: -96.159
bonds (distance) P-C4' energy: -87.329
flat angles C4'-P-C4' energy: -76.332
flat angles P-C4'-P energy: -49.335
tors. eta vs tors. theta energy: -25.904
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: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -507.675870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.675870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.675870 (E_RNA)
where:
Base-Base interactions energy: -193.714
where: short stacking energy: -164.093
Base-Backbone interact. energy: 0.087
local terms energy: -314.048195
where:
bonds (distance) C4'-P energy: -89.339
bonds (distance) P-C4' energy: -81.423
flat angles C4'-P-C4' energy: -86.704
flat angles P-C4'-P energy: -49.804
tors. eta vs tors. theta energy: -6.778
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: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -430.131203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.131203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.131203 (E_RNA)
where:
Base-Base interactions energy: -161.787
where: short stacking energy: -119.027
Base-Backbone interact. energy: -1.290
local terms energy: -267.054200
where:
bonds (distance) C4'-P energy: -84.530
bonds (distance) P-C4' energy: -95.169
flat angles C4'-P-C4' energy: -60.275
flat angles P-C4'-P energy: -41.748
tors. eta vs tors. theta energy: 14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -439.027586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.027586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.027586 (E_RNA)
where:
Base-Base interactions energy: -152.616
where: short stacking energy: -113.224
Base-Backbone interact. energy: 1.252
local terms energy: -287.663711
where:
bonds (distance) C4'-P energy: -77.002
bonds (distance) P-C4' energy: -89.193
flat angles C4'-P-C4' energy: -72.411
flat angles P-C4'-P energy: -54.239
tors. eta vs tors. theta energy: 5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -377.328134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.328134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.328134 (E_RNA)
where:
Base-Base interactions energy: -128.321
where: short stacking energy: -117.405
Base-Backbone interact. energy: -0.109
local terms energy: -248.898068
where:
bonds (distance) C4'-P energy: -66.585
bonds (distance) P-C4' energy: -73.359
flat angles C4'-P-C4' energy: -64.933
flat angles P-C4'-P energy: -47.532
tors. eta vs tors. theta energy: 3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -333.622709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.622709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.622709 (E_RNA)
where:
Base-Base interactions energy: -98.545
where: short stacking energy: -87.318
Base-Backbone interact. energy: -0.959
local terms energy: -234.119202
where:
bonds (distance) C4'-P energy: -64.443
bonds (distance) P-C4' energy: -76.780
flat angles C4'-P-C4' energy: -72.827
flat angles P-C4'-P energy: -47.745
tors. eta vs tors. theta energy: 27.676
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: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1009.836034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.836034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.836034 (E_RNA)
where:
Base-Base interactions energy: -584.552
where: short stacking energy: -346.570
Base-Backbone interact. energy: -1.548
local terms energy: -423.736461
where:
bonds (distance) C4'-P energy: -92.933
bonds (distance) P-C4' energy: -85.683
flat angles C4'-P-C4' energy: -100.677
flat angles P-C4'-P energy: -60.904
tors. eta vs tors. theta energy: -83.540
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: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1011.075571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.075571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.075571 (E_RNA)
where:
Base-Base interactions energy: -575.912
where: short stacking energy: -349.954
Base-Backbone interact. energy: 0.021
local terms energy: -435.184591
where:
bonds (distance) C4'-P energy: -89.350
bonds (distance) P-C4' energy: -87.538
flat angles C4'-P-C4' energy: -99.126
flat angles P-C4'-P energy: -68.380
tors. eta vs tors. theta energy: -90.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -812.442230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.442230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.442230 (E_RNA)
where:
Base-Base interactions energy: -421.413
where: short stacking energy: -283.877
Base-Backbone interact. energy: 0.863
local terms energy: -391.892557
where:
bonds (distance) C4'-P energy: -86.794
bonds (distance) P-C4' energy: -90.200
flat angles C4'-P-C4' energy: -96.704
flat angles P-C4'-P energy: -42.495
tors. eta vs tors. theta energy: -75.699
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: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -763.944896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.944896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.944896 (E_RNA)
where:
Base-Base interactions energy: -381.785
where: short stacking energy: -248.604
Base-Backbone interact. energy: -2.303
local terms energy: -379.857319
where:
bonds (distance) C4'-P energy: -97.817
bonds (distance) P-C4' energy: -98.519
flat angles C4'-P-C4' energy: -84.167
flat angles P-C4'-P energy: -50.020
tors. eta vs tors. theta energy: -49.335
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: 5, replica: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -565.722222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.722222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.722222 (E_RNA)
where:
Base-Base interactions energy: -215.516
where: short stacking energy: -200.781
Base-Backbone interact. energy: -0.383
local terms energy: -349.823432
where:
bonds (distance) C4'-P energy: -89.827
bonds (distance) P-C4' energy: -98.635
flat angles C4'-P-C4' energy: -66.607
flat angles P-C4'-P energy: -52.104
tors. eta vs tors. theta energy: -42.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -500.437013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.437013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.437013 (E_RNA)
where:
Base-Base interactions energy: -173.601
where: short stacking energy: -147.289
Base-Backbone interact. energy: 1.378
local terms energy: -328.213763
where:
bonds (distance) C4'-P energy: -86.084
bonds (distance) P-C4' energy: -101.010
flat angles C4'-P-C4' energy: -85.721
flat angles P-C4'-P energy: -41.508
tors. eta vs tors. theta energy: -13.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -456.226139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.226139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.226139 (E_RNA)
where:
Base-Base interactions energy: -176.227
where: short stacking energy: -158.738
Base-Backbone interact. energy: 1.138
local terms energy: -281.137257
where:
bonds (distance) C4'-P energy: -83.310
bonds (distance) P-C4' energy: -81.688
flat angles C4'-P-C4' energy: -78.639
flat angles P-C4'-P energy: -28.763
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: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -426.464974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.464974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.464974 (E_RNA)
where:
Base-Base interactions energy: -182.089
where: short stacking energy: -137.929
Base-Backbone interact. energy: -0.904
local terms energy: -243.472746
where:
bonds (distance) C4'-P energy: -69.734
bonds (distance) P-C4' energy: -83.779
flat angles C4'-P-C4' energy: -63.830
flat angles P-C4'-P energy: -35.705
tors. eta vs tors. theta energy: 9.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -383.620125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.620125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.620125 (E_RNA)
where:
Base-Base interactions energy: -132.108
where: short stacking energy: -121.760
Base-Backbone interact. energy: 2.472
local terms energy: -253.984041
where:
bonds (distance) C4'-P energy: -72.001
bonds (distance) P-C4' energy: -63.918
flat angles C4'-P-C4' energy: -73.372
flat angles P-C4'-P energy: -40.284
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: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -338.848562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.848562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.848562 (E_RNA)
where:
Base-Base interactions energy: -108.405
where: short stacking energy: -102.636
Base-Backbone interact. energy: 1.301
local terms energy: -231.744741
where:
bonds (distance) C4'-P energy: -62.334
bonds (distance) P-C4' energy: -93.444
flat angles C4'-P-C4' energy: -52.481
flat angles P-C4'-P energy: -42.744
tors. eta vs tors. theta energy: 19.259
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: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1042.592425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.592425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.592425 (E_RNA)
where:
Base-Base interactions energy: -607.354
where: short stacking energy: -353.641
Base-Backbone interact. energy: -1.510
local terms energy: -433.727787
where:
bonds (distance) C4'-P energy: -90.282
bonds (distance) P-C4' energy: -99.927
flat angles C4'-P-C4' energy: -93.069
flat angles P-C4'-P energy: -56.831
tors. eta vs tors. theta energy: -93.618
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: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1003.190060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.190060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.190060 (E_RNA)
where:
Base-Base interactions energy: -560.172
where: short stacking energy: -341.044
Base-Backbone interact. energy: -1.682
local terms energy: -441.335829
where:
bonds (distance) C4'-P energy: -96.005
bonds (distance) P-C4' energy: -87.848
flat angles C4'-P-C4' energy: -98.528
flat angles P-C4'-P energy: -65.991
tors. eta vs tors. theta energy: -92.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -874.468112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.468112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.468112 (E_RNA)
where:
Base-Base interactions energy: -460.877
where: short stacking energy: -280.754
Base-Backbone interact. energy: -2.053
local terms energy: -411.538033
where:
bonds (distance) C4'-P energy: -104.607
bonds (distance) P-C4' energy: -98.983
flat angles C4'-P-C4' energy: -99.098
flat angles P-C4'-P energy: -38.128
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: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -730.455656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.455656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.455656 (E_RNA)
where:
Base-Base interactions energy: -358.287
where: short stacking energy: -245.077
Base-Backbone interact. energy: -1.411
local terms energy: -370.758156
where:
bonds (distance) C4'-P energy: -92.659
bonds (distance) P-C4' energy: -89.806
flat angles C4'-P-C4' energy: -87.280
flat angles P-C4'-P energy: -49.800
tors. eta vs tors. theta energy: -51.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -560.590516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.590516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.590516 (E_RNA)
where:
Base-Base interactions energy: -248.004
where: short stacking energy: -176.931
Base-Backbone interact. energy: -1.095
local terms energy: -311.491206
where:
bonds (distance) C4'-P energy: -85.934
bonds (distance) P-C4' energy: -91.327
flat angles C4'-P-C4' energy: -73.455
flat angles P-C4'-P energy: -38.635
tors. eta vs tors. theta energy: -22.139
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: 6, replica: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -498.158387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.158387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.158387 (E_RNA)
where:
Base-Base interactions energy: -211.034
where: short stacking energy: -166.764
Base-Backbone interact. energy: -1.182
local terms energy: -285.942356
where:
bonds (distance) C4'-P energy: -71.767
bonds (distance) P-C4' energy: -88.316
flat angles C4'-P-C4' energy: -66.961
flat angles P-C4'-P energy: -37.555
tors. eta vs tors. theta energy: -21.343
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: 7, replica: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -450.909822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.909822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.909822 (E_RNA)
where:
Base-Base interactions energy: -161.507
where: short stacking energy: -142.103
Base-Backbone interact. energy: -0.490
local terms energy: -288.913762
where:
bonds (distance) C4'-P energy: -83.469
bonds (distance) P-C4' energy: -80.943
flat angles C4'-P-C4' energy: -84.860
flat angles P-C4'-P energy: -38.897
tors. eta vs tors. theta energy: -0.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -419.274722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.274722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.274722 (E_RNA)
where:
Base-Base interactions energy: -137.023
where: short stacking energy: -122.138
Base-Backbone interact. energy: 0.555
local terms energy: -282.806666
where:
bonds (distance) C4'-P energy: -83.828
bonds (distance) P-C4' energy: -81.431
flat angles C4'-P-C4' energy: -74.602
flat angles P-C4'-P energy: -36.002
tors. eta vs tors. theta energy: -6.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -369.071422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.071422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.071422 (E_RNA)
where:
Base-Base interactions energy: -134.285
where: short stacking energy: -109.395
Base-Backbone interact. energy: -0.021
local terms energy: -234.765912
where:
bonds (distance) C4'-P energy: -70.541
bonds (distance) P-C4' energy: -78.367
flat angles C4'-P-C4' energy: -67.390
flat angles P-C4'-P energy: -37.418
tors. eta vs tors. theta energy: 18.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -359.588133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.588133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.588133 (E_RNA)
where:
Base-Base interactions energy: -134.044
where: short stacking energy: -115.681
Base-Backbone interact. energy: -1.059
local terms energy: -224.485009
where:
bonds (distance) C4'-P energy: -64.555
bonds (distance) P-C4' energy: -77.955
flat angles C4'-P-C4' energy: -47.954
flat angles P-C4'-P energy: -44.291
tors. eta vs tors. theta energy: 10.270
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: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1047.441603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.441603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.441603 (E_RNA)
where:
Base-Base interactions energy: -596.590
where: short stacking energy: -368.783
Base-Backbone interact. energy: -1.567
local terms energy: -449.284974
where:
bonds (distance) C4'-P energy: -96.907
bonds (distance) P-C4' energy: -90.711
flat angles C4'-P-C4' energy: -98.169
flat angles P-C4'-P energy: -63.214
tors. eta vs tors. theta energy: -100.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -971.890124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.890124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.890124 (E_RNA)
where:
Base-Base interactions energy: -524.451
where: short stacking energy: -328.670
Base-Backbone interact. energy: -1.091
local terms energy: -446.347483
where:
bonds (distance) C4'-P energy: -97.305
bonds (distance) P-C4' energy: -93.760
flat angles C4'-P-C4' energy: -98.552
flat angles P-C4'-P energy: -68.989
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: 3, replica: 6
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -904.623004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.623004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.623004 (E_RNA)
where:
Base-Base interactions energy: -504.439
where: short stacking energy: -324.245
Base-Backbone interact. energy: -1.856
local terms energy: -398.327426
where:
bonds (distance) C4'-P energy: -86.281
bonds (distance) P-C4' energy: -87.332
flat angles C4'-P-C4' energy: -92.699
flat angles P-C4'-P energy: -59.687
tors. eta vs tors. theta energy: -72.327
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: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -730.606956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.606956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.606956 (E_RNA)
where:
Base-Base interactions energy: -354.154
where: short stacking energy: -256.674
Base-Backbone interact. energy: 1.165
local terms energy: -377.617570
where:
bonds (distance) C4'-P energy: -91.106
bonds (distance) P-C4' energy: -85.648
flat angles C4'-P-C4' energy: -89.934
flat angles P-C4'-P energy: -51.014
tors. eta vs tors. theta energy: -59.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -586.525875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.525875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.525875 (E_RNA)
where:
Base-Base interactions energy: -266.723
where: short stacking energy: -217.333
Base-Backbone interact. energy: -0.739
local terms energy: -319.064236
where:
bonds (distance) C4'-P energy: -80.687
bonds (distance) P-C4' energy: -81.824
flat angles C4'-P-C4' energy: -83.219
flat angles P-C4'-P energy: -40.581
tors. eta vs tors. theta energy: -32.754
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: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -511.063431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.063431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.063431 (E_RNA)
where:
Base-Base interactions energy: -193.931
where: short stacking energy: -161.891
Base-Backbone interact. energy: 0.311
local terms energy: -317.443255
where:
bonds (distance) C4'-P energy: -86.928
bonds (distance) P-C4' energy: -93.814
flat angles C4'-P-C4' energy: -74.964
flat angles P-C4'-P energy: -52.240
tors. eta vs tors. theta energy: -9.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -464.773597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.773597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.773597 (E_RNA)
where:
Base-Base interactions energy: -163.736
where: short stacking energy: -141.901
Base-Backbone interact. energy: 3.188
local terms energy: -304.225128
where:
bonds (distance) C4'-P energy: -89.763
bonds (distance) P-C4' energy: -77.076
flat angles C4'-P-C4' energy: -77.253
flat angles P-C4'-P energy: -46.661
tors. eta vs tors. theta energy: -13.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -407.942194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.942194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.942194 (E_RNA)
where:
Base-Base interactions energy: -148.133
where: short stacking energy: -133.859
Base-Backbone interact. energy: -0.194
local terms energy: -259.614718
where:
bonds (distance) C4'-P energy: -75.650
bonds (distance) P-C4' energy: -77.479
flat angles C4'-P-C4' energy: -62.832
flat angles P-C4'-P energy: -50.206
tors. eta vs tors. theta energy: 6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -393.799571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.799571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.799571 (E_RNA)
where:
Base-Base interactions energy: -133.574
where: short stacking energy: -125.359
Base-Backbone interact. energy: -0.714
local terms energy: -259.510980
where:
bonds (distance) C4'-P energy: -68.362
bonds (distance) P-C4' energy: -85.356
flat angles C4'-P-C4' energy: -73.963
flat angles P-C4'-P energy: -32.582
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: 5
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -358.346485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.346485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.346485 (E_RNA)
where:
Base-Base interactions energy: -93.670
where: short stacking energy: -88.941
Base-Backbone interact. energy: 2.046
local terms energy: -266.722599
where:
bonds (distance) C4'-P energy: -67.039
bonds (distance) P-C4' energy: -76.918
flat angles C4'-P-C4' energy: -78.083
flat angles P-C4'-P energy: -52.724
tors. eta vs tors. theta energy: 8.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1017.464655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.464655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.464655 (E_RNA)
where:
Base-Base interactions energy: -582.283
where: short stacking energy: -345.635
Base-Backbone interact. energy: -1.144
local terms energy: -434.037283
where:
bonds (distance) C4'-P energy: -94.894
bonds (distance) P-C4' energy: -83.609
flat angles C4'-P-C4' energy: -110.395
flat angles P-C4'-P energy: -50.526
tors. eta vs tors. theta energy: -94.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1008.746139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.746139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.746139 (E_RNA)
where:
Base-Base interactions energy: -591.396
where: short stacking energy: -351.159
Base-Backbone interact. energy: 2.741
local terms energy: -420.091556
where:
bonds (distance) C4'-P energy: -85.573
bonds (distance) P-C4' energy: -92.545
flat angles C4'-P-C4' energy: -94.939
flat angles P-C4'-P energy: -57.179
tors. eta vs tors. theta energy: -89.856
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: 6
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -858.404322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.404322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.404322 (E_RNA)
where:
Base-Base interactions energy: -476.792
where: short stacking energy: -297.071
Base-Backbone interact. energy: 3.414
local terms energy: -385.026369
where:
bonds (distance) C4'-P energy: -80.900
bonds (distance) P-C4' energy: -88.739
flat angles C4'-P-C4' energy: -91.817
flat angles P-C4'-P energy: -62.596
tors. eta vs tors. theta energy: -60.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -780.706893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.706893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.706893 (E_RNA)
where:
Base-Base interactions energy: -388.347
where: short stacking energy: -269.684
Base-Backbone interact. energy: -0.440
local terms energy: -391.919849
where:
bonds (distance) C4'-P energy: -89.823
bonds (distance) P-C4' energy: -93.305
flat angles C4'-P-C4' energy: -83.401
flat angles P-C4'-P energy: -54.247
tors. eta vs tors. theta energy: -71.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -576.942763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.942763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.942763 (E_RNA)
where:
Base-Base interactions energy: -252.565
where: short stacking energy: -196.597
Base-Backbone interact. energy: 0.371
local terms energy: -324.748168
where:
bonds (distance) C4'-P energy: -79.402
bonds (distance) P-C4' energy: -83.407
flat angles C4'-P-C4' energy: -81.435
flat angles P-C4'-P energy: -45.059
tors. eta vs tors. theta energy: -35.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -532.654952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.654952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.654952 (E_RNA)
where:
Base-Base interactions energy: -232.036
where: short stacking energy: -155.145
Base-Backbone interact. energy: 1.972
local terms energy: -302.590266
where:
bonds (distance) C4'-P energy: -91.278
bonds (distance) P-C4' energy: -97.589
flat angles C4'-P-C4' energy: -63.877
flat angles P-C4'-P energy: -39.670
tors. eta vs tors. theta energy: -10.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -445.757787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.757787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.757787 (E_RNA)
where:
Base-Base interactions energy: -176.664
where: short stacking energy: -146.372
Base-Backbone interact. energy: -0.838
local terms energy: -268.256398
where:
bonds (distance) C4'-P energy: -85.142
bonds (distance) P-C4' energy: -85.030
flat angles C4'-P-C4' energy: -72.299
flat angles P-C4'-P energy: -28.081
tors. eta vs tors. theta energy: 2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -439.943490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.943490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.943490 (E_RNA)
where:
Base-Base interactions energy: -175.655
where: short stacking energy: -148.120
Base-Backbone interact. energy: 1.225
local terms energy: -265.513006
where:
bonds (distance) C4'-P energy: -67.219
bonds (distance) P-C4' energy: -79.013
flat angles C4'-P-C4' energy: -75.192
flat angles P-C4'-P energy: -45.600
tors. eta vs tors. theta energy: 1.511
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: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -391.724657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.724657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.724657 (E_RNA)
where:
Base-Base interactions energy: -144.523
where: short stacking energy: -122.056
Base-Backbone interact. energy: -0.926
local terms energy: -246.275943
where:
bonds (distance) C4'-P energy: -67.438
bonds (distance) P-C4' energy: -67.463
flat angles C4'-P-C4' energy: -59.025
flat angles P-C4'-P energy: -33.330
tors. eta vs tors. theta energy: -19.020
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: 5
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -356.614482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.614482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.614482 (E_RNA)
where:
Base-Base interactions energy: -143.077
where: short stacking energy: -101.389
Base-Backbone interact. energy: -0.153
local terms energy: -213.384724
where:
bonds (distance) C4'-P energy: -62.786
bonds (distance) P-C4' energy: -73.351
flat angles C4'-P-C4' energy: -63.992
flat angles P-C4'-P energy: -33.694
tors. eta vs tors. theta energy: 20.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1046.130481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.130481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.130481 (E_RNA)
where:
Base-Base interactions energy: -589.321
where: short stacking energy: -353.749
Base-Backbone interact. energy: -0.603
local terms energy: -456.206973
where:
bonds (distance) C4'-P energy: -86.264
bonds (distance) P-C4' energy: -93.676
flat angles C4'-P-C4' energy: -105.057
flat angles P-C4'-P energy: -64.811
tors. eta vs tors. theta energy: -106.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -992.799733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.799733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.799733 (E_RNA)
where:
Base-Base interactions energy: -568.763
where: short stacking energy: -348.021
Base-Backbone interact. energy: -1.241
local terms energy: -422.795801
where:
bonds (distance) C4'-P energy: -82.647
bonds (distance) P-C4' energy: -70.568
flat angles C4'-P-C4' energy: -107.160
flat angles P-C4'-P energy: -69.158
tors. eta vs tors. theta energy: -93.263
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: 3, replica: 6
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -908.280298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.280298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.280298 (E_RNA)
where:
Base-Base interactions energy: -482.188
where: short stacking energy: -315.856
Base-Backbone interact. energy: -0.899
local terms energy: -425.193316
where:
bonds (distance) C4'-P energy: -82.187
bonds (distance) P-C4' energy: -94.641
flat angles C4'-P-C4' energy: -95.768
flat angles P-C4'-P energy: -63.830
tors. eta vs tors. theta energy: -88.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -784.290666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.290666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.290666 (E_RNA)
where:
Base-Base interactions energy: -406.626
where: short stacking energy: -269.905
Base-Backbone interact. energy: -2.790
local terms energy: -374.874633
where:
bonds (distance) C4'-P energy: -77.070
bonds (distance) P-C4' energy: -98.095
flat angles C4'-P-C4' energy: -85.422
flat angles P-C4'-P energy: -55.197
tors. eta vs tors. theta energy: -59.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -606.105593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.105593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.105593 (E_RNA)
where:
Base-Base interactions energy: -268.972
where: short stacking energy: -207.197
Base-Backbone interact. energy: -0.585
local terms energy: -336.549111
where:
bonds (distance) C4'-P energy: -84.117
bonds (distance) P-C4' energy: -89.899
flat angles C4'-P-C4' energy: -72.403
flat angles P-C4'-P energy: -57.816
tors. eta vs tors. theta energy: -32.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -536.415741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.415741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.415741 (E_RNA)
where:
Base-Base interactions energy: -210.069
where: short stacking energy: -175.960
Base-Backbone interact. energy: -1.822
local terms energy: -324.524723
where:
bonds (distance) C4'-P energy: -76.285
bonds (distance) P-C4' energy: -95.996
flat angles C4'-P-C4' energy: -77.295
flat angles P-C4'-P energy: -52.612
tors. eta vs tors. theta energy: -22.336
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: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -488.884926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.884926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.884926 (E_RNA)
where:
Base-Base interactions energy: -174.486
where: short stacking energy: -146.340
Base-Backbone interact. energy: -1.947
local terms energy: -312.451582
where:
bonds (distance) C4'-P energy: -78.553
bonds (distance) P-C4' energy: -98.185
flat angles C4'-P-C4' energy: -76.473
flat angles P-C4'-P energy: -55.771
tors. eta vs tors. theta energy: -3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -400.122071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.122071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.122071 (E_RNA)
where:
Base-Base interactions energy: -125.768
where: short stacking energy: -107.821
Base-Backbone interact. energy: -2.790
local terms energy: -271.563561
where:
bonds (distance) C4'-P energy: -86.595
bonds (distance) P-C4' energy: -88.519
flat angles C4'-P-C4' energy: -82.333
flat angles P-C4'-P energy: -28.419
tors. eta vs tors. theta energy: 14.302
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: 5
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -388.321714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.321714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.321714 (E_RNA)
where:
Base-Base interactions energy: -113.555
where: short stacking energy: -101.881
Base-Backbone interact. energy: 1.415
local terms energy: -276.181720
where:
bonds (distance) C4'-P energy: -83.938
bonds (distance) P-C4' energy: -80.329
flat angles C4'-P-C4' energy: -69.824
flat angles P-C4'-P energy: -43.256
tors. eta vs tors. theta energy: 1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -353.728404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.728404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.728404 (E_RNA)
where:
Base-Base interactions energy: -120.091
where: short stacking energy: -86.388
Base-Backbone interact. energy: 2.931
local terms energy: -236.567837
where:
bonds (distance) C4'-P energy: -64.787
bonds (distance) P-C4' energy: -85.232
flat angles C4'-P-C4' energy: -79.515
flat angles P-C4'-P energy: -39.698
tors. eta vs tors. theta energy: 32.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1091.031702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.031702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.031702 (E_RNA)
where:
Base-Base interactions energy: -630.771
where: short stacking energy: -379.780
Base-Backbone interact. energy: -2.255
local terms energy: -458.006216
where:
bonds (distance) C4'-P energy: -88.012
bonds (distance) P-C4' energy: -96.739
flat angles C4'-P-C4' energy: -100.898
flat angles P-C4'-P energy: -58.528
tors. eta vs tors. theta energy: -113.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1029.858736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.858736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.858736 (E_RNA)
where:
Base-Base interactions energy: -594.897
where: short stacking energy: -358.442
Base-Backbone interact. energy: 0.709
local terms energy: -435.670171
where:
bonds (distance) C4'-P energy: -90.491
bonds (distance) P-C4' energy: -94.425
flat angles C4'-P-C4' energy: -89.808
flat angles P-C4'-P energy: -54.045
tors. eta vs tors. theta energy: -106.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -935.543013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.543013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.543013 (E_RNA)
where:
Base-Base interactions energy: -506.366
where: short stacking energy: -332.500
Base-Backbone interact. energy: -0.915
local terms energy: -428.261881
where:
bonds (distance) C4'-P energy: -83.610
bonds (distance) P-C4' energy: -93.752
flat angles C4'-P-C4' energy: -95.316
flat angles P-C4'-P energy: -63.715
tors. eta vs tors. theta energy: -91.869
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: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -740.468071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.468071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.468071 (E_RNA)
where:
Base-Base interactions energy: -382.209
where: short stacking energy: -254.641
Base-Backbone interact. energy: -0.711
local terms energy: -357.548153
where:
bonds (distance) C4'-P energy: -70.632
bonds (distance) P-C4' energy: -91.827
flat angles C4'-P-C4' energy: -77.865
flat angles P-C4'-P energy: -49.741
tors. eta vs tors. theta energy: -67.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -628.985612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.985612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.985612 (E_RNA)
where:
Base-Base interactions energy: -278.153
where: short stacking energy: -213.449
Base-Backbone interact. energy: 0.657
local terms energy: -351.488998
where:
bonds (distance) C4'-P energy: -86.888
bonds (distance) P-C4' energy: -90.028
flat angles C4'-P-C4' energy: -91.027
flat angles P-C4'-P energy: -51.997
tors. eta vs tors. theta energy: -31.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -533.830909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.830909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.830909 (E_RNA)
where:
Base-Base interactions energy: -231.630
where: short stacking energy: -185.072
Base-Backbone interact. energy: -0.592
local terms energy: -301.609581
where:
bonds (distance) C4'-P energy: -79.304
bonds (distance) P-C4' energy: -82.950
flat angles C4'-P-C4' energy: -65.355
flat angles P-C4'-P energy: -49.963
tors. eta vs tors. theta energy: -24.037
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: 31
Temperature: 1.200000
Total energy: -475.330445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.330445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.330445 (E_RNA)
where:
Base-Base interactions energy: -166.196
where: short stacking energy: -143.060
Base-Backbone interact. energy: -0.049
local terms energy: -309.085849
where:
bonds (distance) C4'-P energy: -79.939
bonds (distance) P-C4' energy: -78.118
flat angles C4'-P-C4' energy: -74.569
flat angles P-C4'-P energy: -53.806
tors. eta vs tors. theta energy: -22.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -414.724133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.724133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.724133 (E_RNA)
where:
Base-Base interactions energy: -151.481
where: short stacking energy: -140.423
Base-Backbone interact. energy: 0.555
local terms energy: -263.798066
where:
bonds (distance) C4'-P energy: -55.599
bonds (distance) P-C4' energy: -81.194
flat angles C4'-P-C4' energy: -85.601
flat angles P-C4'-P energy: -45.105
tors. eta vs tors. theta energy: 3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -384.973719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.973719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.973719 (E_RNA)
where:
Base-Base interactions energy: -123.314
where: short stacking energy: -117.800
Base-Backbone interact. energy: 2.485
local terms energy: -264.144964
where:
bonds (distance) C4'-P energy: -80.371
bonds (distance) P-C4' energy: -81.298
flat angles C4'-P-C4' energy: -62.260
flat angles P-C4'-P energy: -43.260
tors. eta vs tors. theta energy: 3.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -337.323157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.323157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.323157 (E_RNA)
where:
Base-Base interactions energy: -86.916
where: short stacking energy: -71.063
Base-Backbone interact. energy: -1.927
local terms energy: -248.480187
where:
bonds (distance) C4'-P energy: -76.120
bonds (distance) P-C4' energy: -87.485
flat angles C4'-P-C4' energy: -65.720
flat angles P-C4'-P energy: -38.825
tors. eta vs tors. theta energy: 19.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1110.993964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.993964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.993964 (E_RNA)
where:
Base-Base interactions energy: -651.806
where: short stacking energy: -400.686
Base-Backbone interact. energy: -2.322
local terms energy: -456.866038
where:
bonds (distance) C4'-P energy: -79.095
bonds (distance) P-C4' energy: -104.725
flat angles C4'-P-C4' energy: -109.674
flat angles P-C4'-P energy: -64.816
tors. eta vs tors. theta energy: -98.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1013.923966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.923966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.923966 (E_RNA)
where:
Base-Base interactions energy: -579.950
where: short stacking energy: -348.313
Base-Backbone interact. energy: -1.023
local terms energy: -432.951129
where:
bonds (distance) C4'-P energy: -96.223
bonds (distance) P-C4' energy: -84.791
flat angles C4'-P-C4' energy: -98.480
flat angles P-C4'-P energy: -65.119
tors. eta vs tors. theta energy: -88.338
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: 32
Temperature: 1.000000
Total energy: -931.836172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.836172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.836172 (E_RNA)
where:
Base-Base interactions energy: -535.914
where: short stacking energy: -325.022
Base-Backbone interact. energy: -0.861
local terms energy: -395.061580
where:
bonds (distance) C4'-P energy: -83.933
bonds (distance) P-C4' energy: -70.742
flat angles C4'-P-C4' energy: -100.889
flat angles P-C4'-P energy: -56.484
tors. eta vs tors. theta energy: -83.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -731.319888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.319888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.319888 (E_RNA)
where:
Base-Base interactions energy: -364.227
where: short stacking energy: -237.984
Base-Backbone interact. energy: 1.671
local terms energy: -368.763789
where:
bonds (distance) C4'-P energy: -90.116
bonds (distance) P-C4' energy: -87.237
flat angles C4'-P-C4' energy: -77.604
flat angles P-C4'-P energy: -58.361
tors. eta vs tors. theta energy: -55.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -607.649555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.649555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.649555 (E_RNA)
where:
Base-Base interactions energy: -263.379
where: short stacking energy: -195.965
Base-Backbone interact. energy: -0.592
local terms energy: -343.678641
where:
bonds (distance) C4'-P energy: -95.031
bonds (distance) P-C4' energy: -88.014
flat angles C4'-P-C4' energy: -65.068
flat angles P-C4'-P energy: -58.495
tors. eta vs tors. theta energy: -37.071
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: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -571.291117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.291117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.291117 (E_RNA)
where:
Base-Base interactions energy: -237.007
where: short stacking energy: -186.882
Base-Backbone interact. energy: -0.644
local terms energy: -333.639918
where:
bonds (distance) C4'-P energy: -94.478
bonds (distance) P-C4' energy: -92.507
flat angles C4'-P-C4' energy: -71.338
flat angles P-C4'-P energy: -45.497
tors. eta vs tors. theta energy: -29.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -459.390806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.390806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.390806 (E_RNA)
where:
Base-Base interactions energy: -174.318
where: short stacking energy: -142.602
Base-Backbone interact. energy: -2.816
local terms energy: -282.257153
where:
bonds (distance) C4'-P energy: -75.972
bonds (distance) P-C4' energy: -87.310
flat angles C4'-P-C4' energy: -65.748
flat angles P-C4'-P energy: -36.464
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: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -406.554838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.554838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.554838 (E_RNA)
where:
Base-Base interactions energy: -138.255
where: short stacking energy: -116.801
Base-Backbone interact. energy: 2.205
local terms energy: -270.504869
where:
bonds (distance) C4'-P energy: -67.051
bonds (distance) P-C4' energy: -86.002
flat angles C4'-P-C4' energy: -67.345
flat angles P-C4'-P energy: -50.992
tors. eta vs tors. theta energy: 0.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -395.947502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.947502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.947502 (E_RNA)
where:
Base-Base interactions energy: -150.155
where: short stacking energy: -123.134
Base-Backbone interact. energy: -2.642
local terms energy: -243.150097
where:
bonds (distance) C4'-P energy: -73.133
bonds (distance) P-C4' energy: -77.706
flat angles C4'-P-C4' energy: -63.629
flat angles P-C4'-P energy: -33.073
tors. eta vs tors. theta energy: 4.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -352.844760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.844760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.844760 (E_RNA)
where:
Base-Base interactions energy: -110.578
where: short stacking energy: -100.261
Base-Backbone interact. energy: -1.481
local terms energy: -240.785353
where:
bonds (distance) C4'-P energy: -73.733
bonds (distance) P-C4' energy: -77.399
flat angles C4'-P-C4' energy: -68.443
flat angles P-C4'-P energy: -42.370
tors. eta vs tors. theta energy: 21.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1065.048156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.048156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.048156 (E_RNA)
where:
Base-Base interactions energy: -598.052
where: short stacking energy: -362.978
Base-Backbone interact. energy: -2.839
local terms energy: -464.157528
where:
bonds (distance) C4'-P energy: -94.066
bonds (distance) P-C4' energy: -99.224
flat angles C4'-P-C4' energy: -112.729
flat angles P-C4'-P energy: -55.169
tors. eta vs tors. theta energy: -102.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -993.808141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.808141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.808141 (E_RNA)
where:
Base-Base interactions energy: -556.174
where: short stacking energy: -373.386
Base-Backbone interact. energy: 3.000
local terms energy: -440.633855
where:
bonds (distance) C4'-P energy: -94.051
bonds (distance) P-C4' energy: -86.969
flat angles C4'-P-C4' energy: -101.765
flat angles P-C4'-P energy: -57.320
tors. eta vs tors. theta energy: -100.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -927.808405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.808405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.808405 (E_RNA)
where:
Base-Base interactions energy: -496.637
where: short stacking energy: -340.227
Base-Backbone interact. energy: -0.399
local terms energy: -430.772408
where:
bonds (distance) C4'-P energy: -97.108
bonds (distance) P-C4' energy: -80.307
flat angles C4'-P-C4' energy: -96.234
flat angles P-C4'-P energy: -65.614
tors. eta vs tors. theta energy: -91.509
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: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -763.143223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.143223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.143223 (E_RNA)
where:
Base-Base interactions energy: -374.220
where: short stacking energy: -256.731
Base-Backbone interact. energy: -0.483
local terms energy: -388.439952
where:
bonds (distance) C4'-P energy: -94.258
bonds (distance) P-C4' energy: -87.842
flat angles C4'-P-C4' energy: -85.505
flat angles P-C4'-P energy: -58.328
tors. eta vs tors. theta energy: -62.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -606.963908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.963908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.963908 (E_RNA)
where:
Base-Base interactions energy: -275.366
where: short stacking energy: -203.268
Base-Backbone interact. energy: 1.206
local terms energy: -332.804150
where:
bonds (distance) C4'-P energy: -77.230
bonds (distance) P-C4' energy: -87.543
flat angles C4'-P-C4' energy: -76.966
flat angles P-C4'-P energy: -53.662
tors. eta vs tors. theta energy: -37.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -536.213600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.213600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.213600 (E_RNA)
where:
Base-Base interactions energy: -213.371
where: short stacking energy: -175.332
Base-Backbone interact. energy: 2.388
local terms energy: -325.230421
where:
bonds (distance) C4'-P energy: -77.690
bonds (distance) P-C4' energy: -92.991
flat angles C4'-P-C4' energy: -87.850
flat angles P-C4'-P energy: -44.634
tors. eta vs tors. theta energy: -22.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -470.114779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.114779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.114779 (E_RNA)
where:
Base-Base interactions energy: -154.739
where: short stacking energy: -138.823
Base-Backbone interact. energy: 0.636
local terms energy: -316.012213
where:
bonds (distance) C4'-P energy: -87.481
bonds (distance) P-C4' energy: -90.618
flat angles C4'-P-C4' energy: -85.738
flat angles P-C4'-P energy: -46.386
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: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -438.887476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.887476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.887476 (E_RNA)
where:
Base-Base interactions energy: -150.050
where: short stacking energy: -107.343
Base-Backbone interact. energy: -0.663
local terms energy: -288.174324
where:
bonds (distance) C4'-P energy: -83.793
bonds (distance) P-C4' energy: -96.244
flat angles C4'-P-C4' energy: -76.483
flat angles P-C4'-P energy: -31.307
tors. eta vs tors. theta energy: -0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -385.113680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.113680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.113680 (E_RNA)
where:
Base-Base interactions energy: -124.904
where: short stacking energy: -112.307
Base-Backbone interact. energy: 0.216
local terms energy: -260.425721
where:
bonds (distance) C4'-P energy: -83.189
bonds (distance) P-C4' energy: -97.829
flat angles C4'-P-C4' energy: -55.982
flat angles P-C4'-P energy: -35.916
tors. eta vs tors. theta energy: 12.489
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: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -333.932335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.932335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.932335 (E_RNA)
where:
Base-Base interactions energy: -91.272
where: short stacking energy: -90.263
Base-Backbone interact. energy: -0.032
local terms energy: -242.628936
where:
bonds (distance) C4'-P energy: -82.735
bonds (distance) P-C4' energy: -82.059
flat angles C4'-P-C4' energy: -58.343
flat angles P-C4'-P energy: -33.675
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: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1093.090539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.090539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.090539 (E_RNA)
where:
Base-Base interactions energy: -628.756
where: short stacking energy: -399.182
Base-Backbone interact. energy: -1.025
local terms energy: -463.309762
where:
bonds (distance) C4'-P energy: -84.349
bonds (distance) P-C4' energy: -85.020
flat angles C4'-P-C4' energy: -100.118
flat angles P-C4'-P energy: -71.134
tors. eta vs tors. theta energy: -122.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -983.196644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.196644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.196644 (E_RNA)
where:
Base-Base interactions energy: -563.825
where: short stacking energy: -342.687
Base-Backbone interact. energy: 0.132
local terms energy: -419.503235
where:
bonds (distance) C4'-P energy: -93.571
bonds (distance) P-C4' energy: -82.597
flat angles C4'-P-C4' energy: -85.292
flat angles P-C4'-P energy: -65.347
tors. eta vs tors. theta energy: -92.696
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: 3, replica: 6
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -914.797402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.797402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.797402 (E_RNA)
where:
Base-Base interactions energy: -515.828
where: short stacking energy: -328.553
Base-Backbone interact. energy: -1.327
local terms energy: -397.641582
where:
bonds (distance) C4'-P energy: -89.890
bonds (distance) P-C4' energy: -90.058
flat angles C4'-P-C4' energy: -96.882
flat angles P-C4'-P energy: -42.400
tors. eta vs tors. theta energy: -78.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -774.276758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.276758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.276758 (E_RNA)
where:
Base-Base interactions energy: -392.866
where: short stacking energy: -270.242
Base-Backbone interact. energy: 0.878
local terms energy: -382.288891
where:
bonds (distance) C4'-P energy: -86.868
bonds (distance) P-C4' energy: -88.661
flat angles C4'-P-C4' energy: -91.051
flat angles P-C4'-P energy: -55.901
tors. eta vs tors. theta energy: -59.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -619.291780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.291780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.291780 (E_RNA)
where:
Base-Base interactions energy: -308.337
where: short stacking energy: -182.413
Base-Backbone interact. energy: 0.601
local terms energy: -311.555745
where:
bonds (distance) C4'-P energy: -84.004
bonds (distance) P-C4' energy: -90.165
flat angles C4'-P-C4' energy: -74.714
flat angles P-C4'-P energy: -56.488
tors. eta vs tors. theta energy: -6.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -540.625143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.625143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.625143 (E_RNA)
where:
Base-Base interactions energy: -211.492
where: short stacking energy: -159.076
Base-Backbone interact. energy: 1.111
local terms energy: -330.243852
where:
bonds (distance) C4'-P energy: -76.268
bonds (distance) P-C4' energy: -88.207
flat angles C4'-P-C4' energy: -90.915
flat angles P-C4'-P energy: -57.468
tors. eta vs tors. theta energy: -17.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -474.661638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.661638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.661638 (E_RNA)
where:
Base-Base interactions energy: -174.989
where: short stacking energy: -160.394
Base-Backbone interact. energy: -0.582
local terms energy: -299.090543
where:
bonds (distance) C4'-P energy: -72.398
bonds (distance) P-C4' energy: -91.154
flat angles C4'-P-C4' energy: -66.681
flat angles P-C4'-P energy: -42.344
tors. eta vs tors. theta energy: -26.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -400.572778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.572778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.572778 (E_RNA)
where:
Base-Base interactions energy: -144.173
where: short stacking energy: -116.324
Base-Backbone interact. energy: -1.244
local terms energy: -255.155146
where:
bonds (distance) C4'-P energy: -71.212
bonds (distance) P-C4' energy: -79.231
flat angles C4'-P-C4' energy: -74.031
flat angles P-C4'-P energy: -31.842
tors. eta vs tors. theta energy: 1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -371.176194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.176194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.176194 (E_RNA)
where:
Base-Base interactions energy: -119.457
where: short stacking energy: -112.335
Base-Backbone interact. energy: 10.407
local terms energy: -262.126357
where:
bonds (distance) C4'-P energy: -78.831
bonds (distance) P-C4' energy: -71.528
flat angles C4'-P-C4' energy: -78.384
flat angles P-C4'-P energy: -39.749
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: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -353.266871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.266871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.266871 (E_RNA)
where:
Base-Base interactions energy: -103.529
where: short stacking energy: -91.894
Base-Backbone interact. energy: -2.528
local terms energy: -247.209835
where:
bonds (distance) C4'-P energy: -73.505
bonds (distance) P-C4' energy: -81.288
flat angles C4'-P-C4' energy: -71.748
flat angles P-C4'-P energy: -37.939
tors. eta vs tors. theta energy: 17.271
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: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1115.425154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.425154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.425154 (E_RNA)
where:
Base-Base interactions energy: -628.610
where: short stacking energy: -405.068
Base-Backbone interact. energy: 1.982
local terms energy: -488.797632
where:
bonds (distance) C4'-P energy: -92.478
bonds (distance) P-C4' energy: -98.879
flat angles C4'-P-C4' energy: -104.132
flat angles P-C4'-P energy: -67.333
tors. eta vs tors. theta energy: -125.975
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: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -972.455723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.455723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.455723 (E_RNA)
where:
Base-Base interactions energy: -568.546
where: short stacking energy: -325.002
Base-Backbone interact. energy: -0.808
local terms energy: -403.101298
where:
bonds (distance) C4'-P energy: -88.407
bonds (distance) P-C4' energy: -91.480
flat angles C4'-P-C4' energy: -88.743
flat angles P-C4'-P energy: -61.591
tors. eta vs tors. theta energy: -72.882
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: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -902.080145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.080145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.080145 (E_RNA)
where:
Base-Base interactions energy: -453.708
where: short stacking energy: -278.962
Base-Backbone interact. energy: -0.864
local terms energy: -447.508535
where:
bonds (distance) C4'-P energy: -96.323
bonds (distance) P-C4' energy: -103.441
flat angles C4'-P-C4' energy: -92.927
flat angles P-C4'-P energy: -73.718
tors. eta vs tors. theta energy: -81.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -775.986038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.986038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.986038 (E_RNA)
where:
Base-Base interactions energy: -409.660
where: short stacking energy: -248.170
Base-Backbone interact. energy: -1.290
local terms energy: -365.036574
where:
bonds (distance) C4'-P energy: -79.206
bonds (distance) P-C4' energy: -93.996
flat angles C4'-P-C4' energy: -88.385
flat angles P-C4'-P energy: -53.436
tors. eta vs tors. theta energy: -50.014
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: 35
Temperature: 1.100000
Total energy: -663.533722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.533722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.533722 (E_RNA)
where:
Base-Base interactions energy: -320.079
where: short stacking energy: -229.866
Base-Backbone interact. energy: 1.172
local terms energy: -344.626963
where:
bonds (distance) C4'-P energy: -82.148
bonds (distance) P-C4' energy: -84.480
flat angles C4'-P-C4' energy: -76.532
flat angles P-C4'-P energy: -57.154
tors. eta vs tors. theta energy: -44.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -517.749067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.749067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.749067 (E_RNA)
where:
Base-Base interactions energy: -233.301
where: short stacking energy: -198.127
Base-Backbone interact. energy: 0.555
local terms energy: -285.003081
where:
bonds (distance) C4'-P energy: -58.302
bonds (distance) P-C4' energy: -70.040
flat angles C4'-P-C4' energy: -86.415
flat angles P-C4'-P energy: -33.097
tors. eta vs tors. theta energy: -37.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -488.176249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.176249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.176249 (E_RNA)
where:
Base-Base interactions energy: -199.992
where: short stacking energy: -159.093
Base-Backbone interact. energy: 1.301
local terms energy: -289.484740
where:
bonds (distance) C4'-P energy: -76.113
bonds (distance) P-C4' energy: -95.081
flat angles C4'-P-C4' energy: -73.020
flat angles P-C4'-P energy: -38.007
tors. eta vs tors. theta energy: -7.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -408.652496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.652496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.652496 (E_RNA)
where:
Base-Base interactions energy: -145.036
where: short stacking energy: -131.344
Base-Backbone interact. energy: 1.688
local terms energy: -265.305348
where:
bonds (distance) C4'-P energy: -71.866
bonds (distance) P-C4' energy: -84.393
flat angles C4'-P-C4' energy: -85.056
flat angles P-C4'-P energy: -25.275
tors. eta vs tors. theta energy: 1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -373.606594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.606594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.606594 (E_RNA)
where:
Base-Base interactions energy: -115.489
where: short stacking energy: -96.437
Base-Backbone interact. energy: -1.154
local terms energy: -256.963579
where:
bonds (distance) C4'-P energy: -71.405
bonds (distance) P-C4' energy: -85.692
flat angles C4'-P-C4' energy: -65.559
flat angles P-C4'-P energy: -46.781
tors. eta vs tors. theta energy: 12.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -359.258132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.258132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.258132 (E_RNA)
where:
Base-Base interactions energy: -118.947
where: short stacking energy: -109.663
Base-Backbone interact. energy: 1.541
local terms energy: -241.853006
where:
bonds (distance) C4'-P energy: -63.174
bonds (distance) P-C4' energy: -84.810
flat angles C4'-P-C4' energy: -61.846
flat angles P-C4'-P energy: -45.129
tors. eta vs tors. theta energy: 13.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1142.780420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.780420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.780420 (E_RNA)
where:
Base-Base interactions energy: -653.002
where: short stacking energy: -398.283
Base-Backbone interact. energy: -0.002
local terms energy: -489.776274
where:
bonds (distance) C4'-P energy: -96.040
bonds (distance) P-C4' energy: -96.883
flat angles C4'-P-C4' energy: -111.514
flat angles P-C4'-P energy: -67.904
tors. eta vs tors. theta energy: -117.435
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: 2, replica: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -963.312436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.312436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.312436 (E_RNA)
where:
Base-Base interactions energy: -557.826
where: short stacking energy: -327.991
Base-Backbone interact. energy: -3.169
local terms energy: -402.317286
where:
bonds (distance) C4'-P energy: -95.463
bonds (distance) P-C4' energy: -85.411
flat angles C4'-P-C4' energy: -96.941
flat angles P-C4'-P energy: -52.137
tors. eta vs tors. theta energy: -72.365
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: 36
Temperature: 1.000000
Total energy: -932.304301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.304301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.304301 (E_RNA)
where:
Base-Base interactions energy: -519.256
where: short stacking energy: -327.835
Base-Backbone interact. energy: -0.592
local terms energy: -412.456357
where:
bonds (distance) C4'-P energy: -89.294
bonds (distance) P-C4' energy: -92.271
flat angles C4'-P-C4' energy: -99.787
flat angles P-C4'-P energy: -50.704
tors. eta vs tors. theta energy: -80.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -729.152524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.152524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.152524 (E_RNA)
where:
Base-Base interactions energy: -355.756
where: short stacking energy: -241.612
Base-Backbone interact. energy: -0.999
local terms energy: -372.397526
where:
bonds (distance) C4'-P energy: -82.667
bonds (distance) P-C4' energy: -93.907
flat angles C4'-P-C4' energy: -88.086
flat angles P-C4'-P energy: -52.213
tors. eta vs tors. theta energy: -55.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -663.161100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.161100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.161100 (E_RNA)
where:
Base-Base interactions energy: -305.855
where: short stacking energy: -188.112
Base-Backbone interact. energy: -4.200
local terms energy: -353.105123
where:
bonds (distance) C4'-P energy: -80.513
bonds (distance) P-C4' energy: -96.654
flat angles C4'-P-C4' energy: -87.760
flat angles P-C4'-P energy: -51.447
tors. eta vs tors. theta energy: -36.731
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: 1
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -540.397248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.397248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.397248 (E_RNA)
where:
Base-Base interactions energy: -213.629
where: short stacking energy: -193.969
Base-Backbone interact. energy: -1.064
local terms energy: -325.704729
where:
bonds (distance) C4'-P energy: -78.562
bonds (distance) P-C4' energy: -90.939
flat angles C4'-P-C4' energy: -83.046
flat angles P-C4'-P energy: -44.515
tors. eta vs tors. theta energy: -28.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -462.287907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.287907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.287907 (E_RNA)
where:
Base-Base interactions energy: -177.460
where: short stacking energy: -152.358
Base-Backbone interact. energy: 1.011
local terms energy: -285.839494
where:
bonds (distance) C4'-P energy: -69.858
bonds (distance) P-C4' energy: -76.411
flat angles C4'-P-C4' energy: -77.336
flat angles P-C4'-P energy: -47.470
tors. eta vs tors. theta energy: -14.764
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: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -397.221979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.221979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.221979 (E_RNA)
where:
Base-Base interactions energy: -126.294
where: short stacking energy: -78.182
Base-Backbone interact. energy: 1.559
local terms energy: -272.487239
where:
bonds (distance) C4'-P energy: -85.830
bonds (distance) P-C4' energy: -77.891
flat angles C4'-P-C4' energy: -80.162
flat angles P-C4'-P energy: -38.987
tors. eta vs tors. theta energy: 10.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -396.634594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.634594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.634594 (E_RNA)
where:
Base-Base interactions energy: -141.160
where: short stacking energy: -111.409
Base-Backbone interact. energy: -2.324
local terms energy: -253.150570
where:
bonds (distance) C4'-P energy: -72.334
bonds (distance) P-C4' energy: -77.361
flat angles C4'-P-C4' energy: -70.101
flat angles P-C4'-P energy: -44.660
tors. eta vs tors. theta energy: 11.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -366.590059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.590059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.590059 (E_RNA)
where:
Base-Base interactions energy: -112.920
where: short stacking energy: -100.837
Base-Backbone interact. energy: -1.966
local terms energy: -251.704227
where:
bonds (distance) C4'-P energy: -86.419
bonds (distance) P-C4' energy: -71.216
flat angles C4'-P-C4' energy: -64.375
flat angles P-C4'-P energy: -42.493
tors. eta vs tors. theta energy: 12.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1109.583924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.583924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.583924 (E_RNA)
where:
Base-Base interactions energy: -638.587
where: short stacking energy: -395.863
Base-Backbone interact. energy: -1.866
local terms energy: -469.130483
where:
bonds (distance) C4'-P energy: -93.108
bonds (distance) P-C4' energy: -96.453
flat angles C4'-P-C4' energy: -104.186
flat angles P-C4'-P energy: -62.756
tors. eta vs tors. theta energy: -112.627
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: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -965.379666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.379666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.379666 (E_RNA)
where:
Base-Base interactions energy: -519.785
where: short stacking energy: -318.270
Base-Backbone interact. energy: -2.934
local terms energy: -442.660757
where:
bonds (distance) C4'-P energy: -89.464
bonds (distance) P-C4' energy: -105.743
flat angles C4'-P-C4' energy: -90.030
flat angles P-C4'-P energy: -63.291
tors. eta vs tors. theta energy: -94.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -890.482942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.482942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.482942 (E_RNA)
where:
Base-Base interactions energy: -483.996
where: short stacking energy: -335.936
Base-Backbone interact. energy: 0.493
local terms energy: -406.979973
where:
bonds (distance) C4'-P energy: -85.585
bonds (distance) P-C4' energy: -75.675
flat angles C4'-P-C4' energy: -102.951
flat angles P-C4'-P energy: -63.750
tors. eta vs tors. theta energy: -79.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -772.373291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.373291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.373291 (E_RNA)
where:
Base-Base interactions energy: -389.843
where: short stacking energy: -266.954
Base-Backbone interact. energy: 0.497
local terms energy: -383.027174
where:
bonds (distance) C4'-P energy: -82.343
bonds (distance) P-C4' energy: -84.495
flat angles C4'-P-C4' energy: -93.566
flat angles P-C4'-P energy: -63.098
tors. eta vs tors. theta energy: -59.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -716.606622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.606622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.606622 (E_RNA)
where:
Base-Base interactions energy: -366.376
where: short stacking energy: -221.107
Base-Backbone interact. energy: -1.353
local terms energy: -348.877537
where:
bonds (distance) C4'-P energy: -88.731
bonds (distance) P-C4' energy: -85.260
flat angles C4'-P-C4' energy: -80.438
flat angles P-C4'-P energy: -58.857
tors. eta vs tors. theta energy: -35.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -560.107384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.107384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.107384 (E_RNA)
where:
Base-Base interactions energy: -230.630
where: short stacking energy: -168.730
Base-Backbone interact. energy: -2.822
local terms energy: -326.655820
where:
bonds (distance) C4'-P energy: -75.889
bonds (distance) P-C4' energy: -91.516
flat angles C4'-P-C4' energy: -82.240
flat angles P-C4'-P energy: -53.312
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: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -492.928601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.928601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.928601 (E_RNA)
where:
Base-Base interactions energy: -203.595
where: short stacking energy: -138.392
Base-Backbone interact. energy: -2.257
local terms energy: -287.077117
where:
bonds (distance) C4'-P energy: -86.388
bonds (distance) P-C4' energy: -90.592
flat angles C4'-P-C4' energy: -83.023
flat angles P-C4'-P energy: -28.601
tors. eta vs tors. theta energy: 1.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -435.463704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.463704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.463704 (E_RNA)
where:
Base-Base interactions energy: -154.269
where: short stacking energy: -137.613
Base-Backbone interact. energy: -0.271
local terms energy: -280.923549
where:
bonds (distance) C4'-P energy: -74.321
bonds (distance) P-C4' energy: -83.552
flat angles C4'-P-C4' energy: -71.712
flat angles P-C4'-P energy: -41.070
tors. eta vs tors. theta energy: -10.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -370.878424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.878424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.878424 (E_RNA)
where:
Base-Base interactions energy: -118.091
where: short stacking energy: -106.706
Base-Backbone interact. energy: -0.165
local terms energy: -252.622651
where:
bonds (distance) C4'-P energy: -80.229
bonds (distance) P-C4' energy: -85.299
flat angles C4'-P-C4' energy: -70.731
flat angles P-C4'-P energy: -38.435
tors. eta vs tors. theta energy: 22.072
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: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -362.281646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.281646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.281646 (E_RNA)
where:
Base-Base interactions energy: -114.506
where: short stacking energy: -93.230
Base-Backbone interact. energy: -2.148
local terms energy: -245.627201
where:
bonds (distance) C4'-P energy: -58.486
bonds (distance) P-C4' energy: -98.034
flat angles C4'-P-C4' energy: -65.261
flat angles P-C4'-P energy: -39.653
tors. eta vs tors. theta energy: 15.807
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: 38
Temperature: 0.900000
Total energy: -1130.499135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.499135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.499135 (E_RNA)
where:
Base-Base interactions energy: -638.692
where: short stacking energy: -385.960
Base-Backbone interact. energy: -0.510
local terms energy: -491.297132
where:
bonds (distance) C4'-P energy: -97.760
bonds (distance) P-C4' energy: -101.120
flat angles C4'-P-C4' energy: -95.643
flat angles P-C4'-P energy: -75.363
tors. eta vs tors. theta energy: -121.412
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: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -969.416559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.416559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.416559 (E_RNA)
where:
Base-Base interactions energy: -524.381
where: short stacking energy: -331.171
Base-Backbone interact. energy: -1.797
local terms energy: -443.239348
where:
bonds (distance) C4'-P energy: -94.373
bonds (distance) P-C4' energy: -104.376
flat angles C4'-P-C4' energy: -93.064
flat angles P-C4'-P energy: -65.677
tors. eta vs tors. theta energy: -85.750
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: 6
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -915.218526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.218526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.218526 (E_RNA)
where:
Base-Base interactions energy: -500.896
where: short stacking energy: -307.941
Base-Backbone interact. energy: 0.532
local terms energy: -414.855409
where:
bonds (distance) C4'-P energy: -82.666
bonds (distance) P-C4' energy: -82.169
flat angles C4'-P-C4' energy: -90.285
flat angles P-C4'-P energy: -76.316
tors. eta vs tors. theta energy: -83.419
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: 4, replica: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -794.721589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.721589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.721589 (E_RNA)
where:
Base-Base interactions energy: -398.569
where: short stacking energy: -285.541
Base-Backbone interact. energy: -0.394
local terms energy: -395.758979
where:
bonds (distance) C4'-P energy: -84.875
bonds (distance) P-C4' energy: -95.251
flat angles C4'-P-C4' energy: -87.133
flat angles P-C4'-P energy: -57.619
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: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -742.176795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.176795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.176795 (E_RNA)
where:
Base-Base interactions energy: -370.896
where: short stacking energy: -247.214
Base-Backbone interact. energy: -3.304
local terms energy: -367.977117
where:
bonds (distance) C4'-P energy: -77.595
bonds (distance) P-C4' energy: -87.884
flat angles C4'-P-C4' energy: -91.518
flat angles P-C4'-P energy: -64.598
tors. eta vs tors. theta energy: -46.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -510.519190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.519190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.519190 (E_RNA)
where:
Base-Base interactions energy: -195.744
where: short stacking energy: -148.713
Base-Backbone interact. energy: -1.727
local terms energy: -313.047928
where:
bonds (distance) C4'-P energy: -81.803
bonds (distance) P-C4' energy: -87.536
flat angles C4'-P-C4' energy: -86.054
flat angles P-C4'-P energy: -39.918
tors. eta vs tors. theta energy: -17.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -515.160673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.160673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.160673 (E_RNA)
where:
Base-Base interactions energy: -215.141
where: short stacking energy: -155.114
Base-Backbone interact. energy: 1.308
local terms energy: -301.327643
where:
bonds (distance) C4'-P energy: -77.339
bonds (distance) P-C4' energy: -73.437
flat angles C4'-P-C4' energy: -80.044
flat angles P-C4'-P energy: -51.723
tors. eta vs tors. theta energy: -18.784
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: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -423.414288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.414288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.414288 (E_RNA)
where:
Base-Base interactions energy: -133.271
where: short stacking energy: -123.186
Base-Backbone interact. energy: -1.959
local terms energy: -288.184403
where:
bonds (distance) C4'-P energy: -75.976
bonds (distance) P-C4' energy: -87.141
flat angles C4'-P-C4' energy: -82.696
flat angles P-C4'-P energy: -40.587
tors. eta vs tors. theta energy: -1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -405.412036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.412036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.412036 (E_RNA)
where:
Base-Base interactions energy: -139.828
where: short stacking energy: -123.294
Base-Backbone interact. energy: -0.743
local terms energy: -264.840728
where:
bonds (distance) C4'-P energy: -67.345
bonds (distance) P-C4' energy: -77.248
flat angles C4'-P-C4' energy: -67.350
flat angles P-C4'-P energy: -52.227
tors. eta vs tors. theta energy: -0.671
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: 38
Temperature: 1.350000
Total energy: -353.078507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.078507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.078507 (E_RNA)
where:
Base-Base interactions energy: -115.670
where: short stacking energy: -106.582
Base-Backbone interact. energy: 0.616
local terms energy: -238.025042
where:
bonds (distance) C4'-P energy: -52.866
bonds (distance) P-C4' energy: -82.976
flat angles C4'-P-C4' energy: -63.223
flat angles P-C4'-P energy: -35.432
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1109.211528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.211528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.211528 (E_RNA)
where:
Base-Base interactions energy: -642.150
where: short stacking energy: -377.427
Base-Backbone interact. energy: -1.743
local terms energy: -465.318052
where:
bonds (distance) C4'-P energy: -94.053
bonds (distance) P-C4' energy: -92.207
flat angles C4'-P-C4' energy: -101.662
flat angles P-C4'-P energy: -60.688
tors. eta vs tors. theta energy: -116.707
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: 6
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1009.043863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.043863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.043863 (E_RNA)
where:
Base-Base interactions energy: -559.980
where: short stacking energy: -376.479
Base-Backbone interact. energy: -0.777
local terms energy: -448.286847
where:
bonds (distance) C4'-P energy: -94.476
bonds (distance) P-C4' energy: -91.150
flat angles C4'-P-C4' energy: -96.932
flat angles P-C4'-P energy: -60.098
tors. eta vs tors. theta energy: -105.631
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: 39
Temperature: 1.000000
Total energy: -912.780311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.780311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.780311 (E_RNA)
where:
Base-Base interactions energy: -498.518
where: short stacking energy: -302.242
Base-Backbone interact. energy: -2.259
local terms energy: -412.003732
where:
bonds (distance) C4'-P energy: -94.786
bonds (distance) P-C4' energy: -85.214
flat angles C4'-P-C4' energy: -94.264
flat angles P-C4'-P energy: -65.499
tors. eta vs tors. theta energy: -72.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -803.894945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.894945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.894945 (E_RNA)
where:
Base-Base interactions energy: -419.244
where: short stacking energy: -283.243
Base-Backbone interact. energy: -1.744
local terms energy: -382.906944
where:
bonds (distance) C4'-P energy: -77.542
bonds (distance) P-C4' energy: -86.674
flat angles C4'-P-C4' energy: -92.590
flat angles P-C4'-P energy: -55.698
tors. eta vs tors. theta energy: -70.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -710.672576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.672576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.672576 (E_RNA)
where:
Base-Base interactions energy: -365.391
where: short stacking energy: -224.225
Base-Backbone interact. energy: -0.110
local terms energy: -345.171082
where:
bonds (distance) C4'-P energy: -91.656
bonds (distance) P-C4' energy: -88.504
flat angles C4'-P-C4' energy: -72.426
flat angles P-C4'-P energy: -47.770
tors. eta vs tors. theta energy: -44.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -540.840437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.840437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.840437 (E_RNA)
where:
Base-Base interactions energy: -218.921
where: short stacking energy: -168.096
Base-Backbone interact. energy: -0.131
local terms energy: -321.788536
where:
bonds (distance) C4'-P energy: -80.698
bonds (distance) P-C4' energy: -94.602
flat angles C4'-P-C4' energy: -85.416
flat angles P-C4'-P energy: -51.713
tors. eta vs tors. theta energy: -9.360
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: 7, replica: 5
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -458.345240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.345240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.345240 (E_RNA)
where:
Base-Base interactions energy: -168.782
where: short stacking energy: -149.953
Base-Backbone interact. energy: 1.293
local terms energy: -290.855823
where:
bonds (distance) C4'-P energy: -86.930
bonds (distance) P-C4' energy: -84.096
flat angles C4'-P-C4' energy: -76.864
flat angles P-C4'-P energy: -39.834
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: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -404.611397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.611397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.611397 (E_RNA)
where:
Base-Base interactions energy: -154.584
where: short stacking energy: -127.771
Base-Backbone interact. energy: -0.340
local terms energy: -249.687374
where:
bonds (distance) C4'-P energy: -69.438
bonds (distance) P-C4' energy: -74.239
flat angles C4'-P-C4' energy: -69.717
flat angles P-C4'-P energy: -43.279
tors. eta vs tors. theta energy: 6.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -382.505620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.505620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.505620 (E_RNA)
where:
Base-Base interactions energy: -133.288
where: short stacking energy: -125.717
Base-Backbone interact. energy: -0.423
local terms energy: -248.794187
where:
bonds (distance) C4'-P energy: -70.285
bonds (distance) P-C4' energy: -65.342
flat angles C4'-P-C4' energy: -75.043
flat angles P-C4'-P energy: -32.137
tors. eta vs tors. theta energy: -5.988
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: 10, replica: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -369.587518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.587518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.587518 (E_RNA)
where:
Base-Base interactions energy: -116.399
where: short stacking energy: -102.837
Base-Backbone interact. energy: -0.404
local terms energy: -252.784794
where:
bonds (distance) C4'-P energy: -61.964
bonds (distance) P-C4' energy: -81.781
flat angles C4'-P-C4' energy: -63.424
flat angles P-C4'-P energy: -45.600
tors. eta vs tors. theta energy: -0.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1107.708858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.708858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.708858 (E_RNA)
where:
Base-Base interactions energy: -645.866
where: short stacking energy: -383.393
Base-Backbone interact. energy: -0.170
local terms energy: -461.672965
where:
bonds (distance) C4'-P energy: -94.802
bonds (distance) P-C4' energy: -103.095
flat angles C4'-P-C4' energy: -87.104
flat angles P-C4'-P energy: -60.390
tors. eta vs tors. theta energy: -116.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -982.172940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.172940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.172940 (E_RNA)
where:
Base-Base interactions energy: -546.011
where: short stacking energy: -350.744
Base-Backbone interact. energy: -0.723
local terms energy: -435.439043
where:
bonds (distance) C4'-P energy: -100.395
bonds (distance) P-C4' energy: -85.344
flat angles C4'-P-C4' energy: -102.909
flat angles P-C4'-P energy: -58.577
tors. eta vs tors. theta energy: -88.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -930.366598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.366598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.366598 (E_RNA)
where:
Base-Base interactions energy: -541.269
where: short stacking energy: -311.389
Base-Backbone interact. energy: -3.002
local terms energy: -386.095649
where:
bonds (distance) C4'-P energy: -78.405
bonds (distance) P-C4' energy: -78.393
flat angles C4'-P-C4' energy: -95.300
flat angles P-C4'-P energy: -50.646
tors. eta vs tors. theta energy: -83.351
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: 40
Temperature: 1.050000
Total energy: -753.721336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.721336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.721336 (E_RNA)
where:
Base-Base interactions energy: -364.587
where: short stacking energy: -249.913
Base-Backbone interact. energy: -0.891
local terms energy: -388.243441
where:
bonds (distance) C4'-P energy: -90.648
bonds (distance) P-C4' energy: -99.239
flat angles C4'-P-C4' energy: -96.505
flat angles P-C4'-P energy: -53.276
tors. eta vs tors. theta energy: -48.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -708.011068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.011068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.011068 (E_RNA)
where:
Base-Base interactions energy: -375.236
where: short stacking energy: -238.281
Base-Backbone interact. energy: 3.106
local terms energy: -335.881393
where:
bonds (distance) C4'-P energy: -79.951
bonds (distance) P-C4' energy: -83.027
flat angles C4'-P-C4' energy: -76.434
flat angles P-C4'-P energy: -48.472
tors. eta vs tors. theta energy: -47.997
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: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -520.610461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.610461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.610461 (E_RNA)
where:
Base-Base interactions energy: -222.541
where: short stacking energy: -159.599
Base-Backbone interact. energy: -1.050
local terms energy: -297.018638
where:
bonds (distance) C4'-P energy: -74.467
bonds (distance) P-C4' energy: -87.010
flat angles C4'-P-C4' energy: -84.067
flat angles P-C4'-P energy: -35.977
tors. eta vs tors. theta energy: -15.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -449.961622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.961622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.961622 (E_RNA)
where:
Base-Base interactions energy: -166.788
where: short stacking energy: -106.295
Base-Backbone interact. energy: -2.290
local terms energy: -280.884493
where:
bonds (distance) C4'-P energy: -75.822
bonds (distance) P-C4' energy: -92.873
flat angles C4'-P-C4' energy: -86.830
flat angles P-C4'-P energy: -33.839
tors. eta vs tors. theta energy: 8.480
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: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -432.142910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.142910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.142910 (E_RNA)
where:
Base-Base interactions energy: -135.159
where: short stacking energy: -124.927
Base-Backbone interact. energy: 2.076
local terms energy: -299.060184
where:
bonds (distance) C4'-P energy: -95.577
bonds (distance) P-C4' energy: -84.966
flat angles C4'-P-C4' energy: -83.884
flat angles P-C4'-P energy: -34.562
tors. eta vs tors. theta energy: -0.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -390.244093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.244093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.244093 (E_RNA)
where:
Base-Base interactions energy: -126.780
where: short stacking energy: -113.201
Base-Backbone interact. energy: -0.776
local terms energy: -262.688332
where:
bonds (distance) C4'-P energy: -84.184
bonds (distance) P-C4' energy: -74.162
flat angles C4'-P-C4' energy: -64.164
flat angles P-C4'-P energy: -45.354
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: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -357.296204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.296204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.296204 (E_RNA)
where:
Base-Base interactions energy: -132.342
where: short stacking energy: -96.216
Base-Backbone interact. energy: -1.118
local terms energy: -223.836096
where:
bonds (distance) C4'-P energy: -62.682
bonds (distance) P-C4' energy: -82.399
flat angles C4'-P-C4' energy: -74.587
flat angles P-C4'-P energy: -27.526
tors. eta vs tors. theta energy: 23.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1155.098802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.098802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.098802 (E_RNA)
where:
Base-Base interactions energy: -675.560
where: short stacking energy: -401.512
Base-Backbone interact. energy: 0.570
local terms energy: -480.108844
where:
bonds (distance) C4'-P energy: -86.756
bonds (distance) P-C4' energy: -96.772
flat angles C4'-P-C4' energy: -106.975
flat angles P-C4'-P energy: -59.066
tors. eta vs tors. theta energy: -130.540
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: 2, replica: 6
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -982.738414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.738414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.738414 (E_RNA)
where:
Base-Base interactions energy: -559.477
where: short stacking energy: -340.595
Base-Backbone interact. energy: -1.253
local terms energy: -422.007969
where:
bonds (distance) C4'-P energy: -92.013
bonds (distance) P-C4' energy: -96.157
flat angles C4'-P-C4' energy: -88.660
flat angles P-C4'-P energy: -54.914
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: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -903.154060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.154060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.154060 (E_RNA)
where:
Base-Base interactions energy: -498.728
where: short stacking energy: -291.923
Base-Backbone interact. energy: -2.239
local terms energy: -402.187295
where:
bonds (distance) C4'-P energy: -88.868
bonds (distance) P-C4' energy: -95.940
flat angles C4'-P-C4' energy: -90.568
flat angles P-C4'-P energy: -62.379
tors. eta vs tors. theta energy: -64.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -782.798625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.798625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.798625 (E_RNA)
where:
Base-Base interactions energy: -399.533
where: short stacking energy: -256.198
Base-Backbone interact. energy: 1.382
local terms energy: -384.648336
where:
bonds (distance) C4'-P energy: -80.768
bonds (distance) P-C4' energy: -89.562
flat angles C4'-P-C4' energy: -100.661
flat angles P-C4'-P energy: -52.621
tors. eta vs tors. theta energy: -61.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -697.372956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.372956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.372956 (E_RNA)
where:
Base-Base interactions energy: -371.106
where: short stacking energy: -223.202
Base-Backbone interact. energy: -1.112
local terms energy: -325.155215
where:
bonds (distance) C4'-P energy: -79.527
bonds (distance) P-C4' energy: -87.008
flat angles C4'-P-C4' energy: -80.394
flat angles P-C4'-P energy: -45.336
tors. eta vs tors. theta energy: -32.890
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: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -541.178026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.178026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.178026 (E_RNA)
where:
Base-Base interactions energy: -220.575
where: short stacking energy: -169.775
Base-Backbone interact. energy: 4.035
local terms energy: -324.638008
where:
bonds (distance) C4'-P energy: -94.688
bonds (distance) P-C4' energy: -87.861
flat angles C4'-P-C4' energy: -81.699
flat angles P-C4'-P energy: -44.597
tors. eta vs tors. theta energy: -15.793
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: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -480.764625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.764625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.764625 (E_RNA)
where:
Base-Base interactions energy: -177.388
where: short stacking energy: -151.634
Base-Backbone interact. energy: -0.620
local terms energy: -302.756756
where:
bonds (distance) C4'-P energy: -83.463
bonds (distance) P-C4' energy: -93.674
flat angles C4'-P-C4' energy: -73.721
flat angles P-C4'-P energy: -45.860
tors. eta vs tors. theta energy: -6.039
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: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -405.454739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.454739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.454739 (E_RNA)
where:
Base-Base interactions energy: -131.049
where: short stacking energy: -124.015
Base-Backbone interact. energy: -1.445
local terms energy: -272.960524
where:
bonds (distance) C4'-P energy: -74.857
bonds (distance) P-C4' energy: -90.694
flat angles C4'-P-C4' energy: -60.250
flat angles P-C4'-P energy: -48.407
tors. eta vs tors. theta energy: 1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -379.040359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.040359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.040359 (E_RNA)
where:
Base-Base interactions energy: -138.446
where: short stacking energy: -121.175
Base-Backbone interact. energy: 1.949
local terms energy: -242.543385
where:
bonds (distance) C4'-P energy: -76.785
bonds (distance) P-C4' energy: -65.553
flat angles C4'-P-C4' energy: -68.948
flat angles P-C4'-P energy: -41.706
tors. eta vs tors. theta energy: 10.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -387.046230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.046230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.046230 (E_RNA)
where:
Base-Base interactions energy: -134.994
where: short stacking energy: -124.270
Base-Backbone interact. energy: -0.187
local terms energy: -251.865476
where:
bonds (distance) C4'-P energy: -70.911
bonds (distance) P-C4' energy: -84.924
flat angles C4'-P-C4' energy: -63.693
flat angles P-C4'-P energy: -24.248
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: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1133.130421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.130421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.130421 (E_RNA)
where:
Base-Base interactions energy: -658.802
where: short stacking energy: -425.910
Base-Backbone interact. energy: 1.885
local terms energy: -476.213605
where:
bonds (distance) C4'-P energy: -79.245
bonds (distance) P-C4' energy: -102.223
flat angles C4'-P-C4' energy: -105.268
flat angles P-C4'-P energy: -64.601
tors. eta vs tors. theta energy: -124.877
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: 6
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1002.633388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.633388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.633388 (E_RNA)
where:
Base-Base interactions energy: -576.022
where: short stacking energy: -354.129
Base-Backbone interact. energy: -1.360
local terms energy: -425.251021
where:
bonds (distance) C4'-P energy: -104.502
bonds (distance) P-C4' energy: -94.684
flat angles C4'-P-C4' energy: -90.846
flat angles P-C4'-P energy: -59.479
tors. eta vs tors. theta energy: -75.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -916.824603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.824603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.824603 (E_RNA)
where:
Base-Base interactions energy: -509.689
where: short stacking energy: -325.681
Base-Backbone interact. energy: -0.209
local terms energy: -406.926801
where:
bonds (distance) C4'-P energy: -81.622
bonds (distance) P-C4' energy: -91.801
flat angles C4'-P-C4' energy: -89.433
flat angles P-C4'-P energy: -62.392
tors. eta vs tors. theta energy: -81.679
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: 42
Temperature: 1.050000
Total energy: -785.594729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.594729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.594729 (E_RNA)
where:
Base-Base interactions energy: -410.459
where: short stacking energy: -274.755
Base-Backbone interact. energy: 2.489
local terms energy: -377.624592
where:
bonds (distance) C4'-P energy: -77.514
bonds (distance) P-C4' energy: -81.458
flat angles C4'-P-C4' energy: -92.351
flat angles P-C4'-P energy: -57.369
tors. eta vs tors. theta energy: -68.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -716.182750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.182750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.182750 (E_RNA)
where:
Base-Base interactions energy: -368.514
where: short stacking energy: -219.421
Base-Backbone interact. energy: -1.620
local terms energy: -346.048757
where:
bonds (distance) C4'-P energy: -78.880
bonds (distance) P-C4' energy: -95.360
flat angles C4'-P-C4' energy: -81.359
flat angles P-C4'-P energy: -55.568
tors. eta vs tors. theta energy: -34.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -527.213516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.213516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.213516 (E_RNA)
where:
Base-Base interactions energy: -215.138
where: short stacking energy: -171.517
Base-Backbone interact. energy: 2.080
local terms energy: -314.155682
where:
bonds (distance) C4'-P energy: -77.508
bonds (distance) P-C4' energy: -87.403
flat angles C4'-P-C4' energy: -74.976
flat angles P-C4'-P energy: -53.779
tors. eta vs tors. theta energy: -20.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -485.816432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.816432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.816432 (E_RNA)
where:
Base-Base interactions energy: -174.251
where: short stacking energy: -149.271
Base-Backbone interact. energy: -0.719
local terms energy: -310.845903
where:
bonds (distance) C4'-P energy: -81.546
bonds (distance) P-C4' energy: -88.585
flat angles C4'-P-C4' energy: -77.458
flat angles P-C4'-P energy: -50.158
tors. eta vs tors. theta energy: -13.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -409.490241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.490241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.490241 (E_RNA)
where:
Base-Base interactions energy: -123.717
where: short stacking energy: -115.286
Base-Backbone interact. energy: -1.290
local terms energy: -284.482699
where:
bonds (distance) C4'-P energy: -72.773
bonds (distance) P-C4' energy: -88.499
flat angles C4'-P-C4' energy: -71.745
flat angles P-C4'-P energy: -54.024
tors. eta vs tors. theta energy: 2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -363.926682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.926682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.926682 (E_RNA)
where:
Base-Base interactions energy: -129.261
where: short stacking energy: -110.592
Base-Backbone interact. energy: 0.293
local terms energy: -234.958417
where:
bonds (distance) C4'-P energy: -73.374
bonds (distance) P-C4' energy: -73.582
flat angles C4'-P-C4' energy: -64.364
flat angles P-C4'-P energy: -24.606
tors. eta vs tors. theta energy: 0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -359.842044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.842044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.842044 (E_RNA)
where:
Base-Base interactions energy: -119.422
where: short stacking energy: -114.933
Base-Backbone interact. energy: -1.598
local terms energy: -238.822609
where:
bonds (distance) C4'-P energy: -67.558
bonds (distance) P-C4' energy: -77.818
flat angles C4'-P-C4' energy: -70.268
flat angles P-C4'-P energy: -25.474
tors. eta vs tors. theta energy: 2.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1135.861755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.861755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.861755 (E_RNA)
where:
Base-Base interactions energy: -642.341
where: short stacking energy: -417.897
Base-Backbone interact. energy: 1.767
local terms energy: -495.287581
where:
bonds (distance) C4'-P energy: -96.415
bonds (distance) P-C4' energy: -101.368
flat angles C4'-P-C4' energy: -106.563
flat angles P-C4'-P energy: -67.445
tors. eta vs tors. theta energy: -123.497
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: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1023.222947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.222947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.222947 (E_RNA)
where:
Base-Base interactions energy: -614.421
where: short stacking energy: -376.249
Base-Backbone interact. energy: -1.072
local terms energy: -407.729983
where:
bonds (distance) C4'-P energy: -84.849
bonds (distance) P-C4' energy: -81.961
flat angles C4'-P-C4' energy: -89.402
flat angles P-C4'-P energy: -56.304
tors. eta vs tors. theta energy: -95.215
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: 43
Temperature: 1.000000
Total energy: -874.823548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.823548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.823548 (E_RNA)
where:
Base-Base interactions energy: -482.208
where: short stacking energy: -270.352
Base-Backbone interact. energy: -2.682
local terms energy: -389.933345
where:
bonds (distance) C4'-P energy: -80.021
bonds (distance) P-C4' energy: -94.593
flat angles C4'-P-C4' energy: -95.982
flat angles P-C4'-P energy: -65.663
tors. eta vs tors. theta energy: -53.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -764.909361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.909361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.909361 (E_RNA)
where:
Base-Base interactions energy: -394.484
where: short stacking energy: -268.914
Base-Backbone interact. energy: -2.083
local terms energy: -368.343139
where:
bonds (distance) C4'-P energy: -78.356
bonds (distance) P-C4' energy: -85.699
flat angles C4'-P-C4' energy: -84.055
flat angles P-C4'-P energy: -60.931
tors. eta vs tors. theta energy: -59.303
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: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -739.375185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.375185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.375185 (E_RNA)
where:
Base-Base interactions energy: -394.704
where: short stacking energy: -244.890
Base-Backbone interact. energy: 4.375
local terms energy: -349.045949
where:
bonds (distance) C4'-P energy: -79.681
bonds (distance) P-C4' energy: -86.600
flat angles C4'-P-C4' energy: -82.913
flat angles P-C4'-P energy: -51.432
tors. eta vs tors. theta energy: -48.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -524.211384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.211384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.211384 (E_RNA)
where:
Base-Base interactions energy: -206.056
where: short stacking energy: -179.256
Base-Backbone interact. energy: 1.252
local terms energy: -319.406970
where:
bonds (distance) C4'-P energy: -77.002
bonds (distance) P-C4' energy: -72.890
flat angles C4'-P-C4' energy: -90.210
flat angles P-C4'-P energy: -49.677
tors. eta vs tors. theta energy: -29.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -470.466916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.466916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.466916 (E_RNA)
where:
Base-Base interactions energy: -163.251
where: short stacking energy: -143.664
Base-Backbone interact. energy: 1.289
local terms energy: -308.504207
where:
bonds (distance) C4'-P energy: -79.159
bonds (distance) P-C4' energy: -91.846
flat angles C4'-P-C4' energy: -57.167
flat angles P-C4'-P energy: -55.051
tors. eta vs tors. theta energy: -25.282
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: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -412.861645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.861645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.861645 (E_RNA)
where:
Base-Base interactions energy: -135.553
where: short stacking energy: -112.842
Base-Backbone interact. energy: -0.860
local terms energy: -276.448306
where:
bonds (distance) C4'-P energy: -75.895
bonds (distance) P-C4' energy: -90.129
flat angles C4'-P-C4' energy: -51.678
flat angles P-C4'-P energy: -61.581
tors. eta vs tors. theta energy: 2.834
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: 9, replica: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -368.108461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.108461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.108461 (E_RNA)
where:
Base-Base interactions energy: -129.457
where: short stacking energy: -106.858
Base-Backbone interact. energy: -0.482
local terms energy: -238.169360
where:
bonds (distance) C4'-P energy: -72.088
bonds (distance) P-C4' energy: -73.538
flat angles C4'-P-C4' energy: -69.229
flat angles P-C4'-P energy: -36.942
tors. eta vs tors. theta energy: 13.628
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: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -361.004589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.004589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.004589 (E_RNA)
where:
Base-Base interactions energy: -120.724
where: short stacking energy: -104.388
Base-Backbone interact. energy: 1.085
local terms energy: -241.365809
where:
bonds (distance) C4'-P energy: -71.942
bonds (distance) P-C4' energy: -76.162
flat angles C4'-P-C4' energy: -59.184
flat angles P-C4'-P energy: -44.551
tors. eta vs tors. theta energy: 10.473
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: 44
Temperature: 0.900000
Total energy: -1112.843808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.843808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.843808 (E_RNA)
where:
Base-Base interactions energy: -632.227
where: short stacking energy: -416.622
Base-Backbone interact. energy: -0.018
local terms energy: -480.598132
where:
bonds (distance) C4'-P energy: -93.331
bonds (distance) P-C4' energy: -91.679
flat angles C4'-P-C4' energy: -98.862
flat angles P-C4'-P energy: -71.915
tors. eta vs tors. theta energy: -124.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1023.310063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.310063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.310063 (E_RNA)
where:
Base-Base interactions energy: -577.401
where: short stacking energy: -348.515
Base-Backbone interact. energy: -0.842
local terms energy: -445.067869
where:
bonds (distance) C4'-P energy: -90.906
bonds (distance) P-C4' energy: -97.982
flat angles C4'-P-C4' energy: -100.532
flat angles P-C4'-P energy: -61.154
tors. eta vs tors. theta energy: -94.494
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: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -870.322130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.322130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.322130 (E_RNA)
where:
Base-Base interactions energy: -494.632
where: short stacking energy: -296.010
Base-Backbone interact. energy: 0.291
local terms energy: -375.981159
where:
bonds (distance) C4'-P energy: -84.028
bonds (distance) P-C4' energy: -86.869
flat angles C4'-P-C4' energy: -87.136
flat angles P-C4'-P energy: -58.955
tors. eta vs tors. theta energy: -58.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -760.152560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.152560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.152560 (E_RNA)
where:
Base-Base interactions energy: -366.292
where: short stacking energy: -265.646
Base-Backbone interact. energy: -1.854
local terms energy: -392.006025
where:
bonds (distance) C4'-P energy: -86.304
bonds (distance) P-C4' energy: -90.747
flat angles C4'-P-C4' energy: -88.755
flat angles P-C4'-P energy: -57.583
tors. eta vs tors. theta energy: -68.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -695.648778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.648778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.648778 (E_RNA)
where:
Base-Base interactions energy: -348.970
where: short stacking energy: -221.073
Base-Backbone interact. energy: -0.520
local terms energy: -346.159150
where:
bonds (distance) C4'-P energy: -88.760
bonds (distance) P-C4' energy: -90.535
flat angles C4'-P-C4' energy: -68.581
flat angles P-C4'-P energy: -54.994
tors. eta vs tors. theta energy: -43.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -563.201536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.201536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.201536 (E_RNA)
where:
Base-Base interactions energy: -235.642
where: short stacking energy: -174.680
Base-Backbone interact. energy: 0.832
local terms energy: -328.390992
where:
bonds (distance) C4'-P energy: -85.938
bonds (distance) P-C4' energy: -90.898
flat angles C4'-P-C4' energy: -79.632
flat angles P-C4'-P energy: -54.328
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: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -463.581330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.581330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.581330 (E_RNA)
where:
Base-Base interactions energy: -156.777
where: short stacking energy: -144.870
Base-Backbone interact. energy: 0.473
local terms energy: -307.276984
where:
bonds (distance) C4'-P energy: -72.424
bonds (distance) P-C4' energy: -83.798
flat angles C4'-P-C4' energy: -76.364
flat angles P-C4'-P energy: -61.650
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: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -402.217388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.217388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.217388 (E_RNA)
where:
Base-Base interactions energy: -119.417
where: short stacking energy: -110.716
Base-Backbone interact. energy: -0.545
local terms energy: -282.254750
where:
bonds (distance) C4'-P energy: -85.261
bonds (distance) P-C4' energy: -85.943
flat angles C4'-P-C4' energy: -77.744
flat angles P-C4'-P energy: -42.451
tors. eta vs tors. theta energy: 9.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -427.332974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.332974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.332974 (E_RNA)
where:
Base-Base interactions energy: -139.259
where: short stacking energy: -123.563
Base-Backbone interact. energy: -1.692
local terms energy: -286.381576
where:
bonds (distance) C4'-P energy: -88.020
bonds (distance) P-C4' energy: -77.079
flat angles C4'-P-C4' energy: -84.945
flat angles P-C4'-P energy: -35.769
tors. eta vs tors. theta energy: -0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -359.893578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.893578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.893578 (E_RNA)
where:
Base-Base interactions energy: -112.742
where: short stacking energy: -106.662
Base-Backbone interact. energy: -0.420
local terms energy: -246.731991
where:
bonds (distance) C4'-P energy: -62.018
bonds (distance) P-C4' energy: -89.298
flat angles C4'-P-C4' energy: -67.612
flat angles P-C4'-P energy: -34.266
tors. eta vs tors. theta energy: 6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1133.513454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.513454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.513454 (E_RNA)
where:
Base-Base interactions energy: -664.263
where: short stacking energy: -414.052
Base-Backbone interact. energy: 1.453
local terms energy: -470.703322
where:
bonds (distance) C4'-P energy: -85.477
bonds (distance) P-C4' energy: -88.228
flat angles C4'-P-C4' energy: -103.735
flat angles P-C4'-P energy: -63.447
tors. eta vs tors. theta energy: -129.817
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: 6
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1046.909764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.909764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.909764 (E_RNA)
where:
Base-Base interactions energy: -606.850
where: short stacking energy: -349.326
Base-Backbone interact. energy: -1.185
local terms energy: -438.874940
where:
bonds (distance) C4'-P energy: -86.838
bonds (distance) P-C4' energy: -94.422
flat angles C4'-P-C4' energy: -104.969
flat angles P-C4'-P energy: -61.218
tors. eta vs tors. theta energy: -91.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -889.771817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.771817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.771817 (E_RNA)
where:
Base-Base interactions energy: -489.344
where: short stacking energy: -300.948
Base-Backbone interact. energy: 0.857
local terms energy: -401.284501
where:
bonds (distance) C4'-P energy: -80.829
bonds (distance) P-C4' energy: -91.014
flat angles C4'-P-C4' energy: -89.640
flat angles P-C4'-P energy: -63.584
tors. eta vs tors. theta energy: -76.218
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: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -806.676174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.676174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.676174 (E_RNA)
where:
Base-Base interactions energy: -398.301
where: short stacking energy: -265.287
Base-Backbone interact. energy: -1.905
local terms energy: -406.470146
where:
bonds (distance) C4'-P energy: -84.262
bonds (distance) P-C4' energy: -99.546
flat angles C4'-P-C4' energy: -88.117
flat angles P-C4'-P energy: -71.538
tors. eta vs tors. theta energy: -63.009
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: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -689.911451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.911451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.911451 (E_RNA)
where:
Base-Base interactions energy: -348.969
where: short stacking energy: -202.144
Base-Backbone interact. energy: -0.138
local terms energy: -340.804689
where:
bonds (distance) C4'-P energy: -85.261
bonds (distance) P-C4' energy: -88.069
flat angles C4'-P-C4' energy: -79.351
flat angles P-C4'-P energy: -56.239
tors. eta vs tors. theta energy: -31.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -544.681869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.681869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.681869 (E_RNA)
where:
Base-Base interactions energy: -231.371
where: short stacking energy: -178.031
Base-Backbone interact. energy: -1.593
local terms energy: -311.718251
where:
bonds (distance) C4'-P energy: -92.255
bonds (distance) P-C4' energy: -79.035
flat angles C4'-P-C4' energy: -79.801
flat angles P-C4'-P energy: -43.915
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -500.127892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.127892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.127892 (E_RNA)
where:
Base-Base interactions energy: -231.598
where: short stacking energy: -150.357
Base-Backbone interact. energy: -1.668
local terms energy: -266.862212
where:
bonds (distance) C4'-P energy: -78.964
bonds (distance) P-C4' energy: -76.496
flat angles C4'-P-C4' energy: -72.372
flat angles P-C4'-P energy: -47.268
tors. eta vs tors. theta energy: 8.238
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: 9
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -399.600820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.600820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.600820 (E_RNA)
where:
Base-Base interactions energy: -145.084
where: short stacking energy: -135.593
Base-Backbone interact. energy: 0.178
local terms energy: -254.695143
where:
bonds (distance) C4'-P energy: -70.041
bonds (distance) P-C4' energy: -80.111
flat angles C4'-P-C4' energy: -64.819
flat angles P-C4'-P energy: -29.017
tors. eta vs tors. theta energy: -10.707
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: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -404.737540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.737540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.737540 (E_RNA)
where:
Base-Base interactions energy: -142.168
where: short stacking energy: -133.840
Base-Backbone interact. energy: 8.603
local terms energy: -271.172579
where:
bonds (distance) C4'-P energy: -64.910
bonds (distance) P-C4' energy: -86.807
flat angles C4'-P-C4' energy: -80.780
flat angles P-C4'-P energy: -36.244
tors. eta vs tors. theta energy: -2.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -344.266106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.266106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.266106 (E_RNA)
where:
Base-Base interactions energy: -107.026
where: short stacking energy: -93.508
Base-Backbone interact. energy: 8.361
local terms energy: -245.601585
where:
bonds (distance) C4'-P energy: -80.445
bonds (distance) P-C4' energy: -59.209
flat angles C4'-P-C4' energy: -67.006
flat angles P-C4'-P energy: -45.563
tors. eta vs tors. theta energy: 6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1155.145549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.145549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.145549 (E_RNA)
where:
Base-Base interactions energy: -673.710
where: short stacking energy: -414.179
Base-Backbone interact. energy: -1.933
local terms energy: -479.503063
where:
bonds (distance) C4'-P energy: -94.696
bonds (distance) P-C4' energy: -97.682
flat angles C4'-P-C4' energy: -103.294
flat angles P-C4'-P energy: -61.472
tors. eta vs tors. theta energy: -122.360
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: 6
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1056.872855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.872855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.872855 (E_RNA)
where:
Base-Base interactions energy: -613.432
where: short stacking energy: -374.506
Base-Backbone interact. energy: -0.611
local terms energy: -442.830022
where:
bonds (distance) C4'-P energy: -86.009
bonds (distance) P-C4' energy: -102.623
flat angles C4'-P-C4' energy: -96.429
flat angles P-C4'-P energy: -59.843
tors. eta vs tors. theta energy: -97.926
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: 3, replica: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -888.769913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.769913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.769913 (E_RNA)
where:
Base-Base interactions energy: -519.696
where: short stacking energy: -308.419
Base-Backbone interact. energy: -0.689
local terms energy: -368.385053
where:
bonds (distance) C4'-P energy: -74.747
bonds (distance) P-C4' energy: -85.262
flat angles C4'-P-C4' energy: -82.435
flat angles P-C4'-P energy: -51.253
tors. eta vs tors. theta energy: -74.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -758.532723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.532723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.532723 (E_RNA)
where:
Base-Base interactions energy: -395.807
where: short stacking energy: -273.988
Base-Backbone interact. energy: -1.386
local terms energy: -361.339400
where:
bonds (distance) C4'-P energy: -71.059
bonds (distance) P-C4' energy: -93.109
flat angles C4'-P-C4' energy: -91.891
flat angles P-C4'-P energy: -35.531
tors. eta vs tors. theta energy: -69.749
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: 5, replica: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -743.361908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.361908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.361908 (E_RNA)
where:
Base-Base interactions energy: -386.336
where: short stacking energy: -227.638
Base-Backbone interact. energy: -1.222
local terms energy: -355.804032
where:
bonds (distance) C4'-P energy: -91.226
bonds (distance) P-C4' energy: -91.984
flat angles C4'-P-C4' energy: -89.282
flat angles P-C4'-P energy: -43.895
tors. eta vs tors. theta energy: -39.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -517.794635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.794635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.794635 (E_RNA)
where:
Base-Base interactions energy: -217.183
where: short stacking energy: -194.252
Base-Backbone interact. energy: 1.523
local terms energy: -302.134660
where:
bonds (distance) C4'-P energy: -88.363
bonds (distance) P-C4' energy: -71.848
flat angles C4'-P-C4' energy: -72.502
flat angles P-C4'-P energy: -42.805
tors. eta vs tors. theta energy: -26.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -490.838146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.838146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.838146 (E_RNA)
where:
Base-Base interactions energy: -219.082
where: short stacking energy: -161.446
Base-Backbone interact. energy: -0.180
local terms energy: -271.575667
where:
bonds (distance) C4'-P energy: -64.565
bonds (distance) P-C4' energy: -93.924
flat angles C4'-P-C4' energy: -58.766
flat angles P-C4'-P energy: -49.752
tors. eta vs tors. theta energy: -4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -398.597745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.597745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.597745 (E_RNA)
where:
Base-Base interactions energy: -122.853
where: short stacking energy: -101.505
Base-Backbone interact. energy: -2.508
local terms energy: -273.237261
where:
bonds (distance) C4'-P energy: -73.765
bonds (distance) P-C4' energy: -91.277
flat angles C4'-P-C4' energy: -67.529
flat angles P-C4'-P energy: -46.566
tors. eta vs tors. theta energy: 5.901
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: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -378.454004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.454004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.454004 (E_RNA)
where:
Base-Base interactions energy: -114.882
where: short stacking energy: -100.126
Base-Backbone interact. energy: -0.120
local terms energy: -263.452083
where:
bonds (distance) C4'-P energy: -73.337
bonds (distance) P-C4' energy: -84.558
flat angles C4'-P-C4' energy: -77.161
flat angles P-C4'-P energy: -38.496
tors. eta vs tors. theta energy: 10.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -359.052854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.052854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.052854 (E_RNA)
where:
Base-Base interactions energy: -97.145
where: short stacking energy: -89.010
Base-Backbone interact. energy: -0.901
local terms energy: -261.006960
where:
bonds (distance) C4'-P energy: -74.248
bonds (distance) P-C4' energy: -81.621
flat angles C4'-P-C4' energy: -81.590
flat angles P-C4'-P energy: -29.431
tors. eta vs tors. theta energy: 5.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1144.607239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.607239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.607239 (E_RNA)
where:
Base-Base interactions energy: -679.116
where: short stacking energy: -414.672
Base-Backbone interact. energy: -0.475
local terms energy: -465.016437
where:
bonds (distance) C4'-P energy: -98.062
bonds (distance) P-C4' energy: -89.668
flat angles C4'-P-C4' energy: -83.430
flat angles P-C4'-P energy: -66.466
tors. eta vs tors. theta energy: -127.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1040.202995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.202995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.202995 (E_RNA)
where:
Base-Base interactions energy: -601.289
where: short stacking energy: -377.037
Base-Backbone interact. energy: -1.715
local terms energy: -437.198512
where:
bonds (distance) C4'-P energy: -90.452
bonds (distance) P-C4' energy: -103.011
flat angles C4'-P-C4' energy: -92.962
flat angles P-C4'-P energy: -58.917
tors. eta vs tors. theta energy: -91.857
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: 47
Temperature: 1.000000
Total energy: -816.634980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.634980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.634980 (E_RNA)
where:
Base-Base interactions energy: -431.611
where: short stacking energy: -263.832
Base-Backbone interact. energy: -1.098
local terms energy: -383.925752
where:
bonds (distance) C4'-P energy: -100.344
bonds (distance) P-C4' energy: -83.246
flat angles C4'-P-C4' energy: -92.138
flat angles P-C4'-P energy: -56.041
tors. eta vs tors. theta energy: -52.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -771.299458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.299458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.299458 (E_RNA)
where:
Base-Base interactions energy: -391.684
where: short stacking energy: -259.445
Base-Backbone interact. energy: 4.634
local terms energy: -384.249419
where:
bonds (distance) C4'-P energy: -81.843
bonds (distance) P-C4' energy: -78.780
flat angles C4'-P-C4' energy: -92.124
flat angles P-C4'-P energy: -63.792
tors. eta vs tors. theta energy: -67.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -765.831608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.831608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.831608 (E_RNA)
where:
Base-Base interactions energy: -408.398
where: short stacking energy: -263.487
Base-Backbone interact. energy: -2.293
local terms energy: -355.140150
where:
bonds (distance) C4'-P energy: -73.024
bonds (distance) P-C4' energy: -74.948
flat angles C4'-P-C4' energy: -91.255
flat angles P-C4'-P energy: -58.599
tors. eta vs tors. theta energy: -57.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -520.737645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.737645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.737645 (E_RNA)
where:
Base-Base interactions energy: -214.595
where: short stacking energy: -189.844
Base-Backbone interact. energy: -0.880
local terms energy: -305.262060
where:
bonds (distance) C4'-P energy: -72.823
bonds (distance) P-C4' energy: -86.124
flat angles C4'-P-C4' energy: -70.846
flat angles P-C4'-P energy: -48.267
tors. eta vs tors. theta energy: -27.203
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: 1
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -439.296829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.296829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.296829 (E_RNA)
where:
Base-Base interactions energy: -149.059
where: short stacking energy: -137.536
Base-Backbone interact. energy: -2.062
local terms energy: -288.175642
where:
bonds (distance) C4'-P energy: -87.253
bonds (distance) P-C4' energy: -79.960
flat angles C4'-P-C4' energy: -78.508
flat angles P-C4'-P energy: -45.135
tors. eta vs tors. theta energy: 2.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -436.711701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.711701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.711701 (E_RNA)
where:
Base-Base interactions energy: -171.382
where: short stacking energy: -148.621
Base-Backbone interact. energy: 0.789
local terms energy: -266.119393
where:
bonds (distance) C4'-P energy: -92.633
bonds (distance) P-C4' energy: -84.963
flat angles C4'-P-C4' energy: -57.344
flat angles P-C4'-P energy: -40.155
tors. eta vs tors. theta energy: 8.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -365.282966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.282966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.282966 (E_RNA)
where:
Base-Base interactions energy: -101.271
where: short stacking energy: -91.887
Base-Backbone interact. energy: -2.218
local terms energy: -261.793877
where:
bonds (distance) C4'-P energy: -74.176
bonds (distance) P-C4' energy: -75.006
flat angles C4'-P-C4' energy: -68.278
flat angles P-C4'-P energy: -46.271
tors. eta vs tors. theta energy: 1.937
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: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -347.085259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.085259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.085259 (E_RNA)
where:
Base-Base interactions energy: -109.335
where: short stacking energy: -104.365
Base-Backbone interact. energy: 2.161
local terms energy: -239.911871
where:
bonds (distance) C4'-P energy: -75.552
bonds (distance) P-C4' energy: -75.061
flat angles C4'-P-C4' energy: -64.615
flat angles P-C4'-P energy: -38.853
tors. eta vs tors. theta energy: 14.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1145.305687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.305687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.305687 (E_RNA)
where:
Base-Base interactions energy: -665.844
where: short stacking energy: -409.509
Base-Backbone interact. energy: -0.405
local terms energy: -479.056776
where:
bonds (distance) C4'-P energy: -98.451
bonds (distance) P-C4' energy: -96.845
flat angles C4'-P-C4' energy: -98.504
flat angles P-C4'-P energy: -60.038
tors. eta vs tors. theta energy: -125.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -990.219880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.219880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.219880 (E_RNA)
where:
Base-Base interactions energy: -551.179
where: short stacking energy: -350.584
Base-Backbone interact. energy: -0.705
local terms energy: -438.335571
where:
bonds (distance) C4'-P energy: -85.744
bonds (distance) P-C4' energy: -90.706
flat angles C4'-P-C4' energy: -94.210
flat angles P-C4'-P energy: -71.619
tors. eta vs tors. theta energy: -96.057
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: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -837.231916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.231916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.231916 (E_RNA)
where:
Base-Base interactions energy: -436.225
where: short stacking energy: -251.543
Base-Backbone interact. energy: -2.262
local terms energy: -398.745058
where:
bonds (distance) C4'-P energy: -96.852
bonds (distance) P-C4' energy: -95.574
flat angles C4'-P-C4' energy: -93.674
flat angles P-C4'-P energy: -66.199
tors. eta vs tors. theta energy: -46.446
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: 48
Temperature: 1.050000
Total energy: -774.386595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.386595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.386595 (E_RNA)
where:
Base-Base interactions energy: -391.106
where: short stacking energy: -255.073
Base-Backbone interact. energy: 1.272
local terms energy: -384.552560
where:
bonds (distance) C4'-P energy: -97.133
bonds (distance) P-C4' energy: -77.887
flat angles C4'-P-C4' energy: -86.571
flat angles P-C4'-P energy: -67.098
tors. eta vs tors. theta energy: -55.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -746.383102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.383102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.383102 (E_RNA)
where:
Base-Base interactions energy: -414.643
where: short stacking energy: -240.053
Base-Backbone interact. energy: -1.067
local terms energy: -330.673022
where:
bonds (distance) C4'-P energy: -90.168
bonds (distance) P-C4' energy: -75.765
flat angles C4'-P-C4' energy: -76.438
flat angles P-C4'-P energy: -45.988
tors. eta vs tors. theta energy: -42.314
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: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -472.375956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.375956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.375956 (E_RNA)
where:
Base-Base interactions energy: -179.379
where: short stacking energy: -139.155
Base-Backbone interact. energy: -0.676
local terms energy: -292.320777
where:
bonds (distance) C4'-P energy: -72.657
bonds (distance) P-C4' energy: -89.827
flat angles C4'-P-C4' energy: -77.299
flat angles P-C4'-P energy: -46.734
tors. eta vs tors. theta energy: -5.804
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: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -460.994352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.994352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.994352 (E_RNA)
where:
Base-Base interactions energy: -182.244
where: short stacking energy: -163.182
Base-Backbone interact. energy: -0.437
local terms energy: -278.313766
where:
bonds (distance) C4'-P energy: -82.908
bonds (distance) P-C4' energy: -80.899
flat angles C4'-P-C4' energy: -60.416
flat angles P-C4'-P energy: -45.411
tors. eta vs tors. theta energy: -8.680
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: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -420.130027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.130027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.130027 (E_RNA)
where:
Base-Base interactions energy: -147.552
where: short stacking energy: -122.727
Base-Backbone interact. energy: 2.505
local terms energy: -275.083073
where:
bonds (distance) C4'-P energy: -64.559
bonds (distance) P-C4' energy: -70.101
flat angles C4'-P-C4' energy: -84.937
flat angles P-C4'-P energy: -50.196
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -375.446858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.446858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.446858 (E_RNA)
where:
Base-Base interactions energy: -126.512
where: short stacking energy: -104.874
Base-Backbone interact. energy: -3.472
local terms energy: -245.462286
where:
bonds (distance) C4'-P energy: -91.793
bonds (distance) P-C4' energy: -83.117
flat angles C4'-P-C4' energy: -59.276
flat angles P-C4'-P energy: -28.966
tors. eta vs tors. theta energy: 17.690
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: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -345.913831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.913831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.913831 (E_RNA)
where:
Base-Base interactions energy: -100.754
where: short stacking energy: -91.975
Base-Backbone interact. energy: 0.382
local terms energy: -245.542226
where:
bonds (distance) C4'-P energy: -78.270
bonds (distance) P-C4' energy: -85.602
flat angles C4'-P-C4' energy: -68.014
flat angles P-C4'-P energy: -35.846
tors. eta vs tors. theta energy: 22.189
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: 49
Temperature: 0.900000
Total energy: -1150.815499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.815499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.815499 (E_RNA)
where:
Base-Base interactions energy: -676.174
where: short stacking energy: -404.486
Base-Backbone interact. energy: -2.756
local terms energy: -471.885269
where:
bonds (distance) C4'-P energy: -99.370
bonds (distance) P-C4' energy: -90.908
flat angles C4'-P-C4' energy: -89.919
flat angles P-C4'-P energy: -67.918
tors. eta vs tors. theta energy: -123.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1044.602560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.602560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.602560 (E_RNA)
where:
Base-Base interactions energy: -589.213
where: short stacking energy: -363.128
Base-Backbone interact. energy: -0.652
local terms energy: -454.737382
where:
bonds (distance) C4'-P energy: -88.276
bonds (distance) P-C4' energy: -94.296
flat angles C4'-P-C4' energy: -106.208
flat angles P-C4'-P energy: -61.448
tors. eta vs tors. theta energy: -104.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -927.176397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.176397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.176397 (E_RNA)
where:
Base-Base interactions energy: -525.839
where: short stacking energy: -300.064
Base-Backbone interact. energy: 0.573
local terms energy: -401.910539
where:
bonds (distance) C4'-P energy: -92.564
bonds (distance) P-C4' energy: -87.804
flat angles C4'-P-C4' energy: -86.528
flat angles P-C4'-P energy: -61.700
tors. eta vs tors. theta energy: -73.314
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: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -807.028507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.028507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.028507 (E_RNA)
where:
Base-Base interactions energy: -451.172
where: short stacking energy: -278.198
Base-Backbone interact. energy: -0.062
local terms energy: -355.794072
where:
bonds (distance) C4'-P energy: -67.808
bonds (distance) P-C4' energy: -80.138
flat angles C4'-P-C4' energy: -97.932
flat angles P-C4'-P energy: -42.050
tors. eta vs tors. theta energy: -67.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -721.499347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.499347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.499347 (E_RNA)
where:
Base-Base interactions energy: -370.996
where: short stacking energy: -262.450
Base-Backbone interact. energy: -0.786
local terms energy: -349.717246
where:
bonds (distance) C4'-P energy: -74.570
bonds (distance) P-C4' energy: -75.164
flat angles C4'-P-C4' energy: -78.472
flat angles P-C4'-P energy: -56.249
tors. eta vs tors. theta energy: -65.261
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: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -486.059111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.059111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.059111 (E_RNA)
where:
Base-Base interactions energy: -179.033
where: short stacking energy: -147.035
Base-Backbone interact. energy: 2.496
local terms energy: -309.522123
where:
bonds (distance) C4'-P energy: -72.779
bonds (distance) P-C4' energy: -84.028
flat angles C4'-P-C4' energy: -76.015
flat angles P-C4'-P energy: -54.121
tors. eta vs tors. theta energy: -22.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -451.690739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.690739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.690739 (E_RNA)
where:
Base-Base interactions energy: -182.334
where: short stacking energy: -147.595
Base-Backbone interact. energy: 0.657
local terms energy: -270.013670
where:
bonds (distance) C4'-P energy: -78.482
bonds (distance) P-C4' energy: -88.612
flat angles C4'-P-C4' energy: -65.718
flat angles P-C4'-P energy: -39.227
tors. eta vs tors. theta energy: 2.024
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: 5
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -428.556622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.556622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.556622 (E_RNA)
where:
Base-Base interactions energy: -132.836
where: short stacking energy: -100.936
Base-Backbone interact. energy: 2.244
local terms energy: -297.964253
where:
bonds (distance) C4'-P energy: -78.992
bonds (distance) P-C4' energy: -89.375
flat angles C4'-P-C4' energy: -79.123
flat angles P-C4'-P energy: -58.827
tors. eta vs tors. theta energy: 8.353
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: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -368.486832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.486832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.486832 (E_RNA)
where:
Base-Base interactions energy: -129.661
where: short stacking energy: -109.888
Base-Backbone interact. energy: -1.882
local terms energy: -236.943418
where:
bonds (distance) C4'-P energy: -61.551
bonds (distance) P-C4' energy: -83.503
flat angles C4'-P-C4' energy: -57.725
flat angles P-C4'-P energy: -44.071
tors. eta vs tors. theta energy: 9.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -358.150011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.150011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.150011 (E_RNA)
where:
Base-Base interactions energy: -124.389
where: short stacking energy: -112.632
Base-Backbone interact. energy: -0.466
local terms energy: -233.294556
where:
bonds (distance) C4'-P energy: -45.814
bonds (distance) P-C4' energy: -80.272
flat angles C4'-P-C4' energy: -73.969
flat angles P-C4'-P energy: -47.615
tors. eta vs tors. theta energy: 14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1112.390659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.390659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.390659 (E_RNA)
where:
Base-Base interactions energy: -662.424
where: short stacking energy: -381.533
Base-Backbone interact. energy: 2.341
local terms energy: -452.308090
where:
bonds (distance) C4'-P energy: -75.522
bonds (distance) P-C4' energy: -86.825
flat angles C4'-P-C4' energy: -104.832
flat angles P-C4'-P energy: -72.163
tors. eta vs tors. theta energy: -112.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -986.919400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.919400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.919400 (E_RNA)
where:
Base-Base interactions energy: -544.145
where: short stacking energy: -352.312
Base-Backbone interact. energy: -0.428
local terms energy: -442.346707
where:
bonds (distance) C4'-P energy: -78.382
bonds (distance) P-C4' energy: -104.125
flat angles C4'-P-C4' energy: -102.956
flat angles P-C4'-P energy: -56.388
tors. eta vs tors. theta energy: -100.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -912.331701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.331701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.331701 (E_RNA)
where:
Base-Base interactions energy: -518.518
where: short stacking energy: -316.503
Base-Backbone interact. energy: -2.900
local terms energy: -390.913211
where:
bonds (distance) C4'-P energy: -88.461
bonds (distance) P-C4' energy: -79.878
flat angles C4'-P-C4' energy: -81.813
flat angles P-C4'-P energy: -65.549
tors. eta vs tors. theta energy: -75.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -829.714607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.714607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.714607 (E_RNA)
where:
Base-Base interactions energy: -444.115
where: short stacking energy: -248.143
Base-Backbone interact. energy: 2.261
local terms energy: -387.860236
where:
bonds (distance) C4'-P energy: -92.042
bonds (distance) P-C4' energy: -94.966
flat angles C4'-P-C4' energy: -94.313
flat angles P-C4'-P energy: -53.586
tors. eta vs tors. theta energy: -52.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -733.331359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.331359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.331359 (E_RNA)
where:
Base-Base interactions energy: -369.384
where: short stacking energy: -252.945
Base-Backbone interact. energy: -1.207
local terms energy: -362.739851
where:
bonds (distance) C4'-P energy: -77.873
bonds (distance) P-C4' energy: -90.269
flat angles C4'-P-C4' energy: -85.640
flat angles P-C4'-P energy: -55.427
tors. eta vs tors. theta energy: -53.530
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: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -482.450784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.450784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.450784 (E_RNA)
where:
Base-Base interactions energy: -183.492
where: short stacking energy: -153.841
Base-Backbone interact. energy: -1.922
local terms energy: -297.036390
where:
bonds (distance) C4'-P energy: -80.598
bonds (distance) P-C4' energy: -88.861
flat angles C4'-P-C4' energy: -77.472
flat angles P-C4'-P energy: -38.588
tors. eta vs tors. theta energy: -11.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -436.304142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.304142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.304142 (E_RNA)
where:
Base-Base interactions energy: -154.295
where: short stacking energy: -127.804
Base-Backbone interact. energy: -1.974
local terms energy: -280.034918
where:
bonds (distance) C4'-P energy: -70.517
bonds (distance) P-C4' energy: -91.243
flat angles C4'-P-C4' energy: -63.928
flat angles P-C4'-P energy: -53.862
tors. eta vs tors. theta energy: -0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -386.334870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.334870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.334870 (E_RNA)
where:
Base-Base interactions energy: -129.347
where: short stacking energy: -113.286
Base-Backbone interact. energy: 1.354
local terms energy: -258.341565
where:
bonds (distance) C4'-P energy: -90.800
bonds (distance) P-C4' energy: -66.067
flat angles C4'-P-C4' energy: -60.162
flat angles P-C4'-P energy: -47.395
tors. eta vs tors. theta energy: 6.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -393.165914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.165914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.165914 (E_RNA)
where:
Base-Base interactions energy: -128.584
where: short stacking energy: -107.599
Base-Backbone interact. energy: -2.409
local terms energy: -262.172221
where:
bonds (distance) C4'-P energy: -73.960
bonds (distance) P-C4' energy: -86.871
flat angles C4'-P-C4' energy: -61.259
flat angles P-C4'-P energy: -38.636
tors. eta vs tors. theta energy: -1.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -339.214301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.214301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.214301 (E_RNA)
where:
Base-Base interactions energy: -103.311
where: short stacking energy: -54.416
Base-Backbone interact. energy: -0.103
local terms energy: -235.800002
where:
bonds (distance) C4'-P energy: -76.951
bonds (distance) P-C4' energy: -72.645
flat angles C4'-P-C4' energy: -70.737
flat angles P-C4'-P energy: -34.822
tors. eta vs tors. theta energy: 19.354
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: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1176.541718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.541718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.541718 (E_RNA)
where:
Base-Base interactions energy: -683.990
where: short stacking energy: -390.160
Base-Backbone interact. energy: -2.557
local terms energy: -489.994687
where:
bonds (distance) C4'-P energy: -94.514
bonds (distance) P-C4' energy: -95.322
flat angles C4'-P-C4' energy: -104.780
flat angles P-C4'-P energy: -74.138
tors. eta vs tors. theta energy: -121.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -972.237478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.237478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.237478 (E_RNA)
where:
Base-Base interactions energy: -537.135
where: short stacking energy: -329.569
Base-Backbone interact. energy: -0.659
local terms energy: -434.443559
where:
bonds (distance) C4'-P energy: -95.982
bonds (distance) P-C4' energy: -95.700
flat angles C4'-P-C4' energy: -90.740
flat angles P-C4'-P energy: -61.713
tors. eta vs tors. theta energy: -90.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -926.770071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.770071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.770071 (E_RNA)
where:
Base-Base interactions energy: -531.652
where: short stacking energy: -333.556
Base-Backbone interact. energy: -1.952
local terms energy: -393.166648
where:
bonds (distance) C4'-P energy: -84.619
bonds (distance) P-C4' energy: -90.631
flat angles C4'-P-C4' energy: -90.671
flat angles P-C4'-P energy: -48.780
tors. eta vs tors. theta energy: -78.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -824.685370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.685370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.685370 (E_RNA)
where:
Base-Base interactions energy: -442.938
where: short stacking energy: -260.564
Base-Backbone interact. energy: -0.836
local terms energy: -380.911225
where:
bonds (distance) C4'-P energy: -72.472
bonds (distance) P-C4' energy: -93.241
flat angles C4'-P-C4' energy: -91.773
flat angles P-C4'-P energy: -67.589
tors. eta vs tors. theta energy: -55.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -714.830891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.830891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.830891 (E_RNA)
where:
Base-Base interactions energy: -370.556
where: short stacking energy: -242.459
Base-Backbone interact. energy: 1.216
local terms energy: -345.491338
where:
bonds (distance) C4'-P energy: -93.317
bonds (distance) P-C4' energy: -78.804
flat angles C4'-P-C4' energy: -83.780
flat angles P-C4'-P energy: -45.774
tors. eta vs tors. theta energy: -43.817
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: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -507.155248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.155248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.155248 (E_RNA)
where:
Base-Base interactions energy: -181.795
where: short stacking energy: -169.480
Base-Backbone interact. energy: -2.024
local terms energy: -323.336280
where:
bonds (distance) C4'-P energy: -83.422
bonds (distance) P-C4' energy: -85.356
flat angles C4'-P-C4' energy: -81.040
flat angles P-C4'-P energy: -56.064
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -445.459774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.459774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.459774 (E_RNA)
where:
Base-Base interactions energy: -145.844
where: short stacking energy: -125.940
Base-Backbone interact. energy: -0.247
local terms energy: -299.368726
where:
bonds (distance) C4'-P energy: -85.358
bonds (distance) P-C4' energy: -80.633
flat angles C4'-P-C4' energy: -75.766
flat angles P-C4'-P energy: -52.851
tors. eta vs tors. theta energy: -4.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -425.272748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.272748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.272748 (E_RNA)
where:
Base-Base interactions energy: -136.644
where: short stacking energy: -122.412
Base-Backbone interact. energy: 1.273
local terms energy: -289.901448
where:
bonds (distance) C4'-P energy: -82.091
bonds (distance) P-C4' energy: -81.053
flat angles C4'-P-C4' energy: -71.286
flat angles P-C4'-P energy: -51.333
tors. eta vs tors. theta energy: -4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -363.595089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.595089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.595089 (E_RNA)
where:
Base-Base interactions energy: -127.921
where: short stacking energy: -104.987
Base-Backbone interact. energy: 3.639
local terms energy: -239.312596
where:
bonds (distance) C4'-P energy: -78.069
bonds (distance) P-C4' energy: -75.619
flat angles C4'-P-C4' energy: -59.565
flat angles P-C4'-P energy: -42.630
tors. eta vs tors. theta energy: 16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -347.557849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.557849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.557849 (E_RNA)
where:
Base-Base interactions energy: -122.995
where: short stacking energy: -108.095
Base-Backbone interact. energy: 1.256
local terms energy: -225.818964
where:
bonds (distance) C4'-P energy: -71.598
bonds (distance) P-C4' energy: -73.807
flat angles C4'-P-C4' energy: -64.137
flat angles P-C4'-P energy: -20.009
tors. eta vs tors. theta energy: 3.732
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: 52
Temperature: 0.900000
Total energy: -1131.226766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.226766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.226766 (E_RNA)
where:
Base-Base interactions energy: -671.944
where: short stacking energy: -380.728
Base-Backbone interact. energy: 2.912
local terms energy: -462.195144
where:
bonds (distance) C4'-P energy: -86.178
bonds (distance) P-C4' energy: -97.127
flat angles C4'-P-C4' energy: -105.454
flat angles P-C4'-P energy: -60.073
tors. eta vs tors. theta energy: -113.363
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: 6
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -983.367996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.367996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.367996 (E_RNA)
where:
Base-Base interactions energy: -548.394
where: short stacking energy: -345.204
Base-Backbone interact. energy: 0.361
local terms energy: -435.334971
where:
bonds (distance) C4'-P energy: -92.581
bonds (distance) P-C4' energy: -92.656
flat angles C4'-P-C4' energy: -107.745
flat angles P-C4'-P energy: -52.142
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: 3, replica: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -921.101265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.101265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.101265 (E_RNA)
where:
Base-Base interactions energy: -534.170
where: short stacking energy: -317.492
Base-Backbone interact. energy: -1.840
local terms energy: -385.091426
where:
bonds (distance) C4'-P energy: -82.774
bonds (distance) P-C4' energy: -91.418
flat angles C4'-P-C4' energy: -87.927
flat angles P-C4'-P energy: -49.866
tors. eta vs tors. theta energy: -73.107
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: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -810.431653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.431653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.431653 (E_RNA)
where:
Base-Base interactions energy: -426.872
where: short stacking energy: -258.421
Base-Backbone interact. energy: -3.821
local terms energy: -379.739475
where:
bonds (distance) C4'-P energy: -77.169
bonds (distance) P-C4' energy: -88.862
flat angles C4'-P-C4' energy: -95.614
flat angles P-C4'-P energy: -62.161
tors. eta vs tors. theta energy: -55.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -717.504882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.504882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.504882 (E_RNA)
where:
Base-Base interactions energy: -367.533
where: short stacking energy: -210.564
Base-Backbone interact. energy: 3.267
local terms energy: -353.238941
where:
bonds (distance) C4'-P energy: -96.933
bonds (distance) P-C4' energy: -95.307
flat angles C4'-P-C4' energy: -76.541
flat angles P-C4'-P energy: -48.389
tors. eta vs tors. theta energy: -36.068
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: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -471.813191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.813191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.813191 (E_RNA)
where:
Base-Base interactions energy: -177.504
where: short stacking energy: -135.671
Base-Backbone interact. energy: 0.256
local terms energy: -294.564809
where:
bonds (distance) C4'-P energy: -72.749
bonds (distance) P-C4' energy: -89.448
flat angles C4'-P-C4' energy: -73.492
flat angles P-C4'-P energy: -57.284
tors. eta vs tors. theta energy: -1.592
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: 5
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -450.236814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.236814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.236814 (E_RNA)
where:
Base-Base interactions energy: -143.590
where: short stacking energy: -115.057
Base-Backbone interact. energy: -0.649
local terms energy: -305.998616
where:
bonds (distance) C4'-P energy: -85.109
bonds (distance) P-C4' energy: -96.108
flat angles C4'-P-C4' energy: -79.505
flat angles P-C4'-P energy: -44.715
tors. eta vs tors. theta energy: -0.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -414.974325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.974325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.974325 (E_RNA)
where:
Base-Base interactions energy: -141.342
where: short stacking energy: -130.226
Base-Backbone interact. energy: 2.289
local terms energy: -275.921671
where:
bonds (distance) C4'-P energy: -85.329
bonds (distance) P-C4' energy: -87.487
flat angles C4'-P-C4' energy: -65.379
flat angles P-C4'-P energy: -41.332
tors. eta vs tors. theta energy: 3.605
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: 52
Temperature: 1.300000
Total energy: -371.272434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.272434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.272434 (E_RNA)
where:
Base-Base interactions energy: -116.385
where: short stacking energy: -96.919
Base-Backbone interact. energy: -0.711
local terms energy: -254.176009
where:
bonds (distance) C4'-P energy: -75.762
bonds (distance) P-C4' energy: -88.642
flat angles C4'-P-C4' energy: -72.945
flat angles P-C4'-P energy: -37.036
tors. eta vs tors. theta energy: 20.208
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: 1
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -356.819635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.819635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.819635 (E_RNA)
where:
Base-Base interactions energy: -133.297
where: short stacking energy: -115.348
Base-Backbone interact. energy: 4.917
local terms energy: -228.440028
where:
bonds (distance) C4'-P energy: -61.503
bonds (distance) P-C4' energy: -67.598
flat angles C4'-P-C4' energy: -73.872
flat angles P-C4'-P energy: -39.579
tors. eta vs tors. theta energy: 14.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1140.685554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.685554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.685554 (E_RNA)
where:
Base-Base interactions energy: -670.397
where: short stacking energy: -390.603
Base-Backbone interact. energy: -1.053
local terms energy: -469.235368
where:
bonds (distance) C4'-P energy: -95.804
bonds (distance) P-C4' energy: -90.176
flat angles C4'-P-C4' energy: -98.344
flat angles P-C4'-P energy: -73.095
tors. eta vs tors. theta energy: -111.816
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: 6
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -991.272596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.272596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.272596 (E_RNA)
where:
Base-Base interactions energy: -563.629
where: short stacking energy: -356.838
Base-Backbone interact. energy: -0.008
local terms energy: -427.636265
where:
bonds (distance) C4'-P energy: -84.883
bonds (distance) P-C4' energy: -80.620
flat angles C4'-P-C4' energy: -108.504
flat angles P-C4'-P energy: -66.095
tors. eta vs tors. theta energy: -87.534
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: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -912.329336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.329336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.329336 (E_RNA)
where:
Base-Base interactions energy: -512.946
where: short stacking energy: -315.143
Base-Backbone interact. energy: 1.054
local terms energy: -400.437143
where:
bonds (distance) C4'-P energy: -88.157
bonds (distance) P-C4' energy: -95.021
flat angles C4'-P-C4' energy: -94.189
flat angles P-C4'-P energy: -47.908
tors. eta vs tors. theta energy: -75.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -780.201479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.201479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.201479 (E_RNA)
where:
Base-Base interactions energy: -395.191
where: short stacking energy: -244.547
Base-Backbone interact. energy: -1.262
local terms energy: -383.749078
where:
bonds (distance) C4'-P energy: -82.179
bonds (distance) P-C4' energy: -93.044
flat angles C4'-P-C4' energy: -84.731
flat angles P-C4'-P energy: -57.707
tors. eta vs tors. theta energy: -66.088
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: 5, replica: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -664.038185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.038185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.038185 (E_RNA)
where:
Base-Base interactions energy: -305.262
where: short stacking energy: -205.908
Base-Backbone interact. energy: 3.299
local terms energy: -362.075040
where:
bonds (distance) C4'-P energy: -90.907
bonds (distance) P-C4' energy: -89.907
flat angles C4'-P-C4' energy: -89.533
flat angles P-C4'-P energy: -61.393
tors. eta vs tors. theta energy: -30.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -519.056765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.056765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.056765 (E_RNA)
where:
Base-Base interactions energy: -200.205
where: short stacking energy: -161.808
Base-Backbone interact. energy: -0.934
local terms energy: -317.917489
where:
bonds (distance) C4'-P energy: -87.005
bonds (distance) P-C4' energy: -87.257
flat angles C4'-P-C4' energy: -72.517
flat angles P-C4'-P energy: -45.434
tors. eta vs tors. theta energy: -25.705
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: 53
Temperature: 1.200000
Total energy: -443.666134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.666134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.666134 (E_RNA)
where:
Base-Base interactions energy: -143.182
where: short stacking energy: -129.914
Base-Backbone interact. energy: -1.000
local terms energy: -299.484258
where:
bonds (distance) C4'-P energy: -78.618
bonds (distance) P-C4' energy: -97.954
flat angles C4'-P-C4' energy: -69.087
flat angles P-C4'-P energy: -45.322
tors. eta vs tors. theta energy: -8.504
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: 53
Temperature: 1.250000
Total energy: -415.328590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.328590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.328590 (E_RNA)
where:
Base-Base interactions energy: -128.231
where: short stacking energy: -125.961
Base-Backbone interact. energy: 2.224
local terms energy: -289.322195
where:
bonds (distance) C4'-P energy: -79.088
bonds (distance) P-C4' energy: -86.544
flat angles C4'-P-C4' energy: -75.556
flat angles P-C4'-P energy: -43.960
tors. eta vs tors. theta energy: -4.174
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: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -376.858176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.858176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.858176 (E_RNA)
where:
Base-Base interactions energy: -111.386
where: short stacking energy: -106.278
Base-Backbone interact. energy: 0.485
local terms energy: -265.957599
where:
bonds (distance) C4'-P energy: -70.649
bonds (distance) P-C4' energy: -82.622
flat angles C4'-P-C4' energy: -70.089
flat angles P-C4'-P energy: -44.171
tors. eta vs tors. theta energy: 1.574
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: 1
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -360.046820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.046820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.046820 (E_RNA)
where:
Base-Base interactions energy: -108.786
where: short stacking energy: -100.410
Base-Backbone interact. energy: 0.688
local terms energy: -251.949655
where:
bonds (distance) C4'-P energy: -69.018
bonds (distance) P-C4' energy: -73.491
flat angles C4'-P-C4' energy: -58.606
flat angles P-C4'-P energy: -46.621
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: 1, replica: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1069.267468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.267468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.267468 (E_RNA)
where:
Base-Base interactions energy: -643.945
where: short stacking energy: -378.615
Base-Backbone interact. energy: -1.248
local terms energy: -424.073700
where:
bonds (distance) C4'-P energy: -84.972
bonds (distance) P-C4' energy: -91.152
flat angles C4'-P-C4' energy: -93.173
flat angles P-C4'-P energy: -55.947
tors. eta vs tors. theta energy: -98.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1004.390032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.390032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.390032 (E_RNA)
where:
Base-Base interactions energy: -571.152
where: short stacking energy: -348.314
Base-Backbone interact. energy: -1.667
local terms energy: -431.570785
where:
bonds (distance) C4'-P energy: -97.277
bonds (distance) P-C4' energy: -102.011
flat angles C4'-P-C4' energy: -100.145
flat angles P-C4'-P energy: -45.002
tors. eta vs tors. theta energy: -87.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -892.480959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.480959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.480959 (E_RNA)
where:
Base-Base interactions energy: -487.249
where: short stacking energy: -288.373
Base-Backbone interact. energy: -0.468
local terms energy: -404.764251
where:
bonds (distance) C4'-P energy: -94.907
bonds (distance) P-C4' energy: -87.711
flat angles C4'-P-C4' energy: -95.366
flat angles P-C4'-P energy: -57.266
tors. eta vs tors. theta energy: -69.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -821.620770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.620770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.620770 (E_RNA)
where:
Base-Base interactions energy: -427.122
where: short stacking energy: -258.011
Base-Backbone interact. energy: -2.001
local terms energy: -392.497590
where:
bonds (distance) C4'-P energy: -94.059
bonds (distance) P-C4' energy: -72.664
flat angles C4'-P-C4' energy: -95.798
flat angles P-C4'-P energy: -67.353
tors. eta vs tors. theta energy: -62.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -687.746762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.746762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.746762 (E_RNA)
where:
Base-Base interactions energy: -336.398
where: short stacking energy: -249.362
Base-Backbone interact. energy: 1.058
local terms energy: -352.406470
where:
bonds (distance) C4'-P energy: -66.726
bonds (distance) P-C4' energy: -86.198
flat angles C4'-P-C4' energy: -91.934
flat angles P-C4'-P energy: -45.686
tors. eta vs tors. theta energy: -61.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -472.394518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.394518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.394518 (E_RNA)
where:
Base-Base interactions energy: -149.030
where: short stacking energy: -125.661
Base-Backbone interact. energy: 5.941
local terms energy: -329.304869
where:
bonds (distance) C4'-P energy: -87.648
bonds (distance) P-C4' energy: -85.299
flat angles C4'-P-C4' energy: -98.100
flat angles P-C4'-P energy: -48.234
tors. eta vs tors. theta energy: -10.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -471.137128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.137128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.137128 (E_RNA)
where:
Base-Base interactions energy: -160.143
where: short stacking energy: -149.160
Base-Backbone interact. energy: 1.113
local terms energy: -312.107276
where:
bonds (distance) C4'-P energy: -90.311
bonds (distance) P-C4' energy: -78.472
flat angles C4'-P-C4' energy: -79.025
flat angles P-C4'-P energy: -46.789
tors. eta vs tors. theta energy: -17.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -414.394829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.394829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.394829 (E_RNA)
where:
Base-Base interactions energy: -131.432
where: short stacking energy: -105.734
Base-Backbone interact. energy: -2.400
local terms energy: -280.562752
where:
bonds (distance) C4'-P energy: -77.195
bonds (distance) P-C4' energy: -89.836
flat angles C4'-P-C4' energy: -63.619
flat angles P-C4'-P energy: -52.184
tors. eta vs tors. theta energy: 2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -386.846651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.846651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.846651 (E_RNA)
where:
Base-Base interactions energy: -137.223
where: short stacking energy: -114.112
Base-Backbone interact. energy: -2.516
local terms energy: -247.107470
where:
bonds (distance) C4'-P energy: -72.945
bonds (distance) P-C4' energy: -77.013
flat angles C4'-P-C4' energy: -68.609
flat angles P-C4'-P energy: -33.844
tors. eta vs tors. theta energy: 5.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -349.351152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.351152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.351152 (E_RNA)
where:
Base-Base interactions energy: -113.280
where: short stacking energy: -90.836
Base-Backbone interact. energy: 2.325
local terms energy: -238.396429
where:
bonds (distance) C4'-P energy: -66.178
bonds (distance) P-C4' energy: -94.054
flat angles C4'-P-C4' energy: -58.678
flat angles P-C4'-P energy: -37.233
tors. eta vs tors. theta energy: 17.746
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: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1125.722570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.722570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.722570 (E_RNA)
where:
Base-Base interactions energy: -652.546
where: short stacking energy: -386.459
Base-Backbone interact. energy: -0.345
local terms energy: -472.831711
where:
bonds (distance) C4'-P energy: -86.329
bonds (distance) P-C4' energy: -91.606
flat angles C4'-P-C4' energy: -107.843
flat angles P-C4'-P energy: -69.699
tors. eta vs tors. theta energy: -117.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -970.539907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.539907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.539907 (E_RNA)
where:
Base-Base interactions energy: -541.497
where: short stacking energy: -324.186
Base-Backbone interact. energy: 2.017
local terms energy: -431.060167
where:
bonds (distance) C4'-P energy: -103.334
bonds (distance) P-C4' energy: -94.662
flat angles C4'-P-C4' energy: -92.703
flat angles P-C4'-P energy: -57.785
tors. eta vs tors. theta energy: -82.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -950.711112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.711112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.711112 (E_RNA)
where:
Base-Base interactions energy: -520.808
where: short stacking energy: -334.661
Base-Backbone interact. energy: -0.349
local terms energy: -429.554168
where:
bonds (distance) C4'-P energy: -85.087
bonds (distance) P-C4' energy: -92.743
flat angles C4'-P-C4' energy: -95.253
flat angles P-C4'-P energy: -64.963
tors. eta vs tors. theta energy: -91.507
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: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -804.512330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.512330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.512330 (E_RNA)
where:
Base-Base interactions energy: -414.679
where: short stacking energy: -269.937
Base-Backbone interact. energy: 1.476
local terms energy: -391.309194
where:
bonds (distance) C4'-P energy: -82.545
bonds (distance) P-C4' energy: -102.773
flat angles C4'-P-C4' energy: -82.831
flat angles P-C4'-P energy: -54.447
tors. eta vs tors. theta energy: -68.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -674.112592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.112592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.112592 (E_RNA)
where:
Base-Base interactions energy: -316.253
where: short stacking energy: -218.813
Base-Backbone interact. energy: 0.361
local terms energy: -358.220341
where:
bonds (distance) C4'-P energy: -81.600
bonds (distance) P-C4' energy: -84.872
flat angles C4'-P-C4' energy: -97.334
flat angles P-C4'-P energy: -56.313
tors. eta vs tors. theta energy: -38.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -494.348597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.348597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.348597 (E_RNA)
where:
Base-Base interactions energy: -188.727
where: short stacking energy: -159.617
Base-Backbone interact. energy: -0.388
local terms energy: -305.233766
where:
bonds (distance) C4'-P energy: -87.494
bonds (distance) P-C4' energy: -84.285
flat angles C4'-P-C4' energy: -81.578
flat angles P-C4'-P energy: -39.123
tors. eta vs tors. theta energy: -12.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -447.782189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.782189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.782189 (E_RNA)
where:
Base-Base interactions energy: -166.301
where: short stacking energy: -130.055
Base-Backbone interact. energy: -2.736
local terms energy: -278.745053
where:
bonds (distance) C4'-P energy: -79.007
bonds (distance) P-C4' energy: -86.322
flat angles C4'-P-C4' energy: -73.509
flat angles P-C4'-P energy: -46.776
tors. eta vs tors. theta energy: 6.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -425.715693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.715693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.715693 (E_RNA)
where:
Base-Base interactions energy: -154.510
where: short stacking energy: -140.902
Base-Backbone interact. energy: -1.382
local terms energy: -269.824415
where:
bonds (distance) C4'-P energy: -60.634
bonds (distance) P-C4' energy: -78.497
flat angles C4'-P-C4' energy: -70.966
flat angles P-C4'-P energy: -54.934
tors. eta vs tors. theta energy: -4.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -385.116275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.116275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.116275 (E_RNA)
where:
Base-Base interactions energy: -122.411
where: short stacking energy: -115.601
Base-Backbone interact. energy: -1.122
local terms energy: -261.582723
where:
bonds (distance) C4'-P energy: -75.028
bonds (distance) P-C4' energy: -83.923
flat angles C4'-P-C4' energy: -75.681
flat angles P-C4'-P energy: -33.269
tors. eta vs tors. theta energy: 6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -366.885648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.885648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.885648 (E_RNA)
where:
Base-Base interactions energy: -113.986
where: short stacking energy: -114.252
Base-Backbone interact. energy: 3.483
local terms energy: -256.383443
where:
bonds (distance) C4'-P energy: -66.135
bonds (distance) P-C4' energy: -76.519
flat angles C4'-P-C4' energy: -66.582
flat angles P-C4'-P energy: -50.520
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: 1, replica: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1130.169422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.169422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.169422 (E_RNA)
where:
Base-Base interactions energy: -666.969
where: short stacking energy: -389.896
Base-Backbone interact. energy: -1.150
local terms energy: -462.049676
where:
bonds (distance) C4'-P energy: -93.652
bonds (distance) P-C4' energy: -84.126
flat angles C4'-P-C4' energy: -106.515
flat angles P-C4'-P energy: -66.982
tors. eta vs tors. theta energy: -110.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -972.575997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.575997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.575997 (E_RNA)
where:
Base-Base interactions energy: -542.977
where: short stacking energy: -334.918
Base-Backbone interact. energy: -0.686
local terms energy: -428.913198
where:
bonds (distance) C4'-P energy: -89.919
bonds (distance) P-C4' energy: -93.066
flat angles C4'-P-C4' energy: -91.385
flat angles P-C4'-P energy: -60.438
tors. eta vs tors. theta energy: -94.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -878.858533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.858533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.858533 (E_RNA)
where:
Base-Base interactions energy: -467.939
where: short stacking energy: -282.351
Base-Backbone interact. energy: -1.635
local terms energy: -409.284694
where:
bonds (distance) C4'-P energy: -80.203
bonds (distance) P-C4' energy: -103.037
flat angles C4'-P-C4' energy: -89.332
flat angles P-C4'-P energy: -66.742
tors. eta vs tors. theta energy: -69.972
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: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -777.204452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.204452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.204452 (E_RNA)
where:
Base-Base interactions energy: -384.462
where: short stacking energy: -229.146
Base-Backbone interact. energy: -2.527
local terms energy: -390.216025
where:
bonds (distance) C4'-P energy: -95.611
bonds (distance) P-C4' energy: -94.814
flat angles C4'-P-C4' energy: -99.778
flat angles P-C4'-P energy: -59.048
tors. eta vs tors. theta energy: -40.965
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: 56
Temperature: 1.100000
Total energy: -726.686675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.686675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.686675 (E_RNA)
where:
Base-Base interactions energy: -388.062
where: short stacking energy: -233.804
Base-Backbone interact. energy: -1.907
local terms energy: -336.717306
where:
bonds (distance) C4'-P energy: -71.197
bonds (distance) P-C4' energy: -93.155
flat angles C4'-P-C4' energy: -75.878
flat angles P-C4'-P energy: -49.525
tors. eta vs tors. theta energy: -46.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -531.624244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.624244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.624244 (E_RNA)
where:
Base-Base interactions energy: -193.810
where: short stacking energy: -162.755
Base-Backbone interact. energy: -1.306
local terms energy: -336.508343
where:
bonds (distance) C4'-P energy: -83.274
bonds (distance) P-C4' energy: -89.506
flat angles C4'-P-C4' energy: -82.719
flat angles P-C4'-P energy: -53.651
tors. eta vs tors. theta energy: -27.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -467.408632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.408632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.408632 (E_RNA)
where:
Base-Base interactions energy: -179.677
where: short stacking energy: -156.084
Base-Backbone interact. energy: -1.815
local terms energy: -285.916350
where:
bonds (distance) C4'-P energy: -83.887
bonds (distance) P-C4' energy: -84.719
flat angles C4'-P-C4' energy: -66.322
flat angles P-C4'-P energy: -41.081
tors. eta vs tors. theta energy: -9.908
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: 5
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -423.195045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.195045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.195045 (E_RNA)
where:
Base-Base interactions energy: -154.927
where: short stacking energy: -154.268
Base-Backbone interact. energy: 0.410
local terms energy: -268.678096
where:
bonds (distance) C4'-P energy: -56.719
bonds (distance) P-C4' energy: -90.040
flat angles C4'-P-C4' energy: -71.242
flat angles P-C4'-P energy: -50.835
tors. eta vs tors. theta energy: 0.158
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: 8
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -382.235062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.235062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.235062 (E_RNA)
where:
Base-Base interactions energy: -129.094
where: short stacking energy: -128.387
Base-Backbone interact. energy: 0.488
local terms energy: -253.629147
where:
bonds (distance) C4'-P energy: -73.703
bonds (distance) P-C4' energy: -89.944
flat angles C4'-P-C4' energy: -66.369
flat angles P-C4'-P energy: -27.892
tors. eta vs tors. theta energy: 4.280
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: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -351.731868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.731868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.731868 (E_RNA)
where:
Base-Base interactions energy: -111.517
where: short stacking energy: -92.663
Base-Backbone interact. energy: -1.126
local terms energy: -239.088988
where:
bonds (distance) C4'-P energy: -77.431
bonds (distance) P-C4' energy: -76.668
flat angles C4'-P-C4' energy: -56.345
flat angles P-C4'-P energy: -43.976
tors. eta vs tors. theta energy: 15.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1144.771312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.771312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.771312 (E_RNA)
where:
Base-Base interactions energy: -665.323
where: short stacking energy: -386.212
Base-Backbone interact. energy: -1.819
local terms energy: -477.629949
where:
bonds (distance) C4'-P energy: -98.254
bonds (distance) P-C4' energy: -102.103
flat angles C4'-P-C4' energy: -101.504
flat angles P-C4'-P energy: -65.931
tors. eta vs tors. theta energy: -109.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -995.016675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.016675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.016675 (E_RNA)
where:
Base-Base interactions energy: -570.244
where: short stacking energy: -352.861
Base-Backbone interact. energy: 0.442
local terms energy: -425.215592
where:
bonds (distance) C4'-P energy: -92.094
bonds (distance) P-C4' energy: -93.298
flat angles C4'-P-C4' energy: -96.957
flat angles P-C4'-P energy: -55.581
tors. eta vs tors. theta energy: -87.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -888.091926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.091926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.091926 (E_RNA)
where:
Base-Base interactions energy: -483.847
where: short stacking energy: -290.431
Base-Backbone interact. energy: -0.956
local terms energy: -403.288814
where:
bonds (distance) C4'-P energy: -79.876
bonds (distance) P-C4' energy: -90.725
flat angles C4'-P-C4' energy: -106.027
flat angles P-C4'-P energy: -56.198
tors. eta vs tors. theta energy: -70.463
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: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -792.531892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.531892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.531892 (E_RNA)
where:
Base-Base interactions energy: -399.081
where: short stacking energy: -249.330
Base-Backbone interact. energy: -0.391
local terms energy: -393.059437
where:
bonds (distance) C4'-P energy: -85.865
bonds (distance) P-C4' energy: -88.691
flat angles C4'-P-C4' energy: -98.667
flat angles P-C4'-P energy: -63.933
tors. eta vs tors. theta energy: -55.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -708.036569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.036569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.036569 (E_RNA)
where:
Base-Base interactions energy: -366.380
where: short stacking energy: -222.493
Base-Backbone interact. energy: -1.720
local terms energy: -339.937432
where:
bonds (distance) C4'-P energy: -78.439
bonds (distance) P-C4' energy: -97.253
flat angles C4'-P-C4' energy: -80.830
flat angles P-C4'-P energy: -45.148
tors. eta vs tors. theta energy: -38.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -562.469130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.469130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.469130 (E_RNA)
where:
Base-Base interactions energy: -213.908
where: short stacking energy: -173.510
Base-Backbone interact. energy: 0.692
local terms energy: -349.253325
where:
bonds (distance) C4'-P energy: -91.961
bonds (distance) P-C4' energy: -82.123
flat angles C4'-P-C4' energy: -99.430
flat angles P-C4'-P energy: -52.271
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: 7, replica: 1
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -470.023771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.023771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.023771 (E_RNA)
where:
Base-Base interactions energy: -178.558
where: short stacking energy: -135.687
Base-Backbone interact. energy: 0.063
local terms energy: -291.528186
where:
bonds (distance) C4'-P energy: -87.438
bonds (distance) P-C4' energy: -84.888
flat angles C4'-P-C4' energy: -68.873
flat angles P-C4'-P energy: -46.924
tors. eta vs tors. theta energy: -3.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -413.071776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.071776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.071776 (E_RNA)
where:
Base-Base interactions energy: -117.165
where: short stacking energy: -109.679
Base-Backbone interact. energy: -0.130
local terms energy: -295.776474
where:
bonds (distance) C4'-P energy: -89.496
bonds (distance) P-C4' energy: -91.901
flat angles C4'-P-C4' energy: -79.591
flat angles P-C4'-P energy: -26.137
tors. eta vs tors. theta energy: -8.651
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: 8
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -388.377524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.377524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.377524 (E_RNA)
where:
Base-Base interactions energy: -104.792
where: short stacking energy: -95.963
Base-Backbone interact. energy: -0.820
local terms energy: -282.765817
where:
bonds (distance) C4'-P energy: -86.441
bonds (distance) P-C4' energy: -88.039
flat angles C4'-P-C4' energy: -66.820
flat angles P-C4'-P energy: -49.425
tors. eta vs tors. theta energy: 7.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -355.199372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.199372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.199372 (E_RNA)
where:
Base-Base interactions energy: -114.353
where: short stacking energy: -93.148
Base-Backbone interact. energy: 1.194
local terms energy: -242.040457
where:
bonds (distance) C4'-P energy: -80.638
bonds (distance) P-C4' energy: -84.245
flat angles C4'-P-C4' energy: -69.169
flat angles P-C4'-P energy: -23.942
tors. eta vs tors. theta energy: 15.953
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: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1121.288556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.288556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.288556 (E_RNA)
where:
Base-Base interactions energy: -664.328
where: short stacking energy: -372.267
Base-Backbone interact. energy: -2.645
local terms energy: -454.315479
where:
bonds (distance) C4'-P energy: -84.555
bonds (distance) P-C4' energy: -100.773
flat angles C4'-P-C4' energy: -106.537
flat angles P-C4'-P energy: -63.335
tors. eta vs tors. theta energy: -99.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -967.718154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.718154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.718154 (E_RNA)
where:
Base-Base interactions energy: -549.989
where: short stacking energy: -346.378
Base-Backbone interact. energy: -1.954
local terms energy: -415.774984
where:
bonds (distance) C4'-P energy: -80.140
bonds (distance) P-C4' energy: -85.977
flat angles C4'-P-C4' energy: -102.279
flat angles P-C4'-P energy: -58.040
tors. eta vs tors. theta energy: -89.338
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: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -913.119826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.119826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.119826 (E_RNA)
where:
Base-Base interactions energy: -509.013
where: short stacking energy: -324.620
Base-Backbone interact. energy: -2.734
local terms energy: -401.372658
where:
bonds (distance) C4'-P energy: -83.566
bonds (distance) P-C4' energy: -87.114
flat angles C4'-P-C4' energy: -94.262
flat angles P-C4'-P energy: -53.035
tors. eta vs tors. theta energy: -83.395
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: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -796.159850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.159850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.159850 (E_RNA)
where:
Base-Base interactions energy: -431.983
where: short stacking energy: -280.598
Base-Backbone interact. energy: -1.152
local terms energy: -363.024379
where:
bonds (distance) C4'-P energy: -85.572
bonds (distance) P-C4' energy: -88.388
flat angles C4'-P-C4' energy: -82.633
flat angles P-C4'-P energy: -42.211
tors. eta vs tors. theta energy: -64.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -675.348016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.348016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.348016 (E_RNA)
where:
Base-Base interactions energy: -326.769
where: short stacking energy: -229.555
Base-Backbone interact. energy: 0.622
local terms energy: -349.200625
where:
bonds (distance) C4'-P energy: -82.486
bonds (distance) P-C4' energy: -101.569
flat angles C4'-P-C4' energy: -78.369
flat angles P-C4'-P energy: -47.905
tors. eta vs tors. theta energy: -38.871
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: 6, replica: 10
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -500.385897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.385897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.385897 (E_RNA)
where:
Base-Base interactions energy: -188.641
where: short stacking energy: -154.889
Base-Backbone interact. energy: -0.715
local terms energy: -311.029712
where:
bonds (distance) C4'-P energy: -88.091
bonds (distance) P-C4' energy: -69.659
flat angles C4'-P-C4' energy: -91.103
flat angles P-C4'-P energy: -58.158
tors. eta vs tors. theta energy: -4.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -468.735204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.735204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.735204 (E_RNA)
where:
Base-Base interactions energy: -164.679
where: short stacking energy: -160.466
Base-Backbone interact. energy: 0.645
local terms energy: -304.701060
where:
bonds (distance) C4'-P energy: -66.694
bonds (distance) P-C4' energy: -87.994
flat angles C4'-P-C4' energy: -80.364
flat angles P-C4'-P energy: -49.510
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -443.360454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.360454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.360454 (E_RNA)
where:
Base-Base interactions energy: -182.313
where: short stacking energy: -118.562
Base-Backbone interact. energy: 1.482
local terms energy: -262.529467
where:
bonds (distance) C4'-P energy: -70.430
bonds (distance) P-C4' energy: -81.423
flat angles C4'-P-C4' energy: -72.975
flat angles P-C4'-P energy: -48.592
tors. eta vs tors. theta energy: 10.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -372.623229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.623229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.623229 (E_RNA)
where:
Base-Base interactions energy: -136.270
where: short stacking energy: -100.041
Base-Backbone interact. energy: -1.142
local terms energy: -235.210875
where:
bonds (distance) C4'-P energy: -75.081
bonds (distance) P-C4' energy: -61.756
flat angles C4'-P-C4' energy: -66.801
flat angles P-C4'-P energy: -37.050
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: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -355.718916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.718916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.718916 (E_RNA)
where:
Base-Base interactions energy: -121.104
where: short stacking energy: -108.832
Base-Backbone interact. energy: 5.137
local terms energy: -239.752089
where:
bonds (distance) C4'-P energy: -73.104
bonds (distance) P-C4' energy: -73.062
flat angles C4'-P-C4' energy: -70.070
flat angles P-C4'-P energy: -23.155
tors. eta vs tors. theta energy: -0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1153.989482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.989482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.989482 (E_RNA)
where:
Base-Base interactions energy: -671.493
where: short stacking energy: -384.127
Base-Backbone interact. energy: -0.220
local terms energy: -482.276773
where:
bonds (distance) C4'-P energy: -103.307
bonds (distance) P-C4' energy: -102.459
flat angles C4'-P-C4' energy: -100.388
flat angles P-C4'-P energy: -65.980
tors. eta vs tors. theta energy: -110.143
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: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -996.047236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.047236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.047236 (E_RNA)
where:
Base-Base interactions energy: -548.751
where: short stacking energy: -346.953
Base-Backbone interact. energy: -1.785
local terms energy: -445.510371
where:
bonds (distance) C4'-P energy: -105.043
bonds (distance) P-C4' energy: -95.346
flat angles C4'-P-C4' energy: -85.438
flat angles P-C4'-P energy: -59.390
tors. eta vs tors. theta energy: -100.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -878.481162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.481162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.481162 (E_RNA)
where:
Base-Base interactions energy: -462.601
where: short stacking energy: -312.437
Base-Backbone interact. energy: -1.411
local terms energy: -414.468275
where:
bonds (distance) C4'-P energy: -90.102
bonds (distance) P-C4' energy: -99.125
flat angles C4'-P-C4' energy: -84.327
flat angles P-C4'-P energy: -71.003
tors. eta vs tors. theta energy: -69.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -814.344710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.344710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.344710 (E_RNA)
where:
Base-Base interactions energy: -454.600
where: short stacking energy: -280.728
Base-Backbone interact. energy: -2.372
local terms energy: -357.372634
where:
bonds (distance) C4'-P energy: -80.944
bonds (distance) P-C4' energy: -87.418
flat angles C4'-P-C4' energy: -80.315
flat angles P-C4'-P energy: -49.954
tors. eta vs tors. theta energy: -58.740
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: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -667.018891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.018891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.018891 (E_RNA)
where:
Base-Base interactions energy: -331.699
where: short stacking energy: -197.577
Base-Backbone interact. energy: -0.035
local terms energy: -335.285108
where:
bonds (distance) C4'-P energy: -79.921
bonds (distance) P-C4' energy: -90.561
flat angles C4'-P-C4' energy: -82.093
flat angles P-C4'-P energy: -54.411
tors. eta vs tors. theta energy: -28.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -471.206873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.206873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.206873 (E_RNA)
where:
Base-Base interactions energy: -181.154
where: short stacking energy: -171.203
Base-Backbone interact. energy: -0.568
local terms energy: -289.485241
where:
bonds (distance) C4'-P energy: -74.776
bonds (distance) P-C4' energy: -80.062
flat angles C4'-P-C4' energy: -72.113
flat angles P-C4'-P energy: -46.426
tors. eta vs tors. theta energy: -16.108
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: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -444.144803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.144803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.144803 (E_RNA)
where:
Base-Base interactions energy: -150.236
where: short stacking energy: -132.403
Base-Backbone interact. energy: -1.545
local terms energy: -292.363818
where:
bonds (distance) C4'-P energy: -80.459
bonds (distance) P-C4' energy: -83.171
flat angles C4'-P-C4' energy: -73.717
flat angles P-C4'-P energy: -56.474
tors. eta vs tors. theta energy: 1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -446.662195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.662195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.662195 (E_RNA)
where:
Base-Base interactions energy: -177.462
where: short stacking energy: -141.359
Base-Backbone interact. energy: -2.240
local terms energy: -266.960506
where:
bonds (distance) C4'-P energy: -71.221
bonds (distance) P-C4' energy: -68.351
flat angles C4'-P-C4' energy: -83.041
flat angles P-C4'-P energy: -42.264
tors. eta vs tors. theta energy: -2.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -399.046244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.046244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.046244 (E_RNA)
where:
Base-Base interactions energy: -129.384
where: short stacking energy: -119.593
Base-Backbone interact. energy: -3.203
local terms energy: -266.458880
where:
bonds (distance) C4'-P energy: -78.041
bonds (distance) P-C4' energy: -84.606
flat angles C4'-P-C4' energy: -70.162
flat angles P-C4'-P energy: -47.792
tors. eta vs tors. theta energy: 14.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -338.898766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.898766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.898766 (E_RNA)
where:
Base-Base interactions energy: -102.367
where: short stacking energy: -80.708
Base-Backbone interact. energy: 4.400
local terms energy: -240.931524
where:
bonds (distance) C4'-P energy: -75.674
bonds (distance) P-C4' energy: -97.074
flat angles C4'-P-C4' energy: -48.215
flat angles P-C4'-P energy: -45.299
tors. eta vs tors. theta energy: 25.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1152.509826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.509826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.509826 (E_RNA)
where:
Base-Base interactions energy: -661.574
where: short stacking energy: -401.435
Base-Backbone interact. energy: -0.864
local terms energy: -490.071910
where:
bonds (distance) C4'-P energy: -101.904
bonds (distance) P-C4' energy: -94.235
flat angles C4'-P-C4' energy: -98.595
flat angles P-C4'-P energy: -73.794
tors. eta vs tors. theta energy: -121.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -981.696466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.696466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.696466 (E_RNA)
where:
Base-Base interactions energy: -551.218
where: short stacking energy: -348.005
Base-Backbone interact. energy: -0.783
local terms energy: -429.695812
where:
bonds (distance) C4'-P energy: -95.446
bonds (distance) P-C4' energy: -97.462
flat angles C4'-P-C4' energy: -77.067
flat angles P-C4'-P energy: -69.650
tors. eta vs tors. theta energy: -90.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -902.698236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.698236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.698236 (E_RNA)
where:
Base-Base interactions energy: -480.645
where: short stacking energy: -310.351
Base-Backbone interact. energy: -2.397
local terms energy: -419.656517
where:
bonds (distance) C4'-P energy: -91.802
bonds (distance) P-C4' energy: -94.489
flat angles C4'-P-C4' energy: -90.620
flat angles P-C4'-P energy: -60.674
tors. eta vs tors. theta energy: -82.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -774.690280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.690280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.690280 (E_RNA)
where:
Base-Base interactions energy: -403.206
where: short stacking energy: -252.076
Base-Backbone interact. energy: 0.767
local terms energy: -372.251765
where:
bonds (distance) C4'-P energy: -90.276
bonds (distance) P-C4' energy: -92.801
flat angles C4'-P-C4' energy: -82.559
flat angles P-C4'-P energy: -52.645
tors. eta vs tors. theta energy: -53.971
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: 7
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -683.923953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.923953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.923953 (E_RNA)
where:
Base-Base interactions energy: -341.178
where: short stacking energy: -234.006
Base-Backbone interact. energy: 2.953
local terms energy: -345.698461
where:
bonds (distance) C4'-P energy: -83.571
bonds (distance) P-C4' energy: -87.432
flat angles C4'-P-C4' energy: -87.287
flat angles P-C4'-P energy: -44.127
tors. eta vs tors. theta energy: -43.283
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: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -493.659745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.659745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.659745 (E_RNA)
where:
Base-Base interactions energy: -161.531
where: short stacking energy: -144.580
Base-Backbone interact. energy: -0.751
local terms energy: -331.378303
where:
bonds (distance) C4'-P energy: -71.035
bonds (distance) P-C4' energy: -94.663
flat angles C4'-P-C4' energy: -79.540
flat angles P-C4'-P energy: -54.733
tors. eta vs tors. theta energy: -31.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -525.562026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.562026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.562026 (E_RNA)
where:
Base-Base interactions energy: -214.811
where: short stacking energy: -160.541
Base-Backbone interact. energy: 0.760
local terms energy: -311.510635
where:
bonds (distance) C4'-P energy: -80.817
bonds (distance) P-C4' energy: -87.091
flat angles C4'-P-C4' energy: -80.079
flat angles P-C4'-P energy: -57.006
tors. eta vs tors. theta energy: -6.518
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: 8, replica: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -419.786229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.786229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.786229 (E_RNA)
where:
Base-Base interactions energy: -150.271
where: short stacking energy: -114.311
Base-Backbone interact. energy: -0.102
local terms energy: -269.412670
where:
bonds (distance) C4'-P energy: -82.981
bonds (distance) P-C4' energy: -84.741
flat angles C4'-P-C4' energy: -62.692
flat angles P-C4'-P energy: -49.497
tors. eta vs tors. theta energy: 10.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -367.174846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.174846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.174846 (E_RNA)
where:
Base-Base interactions energy: -137.635
where: short stacking energy: -106.312
Base-Backbone interact. energy: 3.258
local terms energy: -232.797176
where:
bonds (distance) C4'-P energy: -70.416
bonds (distance) P-C4' energy: -79.456
flat angles C4'-P-C4' energy: -65.295
flat angles P-C4'-P energy: -32.185
tors. eta vs tors. theta energy: 14.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -336.307893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.307893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.307893 (E_RNA)
where:
Base-Base interactions energy: -103.660
where: short stacking energy: -102.713
Base-Backbone interact. energy: 1.511
local terms energy: -234.159375
where:
bonds (distance) C4'-P energy: -72.769
bonds (distance) P-C4' energy: -77.781
flat angles C4'-P-C4' energy: -59.715
flat angles P-C4'-P energy: -35.458
tors. eta vs tors. theta energy: 11.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1161.883840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.883840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.883840 (E_RNA)
where:
Base-Base interactions energy: -672.054
where: short stacking energy: -409.306
Base-Backbone interact. energy: 2.796
local terms energy: -492.626463
where:
bonds (distance) C4'-P energy: -98.687
bonds (distance) P-C4' energy: -92.049
flat angles C4'-P-C4' energy: -108.840
flat angles P-C4'-P energy: -73.093
tors. eta vs tors. theta energy: -119.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1000.763782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.763782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.763782 (E_RNA)
where:
Base-Base interactions energy: -560.448
where: short stacking energy: -352.943
Base-Backbone interact. energy: -1.033
local terms energy: -439.282331
where:
bonds (distance) C4'-P energy: -90.654
bonds (distance) P-C4' energy: -91.479
flat angles C4'-P-C4' energy: -98.721
flat angles P-C4'-P energy: -65.083
tors. eta vs tors. theta energy: -93.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -882.943312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.943312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.943312 (E_RNA)
where:
Base-Base interactions energy: -488.554
where: short stacking energy: -291.842
Base-Backbone interact. energy: 2.578
local terms energy: -396.967722
where:
bonds (distance) C4'-P energy: -87.696
bonds (distance) P-C4' energy: -81.497
flat angles C4'-P-C4' energy: -93.834
flat angles P-C4'-P energy: -67.340
tors. eta vs tors. theta energy: -66.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -800.186664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.186664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.186664 (E_RNA)
where:
Base-Base interactions energy: -415.353
where: short stacking energy: -281.977
Base-Backbone interact. energy: 2.572
local terms energy: -387.405891
where:
bonds (distance) C4'-P energy: -78.997
bonds (distance) P-C4' energy: -88.132
flat angles C4'-P-C4' energy: -89.447
flat angles P-C4'-P energy: -62.136
tors. eta vs tors. theta energy: -68.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -669.185349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.185349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.185349 (E_RNA)
where:
Base-Base interactions energy: -339.239
where: short stacking energy: -237.932
Base-Backbone interact. energy: -1.884
local terms energy: -328.062667
where:
bonds (distance) C4'-P energy: -73.125
bonds (distance) P-C4' energy: -86.426
flat angles C4'-P-C4' energy: -77.567
flat angles P-C4'-P energy: -52.426
tors. eta vs tors. theta energy: -38.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -554.346635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.346635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.346635 (E_RNA)
where:
Base-Base interactions energy: -237.136
where: short stacking energy: -173.776
Base-Backbone interact. energy: -0.452
local terms energy: -316.757687
where:
bonds (distance) C4'-P energy: -84.909
bonds (distance) P-C4' energy: -84.005
flat angles C4'-P-C4' energy: -62.329
flat angles P-C4'-P energy: -49.882
tors. eta vs tors. theta energy: -35.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -481.592222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.592222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.592222 (E_RNA)
where:
Base-Base interactions energy: -201.032
where: short stacking energy: -152.840
Base-Backbone interact. energy: 0.601
local terms energy: -281.161335
where:
bonds (distance) C4'-P energy: -74.596
bonds (distance) P-C4' energy: -86.720
flat angles C4'-P-C4' energy: -65.994
flat angles P-C4'-P energy: -47.363
tors. eta vs tors. theta energy: -6.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -415.953687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.953687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.953687 (E_RNA)
where:
Base-Base interactions energy: -141.097
where: short stacking energy: -118.818
Base-Backbone interact. energy: -0.747
local terms energy: -274.109774
where:
bonds (distance) C4'-P energy: -77.818
bonds (distance) P-C4' energy: -76.374
flat angles C4'-P-C4' energy: -75.009
flat angles P-C4'-P energy: -45.361
tors. eta vs tors. theta energy: 0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -382.193630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.193630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.193630 (E_RNA)
where:
Base-Base interactions energy: -125.680
where: short stacking energy: -121.971
Base-Backbone interact. energy: 1.354
local terms energy: -257.868430
where:
bonds (distance) C4'-P energy: -86.901
bonds (distance) P-C4' energy: -61.727
flat angles C4'-P-C4' energy: -74.845
flat angles P-C4'-P energy: -35.979
tors. eta vs tors. theta energy: 1.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -339.384898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.384898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.384898 (E_RNA)
where:
Base-Base interactions energy: -114.331
where: short stacking energy: -102.395
Base-Backbone interact. energy: 0.415
local terms energy: -225.469324
where:
bonds (distance) C4'-P energy: -62.521
bonds (distance) P-C4' energy: -87.736
flat angles C4'-P-C4' energy: -70.304
flat angles P-C4'-P energy: -23.476
tors. eta vs tors. theta energy: 18.567
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: 1, replica: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1134.589435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.589435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.589435 (E_RNA)
where:
Base-Base interactions energy: -660.065
where: short stacking energy: -387.314
Base-Backbone interact. energy: -0.571
local terms energy: -473.953582
where:
bonds (distance) C4'-P energy: -94.957
bonds (distance) P-C4' energy: -104.604
flat angles C4'-P-C4' energy: -94.105
flat angles P-C4'-P energy: -55.612
tors. eta vs tors. theta energy: -124.676
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: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -993.040552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.040552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.040552 (E_RNA)
where:
Base-Base interactions energy: -554.783
where: short stacking energy: -338.180
Base-Backbone interact. energy: 0.631
local terms energy: -438.888232
where:
bonds (distance) C4'-P energy: -98.026
bonds (distance) P-C4' energy: -85.906
flat angles C4'-P-C4' energy: -100.047
flat angles P-C4'-P energy: -63.234
tors. eta vs tors. theta energy: -91.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -913.524756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.524756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.524756 (E_RNA)
where:
Base-Base interactions energy: -538.511
where: short stacking energy: -309.928
Base-Backbone interact. energy: 0.151
local terms energy: -375.164999
where:
bonds (distance) C4'-P energy: -79.447
bonds (distance) P-C4' energy: -78.187
flat angles C4'-P-C4' energy: -92.241
flat angles P-C4'-P energy: -54.278
tors. eta vs tors. theta energy: -71.013
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: 62
Temperature: 1.050000
Total energy: -817.074255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.074255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.074255 (E_RNA)
where:
Base-Base interactions energy: -432.796
where: short stacking energy: -285.700
Base-Backbone interact. energy: -1.824
local terms energy: -382.453735
where:
bonds (distance) C4'-P energy: -99.994
bonds (distance) P-C4' energy: -91.538
flat angles C4'-P-C4' energy: -78.135
flat angles P-C4'-P energy: -45.569
tors. eta vs tors. theta energy: -67.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -643.005479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.005479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.005479 (E_RNA)
where:
Base-Base interactions energy: -300.208
where: short stacking energy: -220.198
Base-Backbone interact. energy: -1.440
local terms energy: -341.358176
where:
bonds (distance) C4'-P energy: -87.836
bonds (distance) P-C4' energy: -80.848
flat angles C4'-P-C4' energy: -87.461
flat angles P-C4'-P energy: -46.093
tors. eta vs tors. theta energy: -39.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -592.307101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.307101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.307101 (E_RNA)
where:
Base-Base interactions energy: -258.367
where: short stacking energy: -201.434
Base-Backbone interact. energy: -0.179
local terms energy: -333.761282
where:
bonds (distance) C4'-P energy: -75.270
bonds (distance) P-C4' energy: -90.489
flat angles C4'-P-C4' energy: -78.215
flat angles P-C4'-P energy: -59.751
tors. eta vs tors. theta energy: -30.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -449.996358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.996358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.996358 (E_RNA)
where:
Base-Base interactions energy: -162.660
where: short stacking energy: -148.677
Base-Backbone interact. energy: -1.051
local terms energy: -286.285466
where:
bonds (distance) C4'-P energy: -82.902
bonds (distance) P-C4' energy: -85.660
flat angles C4'-P-C4' energy: -67.114
flat angles P-C4'-P energy: -41.564
tors. eta vs tors. theta energy: -9.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -414.483245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.483245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.483245 (E_RNA)
where:
Base-Base interactions energy: -150.873
where: short stacking energy: -123.928
Base-Backbone interact. energy: -1.631
local terms energy: -261.978938
where:
bonds (distance) C4'-P energy: -77.301
bonds (distance) P-C4' energy: -76.573
flat angles C4'-P-C4' energy: -66.705
flat angles P-C4'-P energy: -34.868
tors. eta vs tors. theta energy: -6.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -398.978267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.978267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.978267 (E_RNA)
where:
Base-Base interactions energy: -111.304
where: short stacking energy: -97.278
Base-Backbone interact. energy: -0.428
local terms energy: -287.246635
where:
bonds (distance) C4'-P energy: -87.169
bonds (distance) P-C4' energy: -93.474
flat angles C4'-P-C4' energy: -79.895
flat angles P-C4'-P energy: -45.987
tors. eta vs tors. theta energy: 19.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -341.110258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.110258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.110258 (E_RNA)
where:
Base-Base interactions energy: -114.322
where: short stacking energy: -99.742
Base-Backbone interact. energy: -2.311
local terms energy: -224.477439
where:
bonds (distance) C4'-P energy: -63.562
bonds (distance) P-C4' energy: -72.416
flat angles C4'-P-C4' energy: -57.428
flat angles P-C4'-P energy: -40.776
tors. eta vs tors. theta energy: 9.705
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: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1151.050794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.050794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.050794 (E_RNA)
where:
Base-Base interactions energy: -665.478
where: short stacking energy: -401.608
Base-Backbone interact. energy: -1.631
local terms energy: -483.941813
where:
bonds (distance) C4'-P energy: -99.704
bonds (distance) P-C4' energy: -89.818
flat angles C4'-P-C4' energy: -95.305
flat angles P-C4'-P energy: -67.889
tors. eta vs tors. theta energy: -131.226
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: 6
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1048.827377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.827377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.827377 (E_RNA)
where:
Base-Base interactions energy: -586.726
where: short stacking energy: -370.049
Base-Backbone interact. energy: 1.492
local terms energy: -463.592942
where:
bonds (distance) C4'-P energy: -98.995
bonds (distance) P-C4' energy: -93.183
flat angles C4'-P-C4' energy: -98.510
flat angles P-C4'-P energy: -67.260
tors. eta vs tors. theta energy: -105.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -926.526546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.526546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.526546 (E_RNA)
where:
Base-Base interactions energy: -515.157
where: short stacking energy: -303.793
Base-Backbone interact. energy: 1.674
local terms energy: -413.042673
where:
bonds (distance) C4'-P energy: -91.340
bonds (distance) P-C4' energy: -102.031
flat angles C4'-P-C4' energy: -91.590
flat angles P-C4'-P energy: -56.351
tors. eta vs tors. theta energy: -71.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -825.083790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.083790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.083790 (E_RNA)
where:
Base-Base interactions energy: -431.899
where: short stacking energy: -290.948
Base-Backbone interact. energy: -0.662
local terms energy: -392.523726
where:
bonds (distance) C4'-P energy: -88.905
bonds (distance) P-C4' energy: -88.819
flat angles C4'-P-C4' energy: -86.765
flat angles P-C4'-P energy: -56.494
tors. eta vs tors. theta energy: -71.541
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: 63
Temperature: 1.100000
Total energy: -651.608225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.608225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.608225 (E_RNA)
where:
Base-Base interactions energy: -299.940
where: short stacking energy: -201.484
Base-Backbone interact. energy: -1.258
local terms energy: -350.409992
where:
bonds (distance) C4'-P energy: -86.580
bonds (distance) P-C4' energy: -87.667
flat angles C4'-P-C4' energy: -91.436
flat angles P-C4'-P energy: -59.748
tors. eta vs tors. theta energy: -24.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -557.959470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.959470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.959470 (E_RNA)
where:
Base-Base interactions energy: -234.340
where: short stacking energy: -178.867
Base-Backbone interact. energy: 1.691
local terms energy: -325.310481
where:
bonds (distance) C4'-P energy: -90.477
bonds (distance) P-C4' energy: -89.117
flat angles C4'-P-C4' energy: -74.676
flat angles P-C4'-P energy: -49.038
tors. eta vs tors. theta energy: -22.003
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: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -447.487205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.487205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.487205 (E_RNA)
where:
Base-Base interactions energy: -161.092
where: short stacking energy: -138.994
Base-Backbone interact. energy: -1.061
local terms energy: -285.333791
where:
bonds (distance) C4'-P energy: -82.743
bonds (distance) P-C4' energy: -75.508
flat angles C4'-P-C4' energy: -81.059
flat angles P-C4'-P energy: -43.314
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: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -422.610055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.610055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.610055 (E_RNA)
where:
Base-Base interactions energy: -143.795
where: short stacking energy: -113.066
Base-Backbone interact. energy: 1.545
local terms energy: -280.360018
where:
bonds (distance) C4'-P energy: -82.943
bonds (distance) P-C4' energy: -83.224
flat angles C4'-P-C4' energy: -72.486
flat angles P-C4'-P energy: -34.599
tors. eta vs tors. theta energy: -7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -379.452592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.452592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.452592 (E_RNA)
where:
Base-Base interactions energy: -130.368
where: short stacking energy: -115.443
Base-Backbone interact. energy: 0.631
local terms energy: -249.715696
where:
bonds (distance) C4'-P energy: -71.570
bonds (distance) P-C4' energy: -80.851
flat angles C4'-P-C4' energy: -67.988
flat angles P-C4'-P energy: -49.743
tors. eta vs tors. theta energy: 20.436
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: 1
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -346.276541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.276541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.276541 (E_RNA)
where:
Base-Base interactions energy: -122.273
where: short stacking energy: -107.060
Base-Backbone interact. energy: 12.624
local terms energy: -236.627672
where:
bonds (distance) C4'-P energy: -71.710
bonds (distance) P-C4' energy: -85.220
flat angles C4'-P-C4' energy: -64.082
flat angles P-C4'-P energy: -31.061
tors. eta vs tors. theta energy: 15.445
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: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1165.152918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.152918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.152918 (E_RNA)
where:
Base-Base interactions energy: -667.498
where: short stacking energy: -408.630
Base-Backbone interact. energy: -1.601
local terms energy: -496.053004
where:
bonds (distance) C4'-P energy: -102.828
bonds (distance) P-C4' energy: -97.694
flat angles C4'-P-C4' energy: -102.416
flat angles P-C4'-P energy: -64.470
tors. eta vs tors. theta energy: -128.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1047.611931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.611931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.611931 (E_RNA)
where:
Base-Base interactions energy: -599.523
where: short stacking energy: -360.364
Base-Backbone interact. energy: -0.437
local terms energy: -447.652438
where:
bonds (distance) C4'-P energy: -82.754
bonds (distance) P-C4' energy: -95.519
flat angles C4'-P-C4' energy: -107.549
flat angles P-C4'-P energy: -66.237
tors. eta vs tors. theta energy: -95.594
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: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -930.235518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.235518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.235518 (E_RNA)
where:
Base-Base interactions energy: -525.657
where: short stacking energy: -347.381
Base-Backbone interact. energy: 2.078
local terms energy: -406.655787
where:
bonds (distance) C4'-P energy: -84.444
bonds (distance) P-C4' energy: -91.801
flat angles C4'-P-C4' energy: -81.337
flat angles P-C4'-P energy: -58.888
tors. eta vs tors. theta energy: -90.185
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: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -797.727386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.727386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.727386 (E_RNA)
where:
Base-Base interactions energy: -433.055
where: short stacking energy: -277.193
Base-Backbone interact. energy: -1.029
local terms energy: -363.643123
where:
bonds (distance) C4'-P energy: -75.120
bonds (distance) P-C4' energy: -89.501
flat angles C4'-P-C4' energy: -92.468
flat angles P-C4'-P energy: -52.958
tors. eta vs tors. theta energy: -53.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -655.879175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.879175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.879175 (E_RNA)
where:
Base-Base interactions energy: -294.529
where: short stacking energy: -230.500
Base-Backbone interact. energy: -0.838
local terms energy: -360.511588
where:
bonds (distance) C4'-P energy: -72.195
bonds (distance) P-C4' energy: -93.707
flat angles C4'-P-C4' energy: -91.201
flat angles P-C4'-P energy: -51.425
tors. eta vs tors. theta energy: -51.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -655.855168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.855168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.855168 (E_RNA)
where:
Base-Base interactions energy: -300.983
where: short stacking energy: -218.724
Base-Backbone interact. energy: -1.625
local terms energy: -353.246469
where:
bonds (distance) C4'-P energy: -57.014
bonds (distance) P-C4' energy: -80.440
flat angles C4'-P-C4' energy: -104.201
flat angles P-C4'-P energy: -59.840
tors. eta vs tors. theta energy: -51.751
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: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -443.033634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.033634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.033634 (E_RNA)
where:
Base-Base interactions energy: -149.583
where: short stacking energy: -133.012
Base-Backbone interact. energy: 0.978
local terms energy: -294.428728
where:
bonds (distance) C4'-P energy: -64.433
bonds (distance) P-C4' energy: -97.275
flat angles C4'-P-C4' energy: -76.837
flat angles P-C4'-P energy: -41.539
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: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -451.354714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.354714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.354714 (E_RNA)
where:
Base-Base interactions energy: -153.824
where: short stacking energy: -138.784
Base-Backbone interact. energy: 1.993
local terms energy: -299.524200
where:
bonds (distance) C4'-P energy: -81.505
bonds (distance) P-C4' energy: -94.094
flat angles C4'-P-C4' energy: -64.405
flat angles P-C4'-P energy: -47.897
tors. eta vs tors. theta energy: -11.623
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: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -359.609324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.609324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.609324 (E_RNA)
where:
Base-Base interactions energy: -118.766
where: short stacking energy: -98.549
Base-Backbone interact. energy: 1.657
local terms energy: -242.499614
where:
bonds (distance) C4'-P energy: -75.512
bonds (distance) P-C4' energy: -80.239
flat angles C4'-P-C4' energy: -67.791
flat angles P-C4'-P energy: -39.002
tors. eta vs tors. theta energy: 20.044
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: 5
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -343.319713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.319713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.319713 (E_RNA)
where:
Base-Base interactions energy: -109.046
where: short stacking energy: -92.879
Base-Backbone interact. energy: -2.274
local terms energy: -231.999828
where:
bonds (distance) C4'-P energy: -79.833
bonds (distance) P-C4' energy: -65.751
flat angles C4'-P-C4' energy: -66.268
flat angles P-C4'-P energy: -49.838
tors. eta vs tors. theta energy: 29.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1140.954549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.954549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.954549 (E_RNA)
where:
Base-Base interactions energy: -671.401
where: short stacking energy: -417.132
Base-Backbone interact. energy: -0.796
local terms energy: -468.756964
where:
bonds (distance) C4'-P energy: -90.247
bonds (distance) P-C4' energy: -99.537
flat angles C4'-P-C4' energy: -101.975
flat angles P-C4'-P energy: -59.261
tors. eta vs tors. theta energy: -117.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1082.287038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.287038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.287038 (E_RNA)
where:
Base-Base interactions energy: -634.827
where: short stacking energy: -338.978
Base-Backbone interact. energy: -1.920
local terms energy: -445.540304
where:
bonds (distance) C4'-P energy: -88.469
bonds (distance) P-C4' energy: -89.524
flat angles C4'-P-C4' energy: -103.866
flat angles P-C4'-P energy: -62.136
tors. eta vs tors. theta energy: -101.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -903.107487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.107487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.107487 (E_RNA)
where:
Base-Base interactions energy: -484.530
where: short stacking energy: -299.077
Base-Backbone interact. energy: -4.341
local terms energy: -414.236354
where:
bonds (distance) C4'-P energy: -90.840
bonds (distance) P-C4' energy: -99.441
flat angles C4'-P-C4' energy: -76.156
flat angles P-C4'-P energy: -62.507
tors. eta vs tors. theta energy: -85.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -836.717647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.717647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.717647 (E_RNA)
where:
Base-Base interactions energy: -446.416
where: short stacking energy: -284.686
Base-Backbone interact. energy: 2.171
local terms energy: -392.472435
where:
bonds (distance) C4'-P energy: -82.851
bonds (distance) P-C4' energy: -85.457
flat angles C4'-P-C4' energy: -94.823
flat angles P-C4'-P energy: -70.197
tors. eta vs tors. theta energy: -59.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -651.252134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.252134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.252134 (E_RNA)
where:
Base-Base interactions energy: -295.399
where: short stacking energy: -221.013
Base-Backbone interact. energy: -0.288
local terms energy: -355.564822
where:
bonds (distance) C4'-P energy: -85.030
bonds (distance) P-C4' energy: -89.129
flat angles C4'-P-C4' energy: -81.720
flat angles P-C4'-P energy: -56.790
tors. eta vs tors. theta energy: -42.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -635.058405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.058405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.058405 (E_RNA)
where:
Base-Base interactions energy: -306.554
where: short stacking energy: -195.372
Base-Backbone interact. energy: -1.398
local terms energy: -327.105724
where:
bonds (distance) C4'-P energy: -73.930
bonds (distance) P-C4' energy: -94.830
flat angles C4'-P-C4' energy: -85.474
flat angles P-C4'-P energy: -44.402
tors. eta vs tors. theta energy: -28.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -439.645117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.645117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.645117 (E_RNA)
where:
Base-Base interactions energy: -168.095
where: short stacking energy: -141.222
Base-Backbone interact. energy: -1.936
local terms energy: -269.614010
where:
bonds (distance) C4'-P energy: -84.566
bonds (distance) P-C4' energy: -81.917
flat angles C4'-P-C4' energy: -75.056
flat angles P-C4'-P energy: -38.434
tors. eta vs tors. theta energy: 10.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -396.036315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.036315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.036315 (E_RNA)
where:
Base-Base interactions energy: -142.987
where: short stacking energy: -117.150
Base-Backbone interact. energy: -1.308
local terms energy: -251.741378
where:
bonds (distance) C4'-P energy: -79.384
bonds (distance) P-C4' energy: -89.471
flat angles C4'-P-C4' energy: -53.397
flat angles P-C4'-P energy: -44.583
tors. eta vs tors. theta energy: 15.093
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: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -369.249182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.249182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.249182 (E_RNA)
where:
Base-Base interactions energy: -114.307
where: short stacking energy: -108.628
Base-Backbone interact. energy: -0.438
local terms energy: -254.504263
where:
bonds (distance) C4'-P energy: -78.864
bonds (distance) P-C4' energy: -88.743
flat angles C4'-P-C4' energy: -72.611
flat angles P-C4'-P energy: -22.674
tors. eta vs tors. theta energy: 8.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -348.608596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.608596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.608596 (E_RNA)
where:
Base-Base interactions energy: -118.792
where: short stacking energy: -104.990
Base-Backbone interact. energy: 2.016
local terms energy: -231.833242
where:
bonds (distance) C4'-P energy: -78.446
bonds (distance) P-C4' energy: -77.067
flat angles C4'-P-C4' energy: -52.565
flat angles P-C4'-P energy: -39.732
tors. eta vs tors. theta energy: 15.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1156.063476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.063476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.063476 (E_RNA)
where:
Base-Base interactions energy: -681.996
where: short stacking energy: -400.609
Base-Backbone interact. energy: -1.651
local terms energy: -472.416200
where:
bonds (distance) C4'-P energy: -88.780
bonds (distance) P-C4' energy: -103.046
flat angles C4'-P-C4' energy: -105.465
flat angles P-C4'-P energy: -62.176
tors. eta vs tors. theta energy: -112.951
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: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1111.441795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.441795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.441795 (E_RNA)
where:
Base-Base interactions energy: -675.646
where: short stacking energy: -394.086
Base-Backbone interact. energy: 0.940
local terms energy: -436.735947
where:
bonds (distance) C4'-P energy: -82.392
bonds (distance) P-C4' energy: -92.425
flat angles C4'-P-C4' energy: -91.968
flat angles P-C4'-P energy: -59.193
tors. eta vs tors. theta energy: -110.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -886.237736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.237736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.237736 (E_RNA)
where:
Base-Base interactions energy: -475.919
where: short stacking energy: -297.336
Base-Backbone interact. energy: 0.090
local terms energy: -410.408938
where:
bonds (distance) C4'-P energy: -81.301
bonds (distance) P-C4' energy: -98.601
flat angles C4'-P-C4' energy: -95.369
flat angles P-C4'-P energy: -56.987
tors. eta vs tors. theta energy: -78.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -822.914199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.914199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.914199 (E_RNA)
where:
Base-Base interactions energy: -459.408
where: short stacking energy: -269.810
Base-Backbone interact. energy: 0.146
local terms energy: -363.651886
where:
bonds (distance) C4'-P energy: -69.816
bonds (distance) P-C4' energy: -94.290
flat angles C4'-P-C4' energy: -86.884
flat angles P-C4'-P energy: -49.206
tors. eta vs tors. theta energy: -63.456
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: 5, replica: 7
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -664.714753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.714753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.714753 (E_RNA)
where:
Base-Base interactions energy: -338.065
where: short stacking energy: -224.958
Base-Backbone interact. energy: 1.476
local terms energy: -328.125802
where:
bonds (distance) C4'-P energy: -98.046
bonds (distance) P-C4' energy: -78.399
flat angles C4'-P-C4' energy: -75.214
flat angles P-C4'-P energy: -49.289
tors. eta vs tors. theta energy: -27.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -572.536778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.536778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.536778 (E_RNA)
where:
Base-Base interactions energy: -276.562
where: short stacking energy: -192.031
Base-Backbone interact. energy: -1.516
local terms energy: -294.458746
where:
bonds (distance) C4'-P energy: -67.345
bonds (distance) P-C4' energy: -75.426
flat angles C4'-P-C4' energy: -84.709
flat angles P-C4'-P energy: -57.386
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: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -449.131640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.131640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.131640 (E_RNA)
where:
Base-Base interactions energy: -151.328
where: short stacking energy: -140.415
Base-Backbone interact. energy: 0.163
local terms energy: -297.966691
where:
bonds (distance) C4'-P energy: -79.907
bonds (distance) P-C4' energy: -80.051
flat angles C4'-P-C4' energy: -85.021
flat angles P-C4'-P energy: -42.598
tors. eta vs tors. theta energy: -10.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -391.438140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.438140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.438140 (E_RNA)
where:
Base-Base interactions energy: -149.025
where: short stacking energy: -106.118
Base-Backbone interact. energy: 4.088
local terms energy: -246.501207
where:
bonds (distance) C4'-P energy: -74.100
bonds (distance) P-C4' energy: -82.507
flat angles C4'-P-C4' energy: -67.680
flat angles P-C4'-P energy: -39.770
tors. eta vs tors. theta energy: 17.556
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: 8
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -400.651006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.651006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.651006 (E_RNA)
where:
Base-Base interactions energy: -131.860
where: short stacking energy: -116.626
Base-Backbone interact. energy: -0.384
local terms energy: -268.406992
where:
bonds (distance) C4'-P energy: -71.805
bonds (distance) P-C4' energy: -80.303
flat angles C4'-P-C4' energy: -67.745
flat angles P-C4'-P energy: -49.700
tors. eta vs tors. theta energy: 1.146
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: 10, replica: 5
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -360.400999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.400999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.400999 (E_RNA)
where:
Base-Base interactions energy: -129.828
where: short stacking energy: -107.963
Base-Backbone interact. energy: 0.027
local terms energy: -230.599360
where:
bonds (distance) C4'-P energy: -55.885
bonds (distance) P-C4' energy: -73.294
flat angles C4'-P-C4' energy: -64.172
flat angles P-C4'-P energy: -37.216
tors. eta vs tors. theta energy: -0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1139.259258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.259258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.259258 (E_RNA)
where:
Base-Base interactions energy: -673.073
where: short stacking energy: -392.068
Base-Backbone interact. energy: -1.853
local terms energy: -464.332484
where:
bonds (distance) C4'-P energy: -85.137
bonds (distance) P-C4' energy: -107.685
flat angles C4'-P-C4' energy: -98.989
flat angles P-C4'-P energy: -59.530
tors. eta vs tors. theta energy: -112.992
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: 2, replica: 6
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1121.527444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.527444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.527444 (E_RNA)
where:
Base-Base interactions energy: -671.858
where: short stacking energy: -374.519
Base-Backbone interact. energy: -0.165
local terms energy: -449.504000
where:
bonds (distance) C4'-P energy: -94.017
bonds (distance) P-C4' energy: -94.770
flat angles C4'-P-C4' energy: -103.192
flat angles P-C4'-P energy: -47.214
tors. eta vs tors. theta energy: -110.311
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: 67
Temperature: 1.000000
Total energy: -932.683628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.683628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.683628 (E_RNA)
where:
Base-Base interactions energy: -519.544
where: short stacking energy: -321.246
Base-Backbone interact. energy: -1.026
local terms energy: -412.113833
where:
bonds (distance) C4'-P energy: -81.072
bonds (distance) P-C4' energy: -77.962
flat angles C4'-P-C4' energy: -99.964
flat angles P-C4'-P energy: -60.101
tors. eta vs tors. theta energy: -93.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -800.336975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.336975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.336975 (E_RNA)
where:
Base-Base interactions energy: -410.926
where: short stacking energy: -227.240
Base-Backbone interact. energy: 0.855
local terms energy: -390.266458
where:
bonds (distance) C4'-P energy: -88.888
bonds (distance) P-C4' energy: -104.188
flat angles C4'-P-C4' energy: -82.798
flat angles P-C4'-P energy: -57.332
tors. eta vs tors. theta energy: -57.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -634.140003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.140003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.140003 (E_RNA)
where:
Base-Base interactions energy: -305.161
where: short stacking energy: -195.874
Base-Backbone interact. energy: 0.271
local terms energy: -329.250377
where:
bonds (distance) C4'-P energy: -83.553
bonds (distance) P-C4' energy: -81.847
flat angles C4'-P-C4' energy: -79.917
flat angles P-C4'-P energy: -54.961
tors. eta vs tors. theta energy: -28.973
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: 9
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -589.767503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.767503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.767503 (E_RNA)
where:
Base-Base interactions energy: -263.612
where: short stacking energy: -209.778
Base-Backbone interact. energy: -1.315
local terms energy: -324.840784
where:
bonds (distance) C4'-P energy: -83.947
bonds (distance) P-C4' energy: -89.457
flat angles C4'-P-C4' energy: -75.463
flat angles P-C4'-P energy: -46.145
tors. eta vs tors. theta energy: -29.829
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: 67
Temperature: 1.200000
Total energy: -466.986049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.986049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.986049 (E_RNA)
where:
Base-Base interactions energy: -159.581
where: short stacking energy: -136.628
Base-Backbone interact. energy: -0.830
local terms energy: -306.575070
where:
bonds (distance) C4'-P energy: -82.108
bonds (distance) P-C4' energy: -93.628
flat angles C4'-P-C4' energy: -75.991
flat angles P-C4'-P energy: -45.182
tors. eta vs tors. theta energy: -9.666
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: 67
Temperature: 1.250000
Total energy: -392.952356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.952356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.952356 (E_RNA)
where:
Base-Base interactions energy: -148.166
where: short stacking energy: -133.954
Base-Backbone interact. energy: 9.557
local terms energy: -254.342769
where:
bonds (distance) C4'-P energy: -63.676
bonds (distance) P-C4' energy: -84.969
flat angles C4'-P-C4' energy: -61.954
flat angles P-C4'-P energy: -40.243
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: 9, replica: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -385.316768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.316768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.316768 (E_RNA)
where:
Base-Base interactions energy: -129.761
where: short stacking energy: -125.164
Base-Backbone interact. energy: 4.814
local terms energy: -260.369709
where:
bonds (distance) C4'-P energy: -72.341
bonds (distance) P-C4' energy: -96.677
flat angles C4'-P-C4' energy: -61.176
flat angles P-C4'-P energy: -35.929
tors. eta vs tors. theta energy: 5.753
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: 10, replica: 5
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -340.115336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.115336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.115336 (E_RNA)
where:
Base-Base interactions energy: -100.777
where: short stacking energy: -92.506
Base-Backbone interact. energy: 1.561
local terms energy: -240.899166
where:
bonds (distance) C4'-P energy: -75.089
bonds (distance) P-C4' energy: -77.882
flat angles C4'-P-C4' energy: -63.622
flat angles P-C4'-P energy: -42.679
tors. eta vs tors. theta energy: 18.374
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: 6
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1183.475955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.475955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.475955 (E_RNA)
where:
Base-Base interactions energy: -724.442
where: short stacking energy: -426.806
Base-Backbone interact. energy: -1.319
local terms energy: -457.715117
where:
bonds (distance) C4'-P energy: -94.114
bonds (distance) P-C4' energy: -91.504
flat angles C4'-P-C4' energy: -102.669
flat angles P-C4'-P energy: -60.846
tors. eta vs tors. theta energy: -108.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1070.894807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.894807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.894807 (E_RNA)
where:
Base-Base interactions energy: -609.637
where: short stacking energy: -365.869
Base-Backbone interact. energy: -0.899
local terms energy: -460.358367
where:
bonds (distance) C4'-P energy: -95.138
bonds (distance) P-C4' energy: -80.805
flat angles C4'-P-C4' energy: -105.913
flat angles P-C4'-P energy: -75.663
tors. eta vs tors. theta energy: -102.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -920.453384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.453384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.453384 (E_RNA)
where:
Base-Base interactions energy: -506.487
where: short stacking energy: -310.624
Base-Backbone interact. energy: 0.003
local terms energy: -413.968693
where:
bonds (distance) C4'-P energy: -75.098
bonds (distance) P-C4' energy: -98.700
flat angles C4'-P-C4' energy: -88.312
flat angles P-C4'-P energy: -65.503
tors. eta vs tors. theta energy: -86.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -839.517041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.517041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.517041 (E_RNA)
where:
Base-Base interactions energy: -458.016
where: short stacking energy: -271.763
Base-Backbone interact. energy: -1.653
local terms energy: -379.848347
where:
bonds (distance) C4'-P energy: -90.470
bonds (distance) P-C4' energy: -87.093
flat angles C4'-P-C4' energy: -84.670
flat angles P-C4'-P energy: -53.929
tors. eta vs tors. theta energy: -63.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -741.412025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.412025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.412025 (E_RNA)
where:
Base-Base interactions energy: -388.198
where: short stacking energy: -243.442
Base-Backbone interact. energy: -1.739
local terms energy: -351.474904
where:
bonds (distance) C4'-P energy: -79.441
bonds (distance) P-C4' energy: -88.002
flat angles C4'-P-C4' energy: -84.563
flat angles P-C4'-P energy: -46.071
tors. eta vs tors. theta energy: -53.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -586.064450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.064450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.064450 (E_RNA)
where:
Base-Base interactions energy: -268.546
where: short stacking energy: -188.140
Base-Backbone interact. energy: -0.384
local terms energy: -317.134043
where:
bonds (distance) C4'-P energy: -94.166
bonds (distance) P-C4' energy: -86.400
flat angles C4'-P-C4' energy: -71.971
flat angles P-C4'-P energy: -38.925
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: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -439.440532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.440532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.440532 (E_RNA)
where:
Base-Base interactions energy: -147.959
where: short stacking energy: -128.369
Base-Backbone interact. energy: -0.496
local terms energy: -290.985468
where:
bonds (distance) C4'-P energy: -89.516
bonds (distance) P-C4' energy: -90.239
flat angles C4'-P-C4' energy: -77.154
flat angles P-C4'-P energy: -37.685
tors. eta vs tors. theta energy: 3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -419.386214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.386214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.386214 (E_RNA)
where:
Base-Base interactions energy: -132.454
where: short stacking energy: -119.437
Base-Backbone interact. energy: 2.727
local terms energy: -289.659586
where:
bonds (distance) C4'-P energy: -93.963
bonds (distance) P-C4' energy: -75.124
flat angles C4'-P-C4' energy: -69.686
flat angles P-C4'-P energy: -47.642
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -384.190398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.190398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.190398 (E_RNA)
where:
Base-Base interactions energy: -136.121
where: short stacking energy: -118.831
Base-Backbone interact. energy: -0.213
local terms energy: -247.856344
where:
bonds (distance) C4'-P energy: -71.181
bonds (distance) P-C4' energy: -78.091
flat angles C4'-P-C4' energy: -60.294
flat angles P-C4'-P energy: -45.621
tors. eta vs tors. theta energy: 7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -359.487671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.487671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.487671 (E_RNA)
where:
Base-Base interactions energy: -124.466
where: short stacking energy: -111.602
Base-Backbone interact. energy: -0.155
local terms energy: -234.867271
where:
bonds (distance) C4'-P energy: -57.408
bonds (distance) P-C4' energy: -90.116
flat angles C4'-P-C4' energy: -66.714
flat angles P-C4'-P energy: -40.324
tors. eta vs tors. theta energy: 19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1174.627442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.627442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.627442 (E_RNA)
where:
Base-Base interactions energy: -702.782
where: short stacking energy: -408.195
Base-Backbone interact. energy: -0.698
local terms energy: -471.147225
where:
bonds (distance) C4'-P energy: -95.650
bonds (distance) P-C4' energy: -83.186
flat angles C4'-P-C4' energy: -108.372
flat angles P-C4'-P energy: -62.128
tors. eta vs tors. theta energy: -121.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1057.671741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.671741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.671741 (E_RNA)
where:
Base-Base interactions energy: -628.168
where: short stacking energy: -377.503
Base-Backbone interact. energy: 1.059
local terms energy: -430.562527
where:
bonds (distance) C4'-P energy: -91.719
bonds (distance) P-C4' energy: -82.569
flat angles C4'-P-C4' energy: -96.712
flat angles P-C4'-P energy: -61.717
tors. eta vs tors. theta energy: -97.846
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: 69
Temperature: 1.000000
Total energy: -976.984871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.984871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.984871 (E_RNA)
where:
Base-Base interactions energy: -559.001
where: short stacking energy: -334.480
Base-Backbone interact. energy: -2.084
local terms energy: -415.899970
where:
bonds (distance) C4'-P energy: -89.033
bonds (distance) P-C4' energy: -94.226
flat angles C4'-P-C4' energy: -96.753
flat angles P-C4'-P energy: -50.658
tors. eta vs tors. theta energy: -85.230
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: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -860.580238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.580238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.580238 (E_RNA)
where:
Base-Base interactions energy: -482.075
where: short stacking energy: -284.922
Base-Backbone interact. energy: -1.672
local terms energy: -376.832274
where:
bonds (distance) C4'-P energy: -90.395
bonds (distance) P-C4' energy: -85.983
flat angles C4'-P-C4' energy: -81.196
flat angles P-C4'-P energy: -55.305
tors. eta vs tors. theta energy: -63.954
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: 5, replica: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -715.248725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.248725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.248725 (E_RNA)
where:
Base-Base interactions energy: -364.813
where: short stacking energy: -226.367
Base-Backbone interact. energy: 1.418
local terms energy: -351.853013
where:
bonds (distance) C4'-P energy: -74.240
bonds (distance) P-C4' energy: -95.638
flat angles C4'-P-C4' energy: -84.858
flat angles P-C4'-P energy: -53.916
tors. eta vs tors. theta energy: -43.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -564.464575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.464575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.464575 (E_RNA)
where:
Base-Base interactions energy: -217.941
where: short stacking energy: -162.884
Base-Backbone interact. energy: -0.316
local terms energy: -346.208073
where:
bonds (distance) C4'-P energy: -79.334
bonds (distance) P-C4' energy: -88.213
flat angles C4'-P-C4' energy: -81.605
flat angles P-C4'-P energy: -58.785
tors. eta vs tors. theta energy: -38.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -489.091969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.091969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.091969 (E_RNA)
where:
Base-Base interactions energy: -212.511
where: short stacking energy: -157.712
Base-Backbone interact. energy: -0.134
local terms energy: -276.447290
where:
bonds (distance) C4'-P energy: -65.623
bonds (distance) P-C4' energy: -86.825
flat angles C4'-P-C4' energy: -66.804
flat angles P-C4'-P energy: -48.849
tors. eta vs tors. theta energy: -8.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -407.120284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.120284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.120284 (E_RNA)
where:
Base-Base interactions energy: -151.669
where: short stacking energy: -140.909
Base-Backbone interact. energy: -1.675
local terms energy: -253.775794
where:
bonds (distance) C4'-P energy: -80.070
bonds (distance) P-C4' energy: -69.298
flat angles C4'-P-C4' energy: -71.943
flat angles P-C4'-P energy: -32.689
tors. eta vs tors. theta energy: 0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -383.009420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.009420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.009420 (E_RNA)
where:
Base-Base interactions energy: -152.537
where: short stacking energy: -123.582
Base-Backbone interact. energy: -1.867
local terms energy: -228.605161
where:
bonds (distance) C4'-P energy: -62.505
bonds (distance) P-C4' energy: -90.045
flat angles C4'-P-C4' energy: -72.812
flat angles P-C4'-P energy: -20.426
tors. eta vs tors. theta energy: 17.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -342.082967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.082967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.082967 (E_RNA)
where:
Base-Base interactions energy: -95.975
where: short stacking energy: -92.191
Base-Backbone interact. energy: -1.743
local terms energy: -244.365110
where:
bonds (distance) C4'-P energy: -77.481
bonds (distance) P-C4' energy: -65.388
flat angles C4'-P-C4' energy: -67.725
flat angles P-C4'-P energy: -43.529
tors. eta vs tors. theta energy: 9.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1153.864031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.864031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.864031 (E_RNA)
where:
Base-Base interactions energy: -682.065
where: short stacking energy: -384.919
Base-Backbone interact. energy: -0.246
local terms energy: -471.553306
where:
bonds (distance) C4'-P energy: -92.541
bonds (distance) P-C4' energy: -99.697
flat angles C4'-P-C4' energy: -104.045
flat angles P-C4'-P energy: -63.690
tors. eta vs tors. theta energy: -111.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1033.098114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.098114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.098114 (E_RNA)
where:
Base-Base interactions energy: -594.039
where: short stacking energy: -348.993
Base-Backbone interact. energy: -1.061
local terms energy: -437.998139
where:
bonds (distance) C4'-P energy: -89.353
bonds (distance) P-C4' energy: -92.895
flat angles C4'-P-C4' energy: -93.290
flat angles P-C4'-P energy: -67.252
tors. eta vs tors. theta energy: -95.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -953.901379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.901379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.901379 (E_RNA)
where:
Base-Base interactions energy: -507.507
where: short stacking energy: -324.682
Base-Backbone interact. energy: -4.365
local terms energy: -442.028964
where:
bonds (distance) C4'-P energy: -88.642
bonds (distance) P-C4' energy: -92.551
flat angles C4'-P-C4' energy: -105.653
flat angles P-C4'-P energy: -65.498
tors. eta vs tors. theta energy: -89.685
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: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -840.369740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.369740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.369740 (E_RNA)
where:
Base-Base interactions energy: -466.949
where: short stacking energy: -277.236
Base-Backbone interact. energy: -3.549
local terms energy: -369.871693
where:
bonds (distance) C4'-P energy: -83.301
bonds (distance) P-C4' energy: -81.150
flat angles C4'-P-C4' energy: -87.587
flat angles P-C4'-P energy: -55.127
tors. eta vs tors. theta energy: -62.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -682.777193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.777193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.777193 (E_RNA)
where:
Base-Base interactions energy: -347.674
where: short stacking energy: -191.729
Base-Backbone interact. energy: -0.524
local terms energy: -334.579099
where:
bonds (distance) C4'-P energy: -72.434
bonds (distance) P-C4' energy: -94.136
flat angles C4'-P-C4' energy: -82.128
flat angles P-C4'-P energy: -50.754
tors. eta vs tors. theta energy: -35.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -571.683434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.683434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.683434 (E_RNA)
where:
Base-Base interactions energy: -246.529
where: short stacking energy: -171.238
Base-Backbone interact. energy: 2.949
local terms energy: -328.103080
where:
bonds (distance) C4'-P energy: -91.080
bonds (distance) P-C4' energy: -94.608
flat angles C4'-P-C4' energy: -76.274
flat angles P-C4'-P energy: -52.669
tors. eta vs tors. theta energy: -13.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -500.286346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.286346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.286346 (E_RNA)
where:
Base-Base interactions energy: -218.433
where: short stacking energy: -169.426
Base-Backbone interact. energy: 2.195
local terms energy: -284.048440
where:
bonds (distance) C4'-P energy: -79.035
bonds (distance) P-C4' energy: -79.985
flat angles C4'-P-C4' energy: -70.532
flat angles P-C4'-P energy: -33.010
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: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -419.424088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.424088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.424088 (E_RNA)
where:
Base-Base interactions energy: -140.116
where: short stacking energy: -126.719
Base-Backbone interact. energy: -0.481
local terms energy: -278.826269
where:
bonds (distance) C4'-P energy: -75.368
bonds (distance) P-C4' energy: -81.955
flat angles C4'-P-C4' energy: -78.551
flat angles P-C4'-P energy: -40.409
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -379.727061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.727061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.727061 (E_RNA)
where:
Base-Base interactions energy: -119.203
where: short stacking energy: -100.835
Base-Backbone interact. energy: 4.214
local terms energy: -264.738084
where:
bonds (distance) C4'-P energy: -73.630
bonds (distance) P-C4' energy: -80.155
flat angles C4'-P-C4' energy: -65.005
flat angles P-C4'-P energy: -51.404
tors. eta vs tors. theta energy: 5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -352.739462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.739462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.739462 (E_RNA)
where:
Base-Base interactions energy: -104.907
where: short stacking energy: -92.979
Base-Backbone interact. energy: -1.789
local terms energy: -246.044115
where:
bonds (distance) C4'-P energy: -71.131
bonds (distance) P-C4' energy: -80.387
flat angles C4'-P-C4' energy: -68.611
flat angles P-C4'-P energy: -35.422
tors. eta vs tors. theta energy: 9.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1117.383001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.383001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.383001 (E_RNA)
where:
Base-Base interactions energy: -667.571
where: short stacking energy: -353.132
Base-Backbone interact. energy: 1.880
local terms energy: -451.692240
where:
bonds (distance) C4'-P energy: -88.000
bonds (distance) P-C4' energy: -95.748
flat angles C4'-P-C4' energy: -99.714
flat angles P-C4'-P energy: -66.036
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: 2, replica: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1055.794094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.794094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.794094 (E_RNA)
where:
Base-Base interactions energy: -609.782
where: short stacking energy: -374.041
Base-Backbone interact. energy: 1.613
local terms energy: -447.624940
where:
bonds (distance) C4'-P energy: -99.268
bonds (distance) P-C4' energy: -91.847
flat angles C4'-P-C4' energy: -92.741
flat angles P-C4'-P energy: -60.171
tors. eta vs tors. theta energy: -103.598
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: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -913.541359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.541359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.541359 (E_RNA)
where:
Base-Base interactions energy: -499.499
where: short stacking energy: -306.146
Base-Backbone interact. energy: -2.011
local terms energy: -412.031701
where:
bonds (distance) C4'-P energy: -79.695
bonds (distance) P-C4' energy: -100.342
flat angles C4'-P-C4' energy: -95.041
flat angles P-C4'-P energy: -59.689
tors. eta vs tors. theta energy: -77.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -807.393650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.393650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.393650 (E_RNA)
where:
Base-Base interactions energy: -406.892
where: short stacking energy: -259.944
Base-Backbone interact. energy: -0.366
local terms energy: -400.136001
where:
bonds (distance) C4'-P energy: -84.215
bonds (distance) P-C4' energy: -97.536
flat angles C4'-P-C4' energy: -107.464
flat angles P-C4'-P energy: -51.392
tors. eta vs tors. theta energy: -59.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -726.148053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.148053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.148053 (E_RNA)
where:
Base-Base interactions energy: -391.645
where: short stacking energy: -220.591
Base-Backbone interact. energy: -1.248
local terms energy: -333.255184
where:
bonds (distance) C4'-P energy: -75.591
bonds (distance) P-C4' energy: -87.926
flat angles C4'-P-C4' energy: -92.393
flat angles P-C4'-P energy: -41.820
tors. eta vs tors. theta energy: -35.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -562.679237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.679237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.679237 (E_RNA)
where:
Base-Base interactions energy: -257.599
where: short stacking energy: -210.748
Base-Backbone interact. energy: -1.896
local terms energy: -303.184335
where:
bonds (distance) C4'-P energy: -78.328
bonds (distance) P-C4' energy: -84.202
flat angles C4'-P-C4' energy: -68.945
flat angles P-C4'-P energy: -41.794
tors. eta vs tors. theta energy: -29.916
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: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -524.192881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.192881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.192881 (E_RNA)
where:
Base-Base interactions energy: -220.455
where: short stacking energy: -154.827
Base-Backbone interact. energy: 1.394
local terms energy: -305.132399
where:
bonds (distance) C4'-P energy: -83.960
bonds (distance) P-C4' energy: -81.861
flat angles C4'-P-C4' energy: -72.095
flat angles P-C4'-P energy: -52.376
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -428.169644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.169644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.169644 (E_RNA)
where:
Base-Base interactions energy: -157.285
where: short stacking energy: -122.767
Base-Backbone interact. energy: -2.606
local terms energy: -268.278545
where:
bonds (distance) C4'-P energy: -77.851
bonds (distance) P-C4' energy: -75.236
flat angles C4'-P-C4' energy: -84.411
flat angles P-C4'-P energy: -38.208
tors. eta vs tors. theta energy: 7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -377.101822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.101822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.101822 (E_RNA)
where:
Base-Base interactions energy: -121.372
where: short stacking energy: -111.878
Base-Backbone interact. energy: -0.963
local terms energy: -254.766946
where:
bonds (distance) C4'-P energy: -79.372
bonds (distance) P-C4' energy: -84.981
flat angles C4'-P-C4' energy: -71.654
flat angles P-C4'-P energy: -36.093
tors. eta vs tors. theta energy: 17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -356.303633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.303633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.303633 (E_RNA)
where:
Base-Base interactions energy: -126.831
where: short stacking energy: -110.372
Base-Backbone interact. energy: 1.800
local terms energy: -231.272376
where:
bonds (distance) C4'-P energy: -60.551
bonds (distance) P-C4' energy: -86.244
flat angles C4'-P-C4' energy: -56.806
flat angles P-C4'-P energy: -46.655
tors. eta vs tors. theta energy: 18.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1142.540382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.540382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.540382 (E_RNA)
where:
Base-Base interactions energy: -672.460
where: short stacking energy: -383.695
Base-Backbone interact. energy: 1.040
local terms energy: -471.120282
where:
bonds (distance) C4'-P energy: -97.775
bonds (distance) P-C4' energy: -92.566
flat angles C4'-P-C4' energy: -99.169
flat angles P-C4'-P energy: -64.472
tors. eta vs tors. theta energy: -117.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1057.799608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.799608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.799608 (E_RNA)
where:
Base-Base interactions energy: -628.074
where: short stacking energy: -353.311
Base-Backbone interact. energy: 0.865
local terms energy: -430.590749
where:
bonds (distance) C4'-P energy: -94.308
bonds (distance) P-C4' energy: -91.174
flat angles C4'-P-C4' energy: -87.294
flat angles P-C4'-P energy: -62.646
tors. eta vs tors. theta energy: -95.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -934.902876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.902876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.902876 (E_RNA)
where:
Base-Base interactions energy: -525.223
where: short stacking energy: -312.556
Base-Backbone interact. energy: -3.995
local terms energy: -405.685014
where:
bonds (distance) C4'-P energy: -94.037
bonds (distance) P-C4' energy: -84.123
flat angles C4'-P-C4' energy: -95.240
flat angles P-C4'-P energy: -55.613
tors. eta vs tors. theta energy: -76.672
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: 4, replica: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -791.330462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.330462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.330462 (E_RNA)
where:
Base-Base interactions energy: -423.868
where: short stacking energy: -267.944
Base-Backbone interact. energy: -0.494
local terms energy: -366.968293
where:
bonds (distance) C4'-P energy: -77.608
bonds (distance) P-C4' energy: -83.504
flat angles C4'-P-C4' energy: -88.246
flat angles P-C4'-P energy: -54.603
tors. eta vs tors. theta energy: -63.007
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: 72
Temperature: 1.100000
Total energy: -730.643060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.643060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.643060 (E_RNA)
where:
Base-Base interactions energy: -365.056
where: short stacking energy: -229.745
Base-Backbone interact. energy: 3.843
local terms energy: -369.429998
where:
bonds (distance) C4'-P energy: -84.749
bonds (distance) P-C4' energy: -82.746
flat angles C4'-P-C4' energy: -90.215
flat angles P-C4'-P energy: -58.635
tors. eta vs tors. theta energy: -53.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -552.612630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.612630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.612630 (E_RNA)
where:
Base-Base interactions energy: -249.183
where: short stacking energy: -179.557
Base-Backbone interact. energy: 1.415
local terms energy: -304.845410
where:
bonds (distance) C4'-P energy: -84.017
bonds (distance) P-C4' energy: -68.594
flat angles C4'-P-C4' energy: -102.688
flat angles P-C4'-P energy: -32.752
tors. eta vs tors. theta energy: -16.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -492.423271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.423271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.423271 (E_RNA)
where:
Base-Base interactions energy: -212.708
where: short stacking energy: -163.027
Base-Backbone interact. energy: -0.955
local terms energy: -278.760759
where:
bonds (distance) C4'-P energy: -76.953
bonds (distance) P-C4' energy: -76.399
flat angles C4'-P-C4' energy: -82.950
flat angles P-C4'-P energy: -30.439
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: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -418.243098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.243098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.243098 (E_RNA)
where:
Base-Base interactions energy: -150.791
where: short stacking energy: -105.097
Base-Backbone interact. energy: 0.925
local terms energy: -268.377676
where:
bonds (distance) C4'-P energy: -84.618
bonds (distance) P-C4' energy: -67.925
flat angles C4'-P-C4' energy: -85.397
flat angles P-C4'-P energy: -50.315
tors. eta vs tors. theta energy: 19.877
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: 1
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -430.381530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.381530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.381530 (E_RNA)
where:
Base-Base interactions energy: -149.787
where: short stacking energy: -135.344
Base-Backbone interact. energy: -0.195
local terms energy: -280.399034
where:
bonds (distance) C4'-P energy: -70.658
bonds (distance) P-C4' energy: -89.245
flat angles C4'-P-C4' energy: -78.706
flat angles P-C4'-P energy: -44.144
tors. eta vs tors. theta energy: 2.354
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: 5
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -344.255030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.255030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.255030 (E_RNA)
where:
Base-Base interactions energy: -101.477
where: short stacking energy: -79.596
Base-Backbone interact. energy: -1.408
local terms energy: -241.369827
where:
bonds (distance) C4'-P energy: -67.428
bonds (distance) P-C4' energy: -79.580
flat angles C4'-P-C4' energy: -60.571
flat angles P-C4'-P energy: -39.354
tors. eta vs tors. theta energy: 5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1160.700328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.700328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.700328 (E_RNA)
where:
Base-Base interactions energy: -667.414
where: short stacking energy: -400.034
Base-Backbone interact. energy: -0.648
local terms energy: -492.637890
where:
bonds (distance) C4'-P energy: -103.079
bonds (distance) P-C4' energy: -95.961
flat angles C4'-P-C4' energy: -105.387
flat angles P-C4'-P energy: -70.955
tors. eta vs tors. theta energy: -117.257
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: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1094.420362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.420362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.420362 (E_RNA)
where:
Base-Base interactions energy: -628.458
where: short stacking energy: -388.128
Base-Backbone interact. energy: -1.413
local terms energy: -464.548624
where:
bonds (distance) C4'-P energy: -96.043
bonds (distance) P-C4' energy: -96.834
flat angles C4'-P-C4' energy: -90.964
flat angles P-C4'-P energy: -62.664
tors. eta vs tors. theta energy: -118.045
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: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -952.617994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.617994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.617994 (E_RNA)
where:
Base-Base interactions energy: -552.192
where: short stacking energy: -336.242
Base-Backbone interact. energy: -1.517
local terms energy: -398.908463
where:
bonds (distance) C4'-P energy: -87.671
bonds (distance) P-C4' energy: -89.735
flat angles C4'-P-C4' energy: -80.839
flat angles P-C4'-P energy: -64.784
tors. eta vs tors. theta energy: -75.879
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: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -796.207026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.207026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.207026 (E_RNA)
where:
Base-Base interactions energy: -422.787
where: short stacking energy: -241.916
Base-Backbone interact. energy: 0.058
local terms energy: -373.478082
where:
bonds (distance) C4'-P energy: -80.119
bonds (distance) P-C4' energy: -87.405
flat angles C4'-P-C4' energy: -92.092
flat angles P-C4'-P energy: -55.591
tors. eta vs tors. theta energy: -58.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -734.730805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.730805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.730805 (E_RNA)
where:
Base-Base interactions energy: -384.845
where: short stacking energy: -266.576
Base-Backbone interact. energy: -1.315
local terms energy: -348.571075
where:
bonds (distance) C4'-P energy: -77.335
bonds (distance) P-C4' energy: -77.955
flat angles C4'-P-C4' energy: -92.525
flat angles P-C4'-P energy: -48.229
tors. eta vs tors. theta energy: -52.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -553.626168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.626168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.626168 (E_RNA)
where:
Base-Base interactions energy: -233.550
where: short stacking energy: -181.525
Base-Backbone interact. energy: -0.807
local terms energy: -319.269040
where:
bonds (distance) C4'-P energy: -79.410
bonds (distance) P-C4' energy: -76.324
flat angles C4'-P-C4' energy: -80.331
flat angles P-C4'-P energy: -54.260
tors. eta vs tors. theta energy: -28.943
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: 9
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -537.837477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.837477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.837477 (E_RNA)
where:
Base-Base interactions energy: -230.594
where: short stacking energy: -170.423
Base-Backbone interact. energy: -0.492
local terms energy: -306.751535
where:
bonds (distance) C4'-P energy: -75.447
bonds (distance) P-C4' energy: -86.524
flat angles C4'-P-C4' energy: -65.814
flat angles P-C4'-P energy: -50.571
tors. eta vs tors. theta energy: -28.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -431.695043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.695043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.695043 (E_RNA)
where:
Base-Base interactions energy: -162.871
where: short stacking energy: -152.552
Base-Backbone interact. energy: 0.422
local terms energy: -269.245922
where:
bonds (distance) C4'-P energy: -74.738
bonds (distance) P-C4' energy: -84.431
flat angles C4'-P-C4' energy: -56.520
flat angles P-C4'-P energy: -45.521
tors. eta vs tors. theta energy: -8.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -379.738712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.738712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.738712 (E_RNA)
where:
Base-Base interactions energy: -127.114
where: short stacking energy: -111.375
Base-Backbone interact. energy: 1.007
local terms energy: -253.631684
where:
bonds (distance) C4'-P energy: -82.209
bonds (distance) P-C4' energy: -84.393
flat angles C4'-P-C4' energy: -63.860
flat angles P-C4'-P energy: -39.589
tors. eta vs tors. theta energy: 16.419
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: 5
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -373.353272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.353272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.353272 (E_RNA)
where:
Base-Base interactions energy: -115.148
where: short stacking energy: -95.517
Base-Backbone interact. energy: -0.189
local terms energy: -258.015760
where:
bonds (distance) C4'-P energy: -77.517
bonds (distance) P-C4' energy: -73.682
flat angles C4'-P-C4' energy: -80.799
flat angles P-C4'-P energy: -29.237
tors. eta vs tors. theta energy: 3.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1190.818809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.818809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.818809 (E_RNA)
where:
Base-Base interactions energy: -709.623
where: short stacking energy: -428.959
Base-Backbone interact. energy: -2.192
local terms energy: -479.003372
where:
bonds (distance) C4'-P energy: -85.835
bonds (distance) P-C4' energy: -103.221
flat angles C4'-P-C4' energy: -101.032
flat angles P-C4'-P energy: -66.404
tors. eta vs tors. theta energy: -122.511
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: 74
Temperature: 0.950000
Total energy: -1065.745490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.745490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.745490 (E_RNA)
where:
Base-Base interactions energy: -609.433
where: short stacking energy: -347.236
Base-Backbone interact. energy: -2.489
local terms energy: -453.823219
where:
bonds (distance) C4'-P energy: -92.297
bonds (distance) P-C4' energy: -91.138
flat angles C4'-P-C4' energy: -102.281
flat angles P-C4'-P energy: -61.779
tors. eta vs tors. theta energy: -106.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -971.477373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.477373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.477373 (E_RNA)
where:
Base-Base interactions energy: -542.881
where: short stacking energy: -310.827
Base-Backbone interact. energy: -2.089
local terms energy: -426.507720
where:
bonds (distance) C4'-P energy: -98.270
bonds (distance) P-C4' energy: -92.416
flat angles C4'-P-C4' energy: -99.788
flat angles P-C4'-P energy: -63.632
tors. eta vs tors. theta energy: -72.401
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: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -786.725446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.725446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.725446 (E_RNA)
where:
Base-Base interactions energy: -429.352
where: short stacking energy: -276.787
Base-Backbone interact. energy: -0.560
local terms energy: -356.813840
where:
bonds (distance) C4'-P energy: -74.028
bonds (distance) P-C4' energy: -92.213
flat angles C4'-P-C4' energy: -84.009
flat angles P-C4'-P energy: -50.305
tors. eta vs tors. theta energy: -56.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -760.745662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.745662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.745662 (E_RNA)
where:
Base-Base interactions energy: -410.457
where: short stacking energy: -241.578
Base-Backbone interact. energy: 0.197
local terms energy: -350.485796
where:
bonds (distance) C4'-P energy: -93.707
bonds (distance) P-C4' energy: -84.808
flat angles C4'-P-C4' energy: -69.672
flat angles P-C4'-P energy: -54.108
tors. eta vs tors. theta energy: -48.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -576.196231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.196231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.196231 (E_RNA)
where:
Base-Base interactions energy: -269.195
where: short stacking energy: -174.097
Base-Backbone interact. energy: -2.511
local terms energy: -304.490803
where:
bonds (distance) C4'-P energy: -78.511
bonds (distance) P-C4' energy: -84.332
flat angles C4'-P-C4' energy: -83.313
flat angles P-C4'-P energy: -50.492
tors. eta vs tors. theta energy: -7.843
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: 7, replica: 9
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -515.997586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.997586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.997586 (E_RNA)
where:
Base-Base interactions energy: -214.178
where: short stacking energy: -157.581
Base-Backbone interact. energy: -1.125
local terms energy: -300.694073
where:
bonds (distance) C4'-P energy: -83.969
bonds (distance) P-C4' energy: -79.266
flat angles C4'-P-C4' energy: -72.570
flat angles P-C4'-P energy: -48.147
tors. eta vs tors. theta energy: -16.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -406.212676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.212676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.212676 (E_RNA)
where:
Base-Base interactions energy: -132.794
where: short stacking energy: -127.903
Base-Backbone interact. energy: -1.826
local terms energy: -271.592520
where:
bonds (distance) C4'-P energy: -79.874
bonds (distance) P-C4' energy: -70.535
flat angles C4'-P-C4' energy: -73.155
flat angles P-C4'-P energy: -46.847
tors. eta vs tors. theta energy: -1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -374.177730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.177730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.177730 (E_RNA)
where:
Base-Base interactions energy: -110.777
where: short stacking energy: -96.620
Base-Backbone interact. energy: 1.883
local terms energy: -265.282961
where:
bonds (distance) C4'-P energy: -82.006
bonds (distance) P-C4' energy: -80.041
flat angles C4'-P-C4' energy: -62.844
flat angles P-C4'-P energy: -49.751
tors. eta vs tors. theta energy: 9.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -360.678515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.678515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.678515 (E_RNA)
where:
Base-Base interactions energy: -108.020
where: short stacking energy: -99.946
Base-Backbone interact. energy: 3.708
local terms energy: -256.366490
where:
bonds (distance) C4'-P energy: -78.667
bonds (distance) P-C4' energy: -69.154
flat angles C4'-P-C4' energy: -79.375
flat angles P-C4'-P energy: -32.043
tors. eta vs tors. theta energy: 2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1200.990368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.990368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.990368 (E_RNA)
where:
Base-Base interactions energy: -699.536
where: short stacking energy: -412.691
Base-Backbone interact. energy: -1.910
local terms energy: -499.544615
where:
bonds (distance) C4'-P energy: -99.377
bonds (distance) P-C4' energy: -98.791
flat angles C4'-P-C4' energy: -114.306
flat angles P-C4'-P energy: -65.885
tors. eta vs tors. theta energy: -121.186
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: 75
Temperature: 0.950000
Total energy: -1073.930769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.930769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.930769 (E_RNA)
where:
Base-Base interactions energy: -636.278
where: short stacking energy: -389.929
Base-Backbone interact. energy: 0.321
local terms energy: -437.974206
where:
bonds (distance) C4'-P energy: -88.808
bonds (distance) P-C4' energy: -75.973
flat angles C4'-P-C4' energy: -101.037
flat angles P-C4'-P energy: -57.332
tors. eta vs tors. theta energy: -114.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1018.897119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.897119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.897119 (E_RNA)
where:
Base-Base interactions energy: -597.667
where: short stacking energy: -354.422
Base-Backbone interact. energy: 2.581
local terms energy: -423.811584
where:
bonds (distance) C4'-P energy: -84.008
bonds (distance) P-C4' energy: -89.826
flat angles C4'-P-C4' energy: -87.989
flat angles P-C4'-P energy: -53.469
tors. eta vs tors. theta energy: -108.519
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: 4, replica: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -791.736126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.736126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.736126 (E_RNA)
where:
Base-Base interactions energy: -398.393
where: short stacking energy: -254.842
Base-Backbone interact. energy: 0.602
local terms energy: -393.945248
where:
bonds (distance) C4'-P energy: -90.878
bonds (distance) P-C4' energy: -86.872
flat angles C4'-P-C4' energy: -82.757
flat angles P-C4'-P energy: -64.906
tors. eta vs tors. theta energy: -68.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -737.892945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.892945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.892945 (E_RNA)
where:
Base-Base interactions energy: -407.025
where: short stacking energy: -241.202
Base-Backbone interact. energy: -1.566
local terms energy: -329.302469
where:
bonds (distance) C4'-P energy: -81.418
bonds (distance) P-C4' energy: -73.198
flat angles C4'-P-C4' energy: -81.488
flat angles P-C4'-P energy: -61.733
tors. eta vs tors. theta energy: -31.466
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: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -602.037378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.037378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.037378 (E_RNA)
where:
Base-Base interactions energy: -307.970
where: short stacking energy: -194.549
Base-Backbone interact. energy: -0.434
local terms energy: -293.633369
where:
bonds (distance) C4'-P energy: -75.585
bonds (distance) P-C4' energy: -66.615
flat angles C4'-P-C4' energy: -79.875
flat angles P-C4'-P energy: -38.100
tors. eta vs tors. theta energy: -33.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -543.392456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.392456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.392456 (E_RNA)
where:
Base-Base interactions energy: -245.679
where: short stacking energy: -186.977
Base-Backbone interact. energy: -0.324
local terms energy: -297.389937
where:
bonds (distance) C4'-P energy: -79.530
bonds (distance) P-C4' energy: -82.504
flat angles C4'-P-C4' energy: -73.768
flat angles P-C4'-P energy: -36.724
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: 8, replica: 5
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -429.894889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.894889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.894889 (E_RNA)
where:
Base-Base interactions energy: -173.120
where: short stacking energy: -140.322
Base-Backbone interact. energy: 4.367
local terms energy: -261.142384
where:
bonds (distance) C4'-P energy: -59.542
bonds (distance) P-C4' energy: -89.673
flat angles C4'-P-C4' energy: -68.481
flat angles P-C4'-P energy: -44.378
tors. eta vs tors. theta energy: 0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -391.980015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.980015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.980015 (E_RNA)
where:
Base-Base interactions energy: -132.653
where: short stacking energy: -111.985
Base-Backbone interact. energy: 2.370
local terms energy: -261.697659
where:
bonds (distance) C4'-P energy: -74.251
bonds (distance) P-C4' energy: -93.480
flat angles C4'-P-C4' energy: -56.418
flat angles P-C4'-P energy: -45.635
tors. eta vs tors. theta energy: 8.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -363.770049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.770049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.770049 (E_RNA)
where:
Base-Base interactions energy: -111.246
where: short stacking energy: -100.526
Base-Backbone interact. energy: 0.638
local terms energy: -253.162126
where:
bonds (distance) C4'-P energy: -89.761
bonds (distance) P-C4' energy: -68.496
flat angles C4'-P-C4' energy: -70.889
flat angles P-C4'-P energy: -37.690
tors. eta vs tors. theta energy: 13.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1242.756301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.756301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.756301 (E_RNA)
where:
Base-Base interactions energy: -748.882
where: short stacking energy: -437.438
Base-Backbone interact. energy: -1.257
local terms energy: -492.616806
where:
bonds (distance) C4'-P energy: -95.577
bonds (distance) P-C4' energy: -102.838
flat angles C4'-P-C4' energy: -101.063
flat angles P-C4'-P energy: -78.250
tors. eta vs tors. theta energy: -114.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1090.006166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.006166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.006166 (E_RNA)
where:
Base-Base interactions energy: -635.330
where: short stacking energy: -388.923
Base-Backbone interact. energy: -2.401
local terms energy: -452.276021
where:
bonds (distance) C4'-P energy: -88.334
bonds (distance) P-C4' energy: -98.779
flat angles C4'-P-C4' energy: -95.202
flat angles P-C4'-P energy: -59.795
tors. eta vs tors. theta energy: -110.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1008.657481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.657481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.657481 (E_RNA)
where:
Base-Base interactions energy: -586.007
where: short stacking energy: -348.356
Base-Backbone interact. energy: -0.184
local terms energy: -422.466465
where:
bonds (distance) C4'-P energy: -88.501
bonds (distance) P-C4' energy: -88.377
flat angles C4'-P-C4' energy: -81.929
flat angles P-C4'-P energy: -62.880
tors. eta vs tors. theta energy: -100.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -787.370184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.370184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.370184 (E_RNA)
where:
Base-Base interactions energy: -428.969
where: short stacking energy: -293.167
Base-Backbone interact. energy: 2.676
local terms energy: -361.077418
where:
bonds (distance) C4'-P energy: -78.989
bonds (distance) P-C4' energy: -86.942
flat angles C4'-P-C4' energy: -77.798
flat angles P-C4'-P energy: -64.043
tors. eta vs tors. theta energy: -53.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -732.342909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.342909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.342909 (E_RNA)
where:
Base-Base interactions energy: -369.294
where: short stacking energy: -244.443
Base-Backbone interact. energy: -0.951
local terms energy: -362.098219
where:
bonds (distance) C4'-P energy: -98.974
bonds (distance) P-C4' energy: -93.561
flat angles C4'-P-C4' energy: -72.006
flat angles P-C4'-P energy: -50.294
tors. eta vs tors. theta energy: -47.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -572.669838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.669838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.669838 (E_RNA)
where:
Base-Base interactions energy: -236.557
where: short stacking energy: -189.074
Base-Backbone interact. energy: 2.043
local terms energy: -338.156399
where:
bonds (distance) C4'-P energy: -84.502
bonds (distance) P-C4' energy: -93.653
flat angles C4'-P-C4' energy: -86.446
flat angles P-C4'-P energy: -43.581
tors. eta vs tors. theta energy: -29.975
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: 76
Temperature: 1.200000
Total energy: -540.915036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.915036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.915036 (E_RNA)
where:
Base-Base interactions energy: -233.437
where: short stacking energy: -180.317
Base-Backbone interact. energy: -2.276
local terms energy: -305.201083
where:
bonds (distance) C4'-P energy: -82.568
bonds (distance) P-C4' energy: -67.120
flat angles C4'-P-C4' energy: -84.390
flat angles P-C4'-P energy: -46.891
tors. eta vs tors. theta energy: -24.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -422.510214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.510214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.510214 (E_RNA)
where:
Base-Base interactions energy: -144.899
where: short stacking energy: -125.840
Base-Backbone interact. energy: 1.166
local terms energy: -278.777314
where:
bonds (distance) C4'-P energy: -77.262
bonds (distance) P-C4' energy: -96.708
flat angles C4'-P-C4' energy: -74.628
flat angles P-C4'-P energy: -34.997
tors. eta vs tors. theta energy: 4.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -375.805935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.805935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.805935 (E_RNA)
where:
Base-Base interactions energy: -132.495
where: short stacking energy: -123.372
Base-Backbone interact. energy: 2.113
local terms energy: -245.423506
where:
bonds (distance) C4'-P energy: -71.852
bonds (distance) P-C4' energy: -76.658
flat angles C4'-P-C4' energy: -65.024
flat angles P-C4'-P energy: -39.617
tors. eta vs tors. theta energy: 7.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -346.059079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.059079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.059079 (E_RNA)
where:
Base-Base interactions energy: -107.748
where: short stacking energy: -101.849
Base-Backbone interact. energy: -3.714
local terms energy: -234.596750
where:
bonds (distance) C4'-P energy: -77.855
bonds (distance) P-C4' energy: -77.984
flat angles C4'-P-C4' energy: -54.826
flat angles P-C4'-P energy: -27.167
tors. eta vs tors. theta energy: 3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1202.116425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.116425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.116425 (E_RNA)
where:
Base-Base interactions energy: -718.271
where: short stacking energy: -434.415
Base-Backbone interact. energy: 0.731
local terms energy: -484.576918
where:
bonds (distance) C4'-P energy: -92.483
bonds (distance) P-C4' energy: -99.762
flat angles C4'-P-C4' energy: -93.695
flat angles P-C4'-P energy: -72.870
tors. eta vs tors. theta energy: -125.767
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: 77
Temperature: 0.950000
Total energy: -1081.783794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.783794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.783794 (E_RNA)
where:
Base-Base interactions energy: -630.333
where: short stacking energy: -349.330
Base-Backbone interact. energy: -1.784
local terms energy: -449.666803
where:
bonds (distance) C4'-P energy: -81.007
bonds (distance) P-C4' energy: -87.196
flat angles C4'-P-C4' energy: -103.561
flat angles P-C4'-P energy: -71.471
tors. eta vs tors. theta energy: -106.431
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: 77
Temperature: 1.000000
Total energy: -1005.066202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.066202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.066202 (E_RNA)
where:
Base-Base interactions energy: -583.643
where: short stacking energy: -346.249
Base-Backbone interact. energy: -1.608
local terms energy: -419.815383
where:
bonds (distance) C4'-P energy: -84.924
bonds (distance) P-C4' energy: -93.949
flat angles C4'-P-C4' energy: -89.866
flat angles P-C4'-P energy: -68.406
tors. eta vs tors. theta energy: -82.670
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: 77
Temperature: 1.050000
Total energy: -812.875638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.875638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.875638 (E_RNA)
where:
Base-Base interactions energy: -436.160
where: short stacking energy: -265.073
Base-Backbone interact. energy: 2.863
local terms energy: -379.577858
where:
bonds (distance) C4'-P energy: -77.128
bonds (distance) P-C4' energy: -106.202
flat angles C4'-P-C4' energy: -93.813
flat angles P-C4'-P energy: -52.637
tors. eta vs tors. theta energy: -49.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -694.717723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.717723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.717723 (E_RNA)
where:
Base-Base interactions energy: -334.141
where: short stacking energy: -212.979
Base-Backbone interact. energy: -3.295
local terms energy: -357.282228
where:
bonds (distance) C4'-P energy: -90.944
bonds (distance) P-C4' energy: -88.202
flat angles C4'-P-C4' energy: -84.600
flat angles P-C4'-P energy: -60.404
tors. eta vs tors. theta energy: -33.132
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: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -558.687754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.687754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.687754 (E_RNA)
where:
Base-Base interactions energy: -239.007
where: short stacking energy: -136.128
Base-Backbone interact. energy: -0.407
local terms energy: -319.273429
where:
bonds (distance) C4'-P energy: -86.104
bonds (distance) P-C4' energy: -87.760
flat angles C4'-P-C4' energy: -93.137
flat angles P-C4'-P energy: -46.158
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -466.361502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.361502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.361502 (E_RNA)
where:
Base-Base interactions energy: -186.693
where: short stacking energy: -129.621
Base-Backbone interact. energy: -1.619
local terms energy: -278.049470
where:
bonds (distance) C4'-P energy: -78.115
bonds (distance) P-C4' energy: -80.643
flat angles C4'-P-C4' energy: -70.901
flat angles P-C4'-P energy: -56.220
tors. eta vs tors. theta energy: 7.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -402.058572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.058572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.058572 (E_RNA)
where:
Base-Base interactions energy: -148.999
where: short stacking energy: -139.626
Base-Backbone interact. energy: 0.219
local terms energy: -253.279191
where:
bonds (distance) C4'-P energy: -70.793
bonds (distance) P-C4' energy: -67.947
flat angles C4'-P-C4' energy: -68.660
flat angles P-C4'-P energy: -35.807
tors. eta vs tors. theta energy: -10.072
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: 5
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -398.919798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.919798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.919798 (E_RNA)
where:
Base-Base interactions energy: -139.206
where: short stacking energy: -109.677
Base-Backbone interact. energy: 7.876
local terms energy: -267.590345
where:
bonds (distance) C4'-P energy: -67.636
bonds (distance) P-C4' energy: -95.247
flat angles C4'-P-C4' energy: -68.158
flat angles P-C4'-P energy: -39.398
tors. eta vs tors. theta energy: 2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -341.069335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.069335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.069335 (E_RNA)
where:
Base-Base interactions energy: -105.583
where: short stacking energy: -99.957
Base-Backbone interact. energy: 0.534
local terms energy: -236.019900
where:
bonds (distance) C4'-P energy: -79.488
bonds (distance) P-C4' energy: -63.716
flat angles C4'-P-C4' energy: -58.830
flat angles P-C4'-P energy: -42.126
tors. eta vs tors. theta energy: 8.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1204.350007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.350007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.350007 (E_RNA)
where:
Base-Base interactions energy: -727.723
where: short stacking energy: -423.725
Base-Backbone interact. energy: -0.683
local terms energy: -475.944118
where:
bonds (distance) C4'-P energy: -102.089
bonds (distance) P-C4' energy: -94.178
flat angles C4'-P-C4' energy: -104.585
flat angles P-C4'-P energy: -53.640
tors. eta vs tors. theta energy: -121.452
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: 78
Temperature: 0.950000
Total energy: -1085.327243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.327243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.327243 (E_RNA)
where:
Base-Base interactions energy: -657.940
where: short stacking energy: -380.187
Base-Backbone interact. energy: -0.999
local terms energy: -426.388268
where:
bonds (distance) C4'-P energy: -83.972
bonds (distance) P-C4' energy: -88.984
flat angles C4'-P-C4' energy: -93.263
flat angles P-C4'-P energy: -48.599
tors. eta vs tors. theta energy: -111.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1005.936704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.936704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.936704 (E_RNA)
where:
Base-Base interactions energy: -591.647
where: short stacking energy: -371.747
Base-Backbone interact. energy: 0.008
local terms energy: -414.296889
where:
bonds (distance) C4'-P energy: -87.814
bonds (distance) P-C4' energy: -89.816
flat angles C4'-P-C4' energy: -85.461
flat angles P-C4'-P energy: -55.293
tors. eta vs tors. theta energy: -95.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -798.309305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.309305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.309305 (E_RNA)
where:
Base-Base interactions energy: -415.061
where: short stacking energy: -243.263
Base-Backbone interact. energy: -1.572
local terms energy: -381.676019
where:
bonds (distance) C4'-P energy: -77.656
bonds (distance) P-C4' energy: -87.703
flat angles C4'-P-C4' energy: -91.172
flat angles P-C4'-P energy: -57.159
tors. eta vs tors. theta energy: -67.987
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: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -675.470963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.470963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.470963 (E_RNA)
where:
Base-Base interactions energy: -321.229
where: short stacking energy: -199.822
Base-Backbone interact. energy: 2.425
local terms energy: -356.666775
where:
bonds (distance) C4'-P energy: -89.131
bonds (distance) P-C4' energy: -86.205
flat angles C4'-P-C4' energy: -87.450
flat angles P-C4'-P energy: -60.750
tors. eta vs tors. theta energy: -33.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -533.705687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.705687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.705687 (E_RNA)
where:
Base-Base interactions energy: -221.333
where: short stacking energy: -170.586
Base-Backbone interact. energy: -1.616
local terms energy: -310.756536
where:
bonds (distance) C4'-P energy: -75.682
bonds (distance) P-C4' energy: -86.185
flat angles C4'-P-C4' energy: -68.013
flat angles P-C4'-P energy: -60.630
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -509.469335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.469335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.469335 (E_RNA)
where:
Base-Base interactions energy: -204.129
where: short stacking energy: -173.483
Base-Backbone interact. energy: 1.464
local terms energy: -306.804184
where:
bonds (distance) C4'-P energy: -65.401
bonds (distance) P-C4' energy: -89.523
flat angles C4'-P-C4' energy: -83.621
flat angles P-C4'-P energy: -51.130
tors. eta vs tors. theta energy: -17.129
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: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -429.870184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.870184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.870184 (E_RNA)
where:
Base-Base interactions energy: -144.790
where: short stacking energy: -123.169
Base-Backbone interact. energy: -0.287
local terms energy: -284.793257
where:
bonds (distance) C4'-P energy: -84.846
bonds (distance) P-C4' energy: -74.533
flat angles C4'-P-C4' energy: -75.584
flat angles P-C4'-P energy: -47.902
tors. eta vs tors. theta energy: -1.928
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: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -356.181033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.181033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.181033 (E_RNA)
where:
Base-Base interactions energy: -124.571
where: short stacking energy: -92.417
Base-Backbone interact. energy: 0.925
local terms energy: -232.534966
where:
bonds (distance) C4'-P energy: -73.879
bonds (distance) P-C4' energy: -84.708
flat angles C4'-P-C4' energy: -59.306
flat angles P-C4'-P energy: -31.021
tors. eta vs tors. theta energy: 16.379
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: 78
Temperature: 1.350000
Total energy: -347.043679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.043679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.043679 (E_RNA)
where:
Base-Base interactions energy: -81.224
where: short stacking energy: -76.429
Base-Backbone interact. energy: 1.956
local terms energy: -267.775524
where:
bonds (distance) C4'-P energy: -82.168
bonds (distance) P-C4' energy: -91.919
flat angles C4'-P-C4' energy: -62.618
flat angles P-C4'-P energy: -50.001
tors. eta vs tors. theta energy: 18.931
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: 6
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1145.171339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.171339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.171339 (E_RNA)
where:
Base-Base interactions energy: -678.622
where: short stacking energy: -380.141
Base-Backbone interact. energy: -1.372
local terms energy: -465.177093
where:
bonds (distance) C4'-P energy: -82.615
bonds (distance) P-C4' energy: -102.974
flat angles C4'-P-C4' energy: -103.812
flat angles P-C4'-P energy: -68.277
tors. eta vs tors. theta energy: -107.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1102.891999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.891999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.891999 (E_RNA)
where:
Base-Base interactions energy: -635.625
where: short stacking energy: -377.509
Base-Backbone interact. energy: -0.425
local terms energy: -466.841396
where:
bonds (distance) C4'-P energy: -91.299
bonds (distance) P-C4' energy: -93.428
flat angles C4'-P-C4' energy: -102.855
flat angles P-C4'-P energy: -58.779
tors. eta vs tors. theta energy: -120.480
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: 79
Temperature: 1.000000
Total energy: -999.472244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.472244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.472244 (E_RNA)
where:
Base-Base interactions energy: -573.434
where: short stacking energy: -344.835
Base-Backbone interact. energy: 1.953
local terms energy: -427.991227
where:
bonds (distance) C4'-P energy: -92.845
bonds (distance) P-C4' energy: -92.273
flat angles C4'-P-C4' energy: -89.471
flat angles P-C4'-P energy: -56.102
tors. eta vs tors. theta energy: -97.299
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: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -800.308870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.308870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.308870 (E_RNA)
where:
Base-Base interactions energy: -403.740
where: short stacking energy: -271.943
Base-Backbone interact. energy: 0.089
local terms energy: -396.657828
where:
bonds (distance) C4'-P energy: -94.088
bonds (distance) P-C4' energy: -91.431
flat angles C4'-P-C4' energy: -102.233
flat angles P-C4'-P energy: -50.453
tors. eta vs tors. theta energy: -58.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -695.892488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.892488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.892488 (E_RNA)
where:
Base-Base interactions energy: -356.919
where: short stacking energy: -235.803
Base-Backbone interact. energy: -1.305
local terms energy: -337.668490
where:
bonds (distance) C4'-P energy: -80.559
bonds (distance) P-C4' energy: -86.887
flat angles C4'-P-C4' energy: -77.070
flat angles P-C4'-P energy: -53.184
tors. eta vs tors. theta energy: -39.969
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: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -555.621892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.621892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.621892 (E_RNA)
where:
Base-Base interactions energy: -223.429
where: short stacking energy: -169.233
Base-Backbone interact. energy: -0.336
local terms energy: -331.856396
where:
bonds (distance) C4'-P energy: -86.346
bonds (distance) P-C4' energy: -86.473
flat angles C4'-P-C4' energy: -87.890
flat angles P-C4'-P energy: -42.076
tors. eta vs tors. theta energy: -29.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -458.684333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.684333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.684333 (E_RNA)
where:
Base-Base interactions energy: -168.560
where: short stacking energy: -137.739
Base-Backbone interact. energy: -2.286
local terms energy: -287.838469
where:
bonds (distance) C4'-P energy: -76.261
bonds (distance) P-C4' energy: -90.834
flat angles C4'-P-C4' energy: -79.831
flat angles P-C4'-P energy: -29.623
tors. eta vs tors. theta energy: -11.290
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: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -421.586803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.586803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.586803 (E_RNA)
where:
Base-Base interactions energy: -168.791
where: short stacking energy: -129.044
Base-Backbone interact. energy: 2.482
local terms energy: -255.277941
where:
bonds (distance) C4'-P energy: -75.856
bonds (distance) P-C4' energy: -80.748
flat angles C4'-P-C4' energy: -66.949
flat angles P-C4'-P energy: -45.306
tors. eta vs tors. theta energy: 13.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -379.905841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.905841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.905841 (E_RNA)
where:
Base-Base interactions energy: -124.217
where: short stacking energy: -105.607
Base-Backbone interact. energy: 0.168
local terms energy: -255.857069
where:
bonds (distance) C4'-P energy: -82.991
bonds (distance) P-C4' energy: -80.494
flat angles C4'-P-C4' energy: -71.031
flat angles P-C4'-P energy: -30.617
tors. eta vs tors. theta energy: 9.276
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: 5
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -352.674200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.674200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.674200 (E_RNA)
where:
Base-Base interactions energy: -125.780
where: short stacking energy: -101.315
Base-Backbone interact. energy: 1.130
local terms energy: -228.024160
where:
bonds (distance) C4'-P energy: -72.483
bonds (distance) P-C4' energy: -73.286
flat angles C4'-P-C4' energy: -70.742
flat angles P-C4'-P energy: -34.075
tors. eta vs tors. theta energy: 22.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1154.583293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.583293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.583293 (E_RNA)
where:
Base-Base interactions energy: -680.911
where: short stacking energy: -411.665
Base-Backbone interact. energy: -0.671
local terms energy: -473.001512
where:
bonds (distance) C4'-P energy: -90.047
bonds (distance) P-C4' energy: -101.058
flat angles C4'-P-C4' energy: -96.664
flat angles P-C4'-P energy: -65.266
tors. eta vs tors. theta energy: -119.967
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: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1142.933843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.933843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.933843 (E_RNA)
where:
Base-Base interactions energy: -672.953
where: short stacking energy: -391.144
Base-Backbone interact. energy: -1.448
local terms energy: -468.533195
where:
bonds (distance) C4'-P energy: -90.765
bonds (distance) P-C4' energy: -96.179
flat angles C4'-P-C4' energy: -95.258
flat angles P-C4'-P energy: -68.662
tors. eta vs tors. theta energy: -117.669
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: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -953.727101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.727101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.727101 (E_RNA)
where:
Base-Base interactions energy: -546.915
where: short stacking energy: -341.916
Base-Backbone interact. energy: 1.577
local terms energy: -408.389138
where:
bonds (distance) C4'-P energy: -87.847
bonds (distance) P-C4' energy: -74.392
flat angles C4'-P-C4' energy: -91.721
flat angles P-C4'-P energy: -65.444
tors. eta vs tors. theta energy: -88.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -806.357459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.357459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.357459 (E_RNA)
where:
Base-Base interactions energy: -411.579
where: short stacking energy: -255.660
Base-Backbone interact. energy: 0.652
local terms energy: -395.430438
where:
bonds (distance) C4'-P energy: -80.280
bonds (distance) P-C4' energy: -95.610
flat angles C4'-P-C4' energy: -101.325
flat angles P-C4'-P energy: -55.122
tors. eta vs tors. theta energy: -63.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -713.417558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.417558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.417558 (E_RNA)
where:
Base-Base interactions energy: -360.622
where: short stacking energy: -238.900
Base-Backbone interact. energy: -0.489
local terms energy: -352.305656
where:
bonds (distance) C4'-P energy: -73.395
bonds (distance) P-C4' energy: -89.543
flat angles C4'-P-C4' energy: -86.893
flat angles P-C4'-P energy: -51.478
tors. eta vs tors. theta energy: -50.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -591.323558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.323558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.323558 (E_RNA)
where:
Base-Base interactions energy: -261.599
where: short stacking energy: -156.422
Base-Backbone interact. energy: 1.980
local terms energy: -331.705263
where:
bonds (distance) C4'-P energy: -77.206
bonds (distance) P-C4' energy: -88.387
flat angles C4'-P-C4' energy: -85.233
flat angles P-C4'-P energy: -57.637
tors. eta vs tors. theta energy: -23.243
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: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -474.082216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.082216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.082216 (E_RNA)
where:
Base-Base interactions energy: -181.122
where: short stacking energy: -142.651
Base-Backbone interact. energy: -1.528
local terms energy: -291.431590
where:
bonds (distance) C4'-P energy: -82.284
bonds (distance) P-C4' energy: -83.289
flat angles C4'-P-C4' energy: -75.684
flat angles P-C4'-P energy: -41.302
tors. eta vs tors. theta energy: -8.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -405.407284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.407284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.407284 (E_RNA)
where:
Base-Base interactions energy: -141.769
where: short stacking energy: -123.491
Base-Backbone interact. energy: -1.276
local terms energy: -262.362670
where:
bonds (distance) C4'-P energy: -66.357
bonds (distance) P-C4' energy: -68.824
flat angles C4'-P-C4' energy: -80.490
flat angles P-C4'-P energy: -39.791
tors. eta vs tors. theta energy: -6.901
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: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -377.887341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.887341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.887341 (E_RNA)
where:
Base-Base interactions energy: -108.122
where: short stacking energy: -97.691
Base-Backbone interact. energy: 3.009
local terms energy: -272.774467
where:
bonds (distance) C4'-P energy: -75.347
bonds (distance) P-C4' energy: -90.639
flat angles C4'-P-C4' energy: -80.399
flat angles P-C4'-P energy: -39.735
tors. eta vs tors. theta energy: 13.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -360.586420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.586420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.586420 (E_RNA)
where:
Base-Base interactions energy: -148.971
where: short stacking energy: -119.224
Base-Backbone interact. energy: 4.870
local terms energy: -216.485513
where:
bonds (distance) C4'-P energy: -57.977
bonds (distance) P-C4' energy: -85.641
flat angles C4'-P-C4' energy: -56.894
flat angles P-C4'-P energy: -35.287
tors. eta vs tors. theta energy: 19.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1152.670257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.670257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.670257 (E_RNA)
where:
Base-Base interactions energy: -675.173
where: short stacking energy: -414.514
Base-Backbone interact. energy: -1.426
local terms energy: -476.071147
where:
bonds (distance) C4'-P energy: -90.579
bonds (distance) P-C4' energy: -95.503
flat angles C4'-P-C4' energy: -96.578
flat angles P-C4'-P energy: -70.920
tors. eta vs tors. theta energy: -122.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1132.157567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.157567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.157567 (E_RNA)
where:
Base-Base interactions energy: -671.344
where: short stacking energy: -385.062
Base-Backbone interact. energy: 0.527
local terms energy: -461.341217
where:
bonds (distance) C4'-P energy: -84.611
bonds (distance) P-C4' energy: -92.721
flat angles C4'-P-C4' energy: -103.033
flat angles P-C4'-P energy: -66.796
tors. eta vs tors. theta energy: -114.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -909.384179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.384179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.384179 (E_RNA)
where:
Base-Base interactions energy: -492.237
where: short stacking energy: -323.127
Base-Backbone interact. energy: 0.713
local terms energy: -417.860384
where:
bonds (distance) C4'-P energy: -78.976
bonds (distance) P-C4' energy: -94.902
flat angles C4'-P-C4' energy: -96.766
flat angles P-C4'-P energy: -62.482
tors. eta vs tors. theta energy: -84.735
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: 7
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -815.115264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.115264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.115264 (E_RNA)
where:
Base-Base interactions energy: -436.412
where: short stacking energy: -279.383
Base-Backbone interact. energy: -1.511
local terms energy: -377.192465
where:
bonds (distance) C4'-P energy: -92.992
bonds (distance) P-C4' energy: -76.178
flat angles C4'-P-C4' energy: -91.110
flat angles P-C4'-P energy: -47.525
tors. eta vs tors. theta energy: -69.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -681.943101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.943101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.943101 (E_RNA)
where:
Base-Base interactions energy: -341.843
where: short stacking energy: -239.148
Base-Backbone interact. energy: 1.699
local terms energy: -341.799574
where:
bonds (distance) C4'-P energy: -67.181
bonds (distance) P-C4' energy: -94.882
flat angles C4'-P-C4' energy: -72.718
flat angles P-C4'-P energy: -64.386
tors. eta vs tors. theta energy: -42.633
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: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -555.539518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.539518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.539518 (E_RNA)
where:
Base-Base interactions energy: -245.479
where: short stacking energy: -187.344
Base-Backbone interact. energy: 4.949
local terms energy: -315.010165
where:
bonds (distance) C4'-P energy: -80.899
bonds (distance) P-C4' energy: -73.316
flat angles C4'-P-C4' energy: -81.274
flat angles P-C4'-P energy: -54.869
tors. eta vs tors. theta energy: -24.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -495.369714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.369714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.369714 (E_RNA)
where:
Base-Base interactions energy: -191.465
where: short stacking energy: -163.882
Base-Backbone interact. energy: 0.505
local terms energy: -304.409850
where:
bonds (distance) C4'-P energy: -90.911
bonds (distance) P-C4' energy: -94.723
flat angles C4'-P-C4' energy: -73.301
flat angles P-C4'-P energy: -41.381
tors. eta vs tors. theta energy: -4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -427.431864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.431864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.431864 (E_RNA)
where:
Base-Base interactions energy: -169.140
where: short stacking energy: -149.393
Base-Backbone interact. energy: 0.358
local terms energy: -258.650058
where:
bonds (distance) C4'-P energy: -80.209
bonds (distance) P-C4' energy: -77.400
flat angles C4'-P-C4' energy: -60.960
flat angles P-C4'-P energy: -42.834
tors. eta vs tors. theta energy: 2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -372.629332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.629332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.629332 (E_RNA)
where:
Base-Base interactions energy: -109.817
where: short stacking energy: -108.806
Base-Backbone interact. energy: 1.381
local terms energy: -264.193978
where:
bonds (distance) C4'-P energy: -70.316
bonds (distance) P-C4' energy: -84.186
flat angles C4'-P-C4' energy: -68.376
flat angles P-C4'-P energy: -40.569
tors. eta vs tors. theta energy: -0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -360.744194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.744194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.744194 (E_RNA)
where:
Base-Base interactions energy: -104.821
where: short stacking energy: -98.188
Base-Backbone interact. energy: 4.717
local terms energy: -260.639785
where:
bonds (distance) C4'-P energy: -80.622
bonds (distance) P-C4' energy: -72.588
flat angles C4'-P-C4' energy: -74.056
flat angles P-C4'-P energy: -42.040
tors. eta vs tors. theta energy: 8.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1144.558187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.558187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.558187 (E_RNA)
where:
Base-Base interactions energy: -664.182
where: short stacking energy: -396.752
Base-Backbone interact. energy: -1.060
local terms energy: -479.315415
where:
bonds (distance) C4'-P energy: -88.671
bonds (distance) P-C4' energy: -99.472
flat angles C4'-P-C4' energy: -114.614
flat angles P-C4'-P energy: -65.237
tors. eta vs tors. theta energy: -111.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1102.675963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.675963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.675963 (E_RNA)
where:
Base-Base interactions energy: -655.539
where: short stacking energy: -389.904
Base-Backbone interact. energy: -0.815
local terms energy: -446.322290
where:
bonds (distance) C4'-P energy: -88.277
bonds (distance) P-C4' energy: -97.908
flat angles C4'-P-C4' energy: -98.923
flat angles P-C4'-P energy: -58.033
tors. eta vs tors. theta energy: -103.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -890.416677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.416677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.416677 (E_RNA)
where:
Base-Base interactions energy: -480.565
where: short stacking energy: -305.336
Base-Backbone interact. energy: 0.266
local terms energy: -410.118041
where:
bonds (distance) C4'-P energy: -85.749
bonds (distance) P-C4' energy: -94.376
flat angles C4'-P-C4' energy: -92.904
flat angles P-C4'-P energy: -60.381
tors. eta vs tors. theta energy: -76.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -836.755075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.755075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.755075 (E_RNA)
where:
Base-Base interactions energy: -464.165
where: short stacking energy: -277.588
Base-Backbone interact. energy: -1.257
local terms energy: -371.333323
where:
bonds (distance) C4'-P energy: -79.748
bonds (distance) P-C4' energy: -90.141
flat angles C4'-P-C4' energy: -84.251
flat angles P-C4'-P energy: -57.438
tors. eta vs tors. theta energy: -59.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -695.270152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.270152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.270152 (E_RNA)
where:
Base-Base interactions energy: -336.664
where: short stacking energy: -224.272
Base-Backbone interact. energy: -1.324
local terms energy: -357.281887
where:
bonds (distance) C4'-P energy: -95.859
bonds (distance) P-C4' energy: -89.249
flat angles C4'-P-C4' energy: -75.869
flat angles P-C4'-P energy: -54.285
tors. eta vs tors. theta energy: -42.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -560.716120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.716120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.716120 (E_RNA)
where:
Base-Base interactions energy: -236.797
where: short stacking energy: -180.607
Base-Backbone interact. energy: 1.086
local terms energy: -325.005480
where:
bonds (distance) C4'-P energy: -85.969
bonds (distance) P-C4' energy: -81.914
flat angles C4'-P-C4' energy: -70.851
flat angles P-C4'-P energy: -59.698
tors. eta vs tors. theta energy: -26.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -468.021040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.021040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.021040 (E_RNA)
where:
Base-Base interactions energy: -172.730
where: short stacking energy: -150.160
Base-Backbone interact. energy: 3.005
local terms energy: -298.295929
where:
bonds (distance) C4'-P energy: -80.435
bonds (distance) P-C4' energy: -88.302
flat angles C4'-P-C4' energy: -83.686
flat angles P-C4'-P energy: -42.837
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -408.881301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.881301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.881301 (E_RNA)
where:
Base-Base interactions energy: -134.903
where: short stacking energy: -122.716
Base-Backbone interact. energy: 3.267
local terms energy: -277.246063
where:
bonds (distance) C4'-P energy: -75.996
bonds (distance) P-C4' energy: -80.845
flat angles C4'-P-C4' energy: -73.300
flat angles P-C4'-P energy: -57.809
tors. eta vs tors. theta energy: 10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -466.867965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.867965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.867965 (E_RNA)
where:
Base-Base interactions energy: -170.045
where: short stacking energy: -130.274
Base-Backbone interact. energy: -1.249
local terms energy: -295.574918
where:
bonds (distance) C4'-P energy: -87.119
bonds (distance) P-C4' energy: -82.954
flat angles C4'-P-C4' energy: -72.828
flat angles P-C4'-P energy: -50.060
tors. eta vs tors. theta energy: -2.615
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: 10, replica: 5
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -349.765601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.765601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.765601 (E_RNA)
where:
Base-Base interactions energy: -114.127
where: short stacking energy: -90.219
Base-Backbone interact. energy: -0.507
local terms energy: -235.132121
where:
bonds (distance) C4'-P energy: -54.817
bonds (distance) P-C4' energy: -62.887
flat angles C4'-P-C4' energy: -65.328
flat angles P-C4'-P energy: -60.768
tors. eta vs tors. theta energy: 8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1130.503117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.503117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.503117 (E_RNA)
where:
Base-Base interactions energy: -646.842
where: short stacking energy: -391.580
Base-Backbone interact. energy: -0.253
local terms energy: -483.408167
where:
bonds (distance) C4'-P energy: -96.251
bonds (distance) P-C4' energy: -99.070
flat angles C4'-P-C4' energy: -101.602
flat angles P-C4'-P energy: -71.980
tors. eta vs tors. theta energy: -114.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1118.408602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.408602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.408602 (E_RNA)
where:
Base-Base interactions energy: -675.906
where: short stacking energy: -381.246
Base-Backbone interact. energy: -0.651
local terms energy: -441.851347
where:
bonds (distance) C4'-P energy: -90.779
bonds (distance) P-C4' energy: -89.075
flat angles C4'-P-C4' energy: -96.820
flat angles P-C4'-P energy: -58.778
tors. eta vs tors. theta energy: -106.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -871.680522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.680522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.680522 (E_RNA)
where:
Base-Base interactions energy: -456.408
where: short stacking energy: -310.566
Base-Backbone interact. energy: 0.261
local terms energy: -415.532807
where:
bonds (distance) C4'-P energy: -93.073
bonds (distance) P-C4' energy: -83.233
flat angles C4'-P-C4' energy: -94.440
flat angles P-C4'-P energy: -63.815
tors. eta vs tors. theta energy: -80.972
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: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -795.883091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.883091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.883091 (E_RNA)
where:
Base-Base interactions energy: -439.695
where: short stacking energy: -258.481
Base-Backbone interact. energy: -0.927
local terms energy: -355.261418
where:
bonds (distance) C4'-P energy: -89.436
bonds (distance) P-C4' energy: -80.705
flat angles C4'-P-C4' energy: -80.546
flat angles P-C4'-P energy: -56.077
tors. eta vs tors. theta energy: -48.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -753.983465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.983465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.983465 (E_RNA)
where:
Base-Base interactions energy: -386.364
where: short stacking energy: -220.796
Base-Backbone interact. energy: -0.219
local terms energy: -367.400263
where:
bonds (distance) C4'-P energy: -89.782
bonds (distance) P-C4' energy: -85.044
flat angles C4'-P-C4' energy: -83.142
flat angles P-C4'-P energy: -60.090
tors. eta vs tors. theta energy: -49.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -572.751462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.751462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.751462 (E_RNA)
where:
Base-Base interactions energy: -257.752
where: short stacking energy: -201.366
Base-Backbone interact. energy: -1.096
local terms energy: -313.903119
where:
bonds (distance) C4'-P energy: -78.201
bonds (distance) P-C4' energy: -79.165
flat angles C4'-P-C4' energy: -86.439
flat angles P-C4'-P energy: -45.844
tors. eta vs tors. theta energy: -24.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -457.034012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.034012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.034012 (E_RNA)
where:
Base-Base interactions energy: -179.377
where: short stacking energy: -140.406
Base-Backbone interact. energy: -1.308
local terms energy: -276.348376
where:
bonds (distance) C4'-P energy: -77.773
bonds (distance) P-C4' energy: -87.559
flat angles C4'-P-C4' energy: -83.174
flat angles P-C4'-P energy: -20.923
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -451.554544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.554544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.554544 (E_RNA)
where:
Base-Base interactions energy: -187.655
where: short stacking energy: -141.892
Base-Backbone interact. energy: -0.379
local terms energy: -263.520733
where:
bonds (distance) C4'-P energy: -72.080
bonds (distance) P-C4' energy: -79.148
flat angles C4'-P-C4' energy: -68.132
flat angles P-C4'-P energy: -56.369
tors. eta vs tors. theta energy: 12.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -366.533135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.533135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.533135 (E_RNA)
where:
Base-Base interactions energy: -114.910
where: short stacking energy: -101.662
Base-Backbone interact. energy: -0.315
local terms energy: -251.307981
where:
bonds (distance) C4'-P energy: -70.357
bonds (distance) P-C4' energy: -80.174
flat angles C4'-P-C4' energy: -55.732
flat angles P-C4'-P energy: -49.077
tors. eta vs tors. theta energy: 4.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -334.414786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.414786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.414786 (E_RNA)
where:
Base-Base interactions energy: -115.546
where: short stacking energy: -89.983
Base-Backbone interact. energy: 0.155
local terms energy: -219.023507
where:
bonds (distance) C4'-P energy: -72.439
bonds (distance) P-C4' energy: -72.430
flat angles C4'-P-C4' energy: -55.184
flat angles P-C4'-P energy: -36.553
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: 1, replica: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1134.514100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.514100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.514100 (E_RNA)
where:
Base-Base interactions energy: -672.190
where: short stacking energy: -360.296
Base-Backbone interact. energy: -1.218
local terms energy: -461.106405
where:
bonds (distance) C4'-P energy: -91.753
bonds (distance) P-C4' energy: -103.565
flat angles C4'-P-C4' energy: -99.531
flat angles P-C4'-P energy: -65.414
tors. eta vs tors. theta energy: -100.844
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: 2, replica: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1081.102848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.102848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.102848 (E_RNA)
where:
Base-Base interactions energy: -634.914
where: short stacking energy: -387.500
Base-Backbone interact. energy: -1.159
local terms energy: -445.030222
where:
bonds (distance) C4'-P energy: -85.097
bonds (distance) P-C4' energy: -91.932
flat angles C4'-P-C4' energy: -105.041
flat angles P-C4'-P energy: -56.288
tors. eta vs tors. theta energy: -106.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -888.386353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.386353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.386353 (E_RNA)
where:
Base-Base interactions energy: -470.901
where: short stacking energy: -307.214
Base-Backbone interact. energy: 1.635
local terms energy: -419.120636
where:
bonds (distance) C4'-P energy: -77.975
bonds (distance) P-C4' energy: -100.177
flat angles C4'-P-C4' energy: -103.063
flat angles P-C4'-P energy: -60.113
tors. eta vs tors. theta energy: -77.792
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: 84
Temperature: 1.050000
Total energy: -830.099513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.099513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.099513 (E_RNA)
where:
Base-Base interactions energy: -421.516
where: short stacking energy: -275.446
Base-Backbone interact. energy: -0.335
local terms energy: -408.248568
where:
bonds (distance) C4'-P energy: -95.045
bonds (distance) P-C4' energy: -91.344
flat angles C4'-P-C4' energy: -86.797
flat angles P-C4'-P energy: -51.386
tors. eta vs tors. theta energy: -83.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -711.917514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.917514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.917514 (E_RNA)
where:
Base-Base interactions energy: -374.284
where: short stacking energy: -231.534
Base-Backbone interact. energy: -1.437
local terms energy: -336.196500
where:
bonds (distance) C4'-P energy: -75.406
bonds (distance) P-C4' energy: -79.869
flat angles C4'-P-C4' energy: -80.722
flat angles P-C4'-P energy: -48.723
tors. eta vs tors. theta energy: -51.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -560.408759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.408759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.408759 (E_RNA)
where:
Base-Base interactions energy: -225.050
where: short stacking energy: -168.958
Base-Backbone interact. energy: -0.840
local terms energy: -334.518522
where:
bonds (distance) C4'-P energy: -77.096
bonds (distance) P-C4' energy: -90.049
flat angles C4'-P-C4' energy: -87.139
flat angles P-C4'-P energy: -47.906
tors. eta vs tors. theta energy: -32.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -443.793196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.793196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.793196 (E_RNA)
where:
Base-Base interactions energy: -160.412
where: short stacking energy: -129.879
Base-Backbone interact. energy: 0.299
local terms energy: -283.679899
where:
bonds (distance) C4'-P energy: -78.087
bonds (distance) P-C4' energy: -96.638
flat angles C4'-P-C4' energy: -59.834
flat angles P-C4'-P energy: -54.685
tors. eta vs tors. theta energy: 5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -462.934040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.934040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.934040 (E_RNA)
where:
Base-Base interactions energy: -169.809
where: short stacking energy: -160.724
Base-Backbone interact. energy: 2.189
local terms energy: -295.314112
where:
bonds (distance) C4'-P energy: -69.647
bonds (distance) P-C4' energy: -91.014
flat angles C4'-P-C4' energy: -76.655
flat angles P-C4'-P energy: -38.555
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -377.710672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.710672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.710672 (E_RNA)
where:
Base-Base interactions energy: -115.537
where: short stacking energy: -99.394
Base-Backbone interact. energy: -0.674
local terms energy: -261.499254
where:
bonds (distance) C4'-P energy: -70.452
bonds (distance) P-C4' energy: -87.538
flat angles C4'-P-C4' energy: -64.049
flat angles P-C4'-P energy: -41.686
tors. eta vs tors. theta energy: 2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -378.691284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.691284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.691284 (E_RNA)
where:
Base-Base interactions energy: -133.647
where: short stacking energy: -121.643
Base-Backbone interact. energy: 1.155
local terms energy: -246.199599
where:
bonds (distance) C4'-P energy: -68.647
bonds (distance) P-C4' energy: -64.447
flat angles C4'-P-C4' energy: -67.546
flat angles P-C4'-P energy: -42.221
tors. eta vs tors. theta energy: -3.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1166.071986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.071986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.071986 (E_RNA)
where:
Base-Base interactions energy: -689.298
where: short stacking energy: -436.043
Base-Backbone interact. energy: -0.627
local terms energy: -476.147709
where:
bonds (distance) C4'-P energy: -85.242
bonds (distance) P-C4' energy: -94.541
flat angles C4'-P-C4' energy: -102.584
flat angles P-C4'-P energy: -65.635
tors. eta vs tors. theta energy: -128.146
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: 85
Temperature: 0.950000
Total energy: -1048.226922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.226922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.226922 (E_RNA)
where:
Base-Base interactions energy: -588.318
where: short stacking energy: -326.588
Base-Backbone interact. energy: -1.487
local terms energy: -458.422320
where:
bonds (distance) C4'-P energy: -91.594
bonds (distance) P-C4' energy: -98.098
flat angles C4'-P-C4' energy: -103.501
flat angles P-C4'-P energy: -73.469
tors. eta vs tors. theta energy: -91.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -920.792279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.792279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.792279 (E_RNA)
where:
Base-Base interactions energy: -494.229
where: short stacking energy: -329.716
Base-Backbone interact. energy: -0.707
local terms energy: -425.856436
where:
bonds (distance) C4'-P energy: -88.031
bonds (distance) P-C4' energy: -91.033
flat angles C4'-P-C4' energy: -95.009
flat angles P-C4'-P energy: -60.433
tors. eta vs tors. theta energy: -91.350
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: 85
Temperature: 1.050000
Total energy: -786.097194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.097194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.097194 (E_RNA)
where:
Base-Base interactions energy: -422.875
where: short stacking energy: -283.864
Base-Backbone interact. energy: -0.730
local terms energy: -362.492272
where:
bonds (distance) C4'-P energy: -76.108
bonds (distance) P-C4' energy: -70.759
flat angles C4'-P-C4' energy: -84.174
flat angles P-C4'-P energy: -63.377
tors. eta vs tors. theta energy: -68.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -674.469986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.469986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.469986 (E_RNA)
where:
Base-Base interactions energy: -326.893
where: short stacking energy: -229.781
Base-Backbone interact. energy: -0.714
local terms energy: -346.863480
where:
bonds (distance) C4'-P energy: -87.766
bonds (distance) P-C4' energy: -92.052
flat angles C4'-P-C4' energy: -95.505
flat angles P-C4'-P energy: -35.008
tors. eta vs tors. theta energy: -36.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -556.635639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.635639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.635639 (E_RNA)
where:
Base-Base interactions energy: -234.106
where: short stacking energy: -164.566
Base-Backbone interact. energy: -0.145
local terms energy: -322.384382
where:
bonds (distance) C4'-P energy: -79.562
bonds (distance) P-C4' energy: -84.322
flat angles C4'-P-C4' energy: -67.196
flat angles P-C4'-P energy: -62.629
tors. eta vs tors. theta energy: -28.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -468.002251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.002251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.002251 (E_RNA)
where:
Base-Base interactions energy: -195.956
where: short stacking energy: -135.470
Base-Backbone interact. energy: -1.310
local terms energy: -270.736343
where:
bonds (distance) C4'-P energy: -79.304
bonds (distance) P-C4' energy: -70.103
flat angles C4'-P-C4' energy: -74.500
flat angles P-C4'-P energy: -39.500
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: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -437.081905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.081905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.081905 (E_RNA)
where:
Base-Base interactions energy: -157.899
where: short stacking energy: -137.497
Base-Backbone interact. energy: 0.067
local terms energy: -279.249769
where:
bonds (distance) C4'-P energy: -74.763
bonds (distance) P-C4' energy: -92.492
flat angles C4'-P-C4' energy: -72.132
flat angles P-C4'-P energy: -40.546
tors. eta vs tors. theta energy: 0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -401.041829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.041829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.041829 (E_RNA)
where:
Base-Base interactions energy: -139.223
where: short stacking energy: -116.425
Base-Backbone interact. energy: -2.704
local terms energy: -259.114485
where:
bonds (distance) C4'-P energy: -87.511
bonds (distance) P-C4' energy: -77.047
flat angles C4'-P-C4' energy: -63.228
flat angles P-C4'-P energy: -36.693
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: 1
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -364.470934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.470934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.470934 (E_RNA)
where:
Base-Base interactions energy: -107.182
where: short stacking energy: -95.235
Base-Backbone interact. energy: 1.351
local terms energy: -258.639594
where:
bonds (distance) C4'-P energy: -75.922
bonds (distance) P-C4' energy: -91.077
flat angles C4'-P-C4' energy: -66.959
flat angles P-C4'-P energy: -44.569
tors. eta vs tors. theta energy: 19.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1169.124849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.124849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.124849 (E_RNA)
where:
Base-Base interactions energy: -682.015
where: short stacking energy: -437.935
Base-Backbone interact. energy: -1.025
local terms energy: -486.085437
where:
bonds (distance) C4'-P energy: -81.974
bonds (distance) P-C4' energy: -97.360
flat angles C4'-P-C4' energy: -101.852
flat angles P-C4'-P energy: -76.203
tors. eta vs tors. theta energy: -128.696
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: 86
Temperature: 0.950000
Total energy: -1081.433254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.433254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.433254 (E_RNA)
where:
Base-Base interactions energy: -630.850
where: short stacking energy: -354.086
Base-Backbone interact. energy: -0.960
local terms energy: -449.623188
where:
bonds (distance) C4'-P energy: -99.009
bonds (distance) P-C4' energy: -91.398
flat angles C4'-P-C4' energy: -88.382
flat angles P-C4'-P energy: -72.719
tors. eta vs tors. theta energy: -98.114
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: 7
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -894.848386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.848386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.848386 (E_RNA)
where:
Base-Base interactions energy: -498.489
where: short stacking energy: -311.293
Base-Backbone interact. energy: -0.023
local terms energy: -396.337028
where:
bonds (distance) C4'-P energy: -86.677
bonds (distance) P-C4' energy: -88.547
flat angles C4'-P-C4' energy: -93.116
flat angles P-C4'-P energy: -54.708
tors. eta vs tors. theta energy: -73.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -785.270551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.270551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.270551 (E_RNA)
where:
Base-Base interactions energy: -402.814
where: short stacking energy: -269.394
Base-Backbone interact. energy: -1.094
local terms energy: -381.362007
where:
bonds (distance) C4'-P energy: -81.824
bonds (distance) P-C4' energy: -91.195
flat angles C4'-P-C4' energy: -89.968
flat angles P-C4'-P energy: -65.214
tors. eta vs tors. theta energy: -53.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -581.678793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.678793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.678793 (E_RNA)
where:
Base-Base interactions energy: -244.497
where: short stacking energy: -191.122
Base-Backbone interact. energy: 1.177
local terms energy: -338.359022
where:
bonds (distance) C4'-P energy: -84.274
bonds (distance) P-C4' energy: -94.484
flat angles C4'-P-C4' energy: -88.074
flat angles P-C4'-P energy: -50.595
tors. eta vs tors. theta energy: -20.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -596.461776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.461776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.461776 (E_RNA)
where:
Base-Base interactions energy: -271.007
where: short stacking energy: -180.497
Base-Backbone interact. energy: -1.723
local terms energy: -323.731743
where:
bonds (distance) C4'-P energy: -74.349
bonds (distance) P-C4' energy: -100.026
flat angles C4'-P-C4' energy: -87.922
flat angles P-C4'-P energy: -46.477
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -458.503839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.503839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.503839 (E_RNA)
where:
Base-Base interactions energy: -179.069
where: short stacking energy: -154.595
Base-Backbone interact. energy: 4.351
local terms energy: -283.785395
where:
bonds (distance) C4'-P energy: -82.093
bonds (distance) P-C4' energy: -80.750
flat angles C4'-P-C4' energy: -80.489
flat angles P-C4'-P energy: -32.559
tors. eta vs tors. theta energy: -7.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -431.250749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.250749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.250749 (E_RNA)
where:
Base-Base interactions energy: -143.182
where: short stacking energy: -115.942
Base-Backbone interact. energy: 0.541
local terms energy: -288.610121
where:
bonds (distance) C4'-P energy: -73.872
bonds (distance) P-C4' energy: -94.477
flat angles C4'-P-C4' energy: -77.182
flat angles P-C4'-P energy: -35.088
tors. eta vs tors. theta energy: -7.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -389.490789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.490789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.490789 (E_RNA)
where:
Base-Base interactions energy: -139.523
where: short stacking energy: -119.592
Base-Backbone interact. energy: -0.579
local terms energy: -249.388679
where:
bonds (distance) C4'-P energy: -83.093
bonds (distance) P-C4' energy: -75.670
flat angles C4'-P-C4' energy: -45.094
flat angles P-C4'-P energy: -48.487
tors. eta vs tors. theta energy: 2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -341.808551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.808551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.808551 (E_RNA)
where:
Base-Base interactions energy: -102.663
where: short stacking energy: -96.571
Base-Backbone interact. energy: -1.776
local terms energy: -237.369493
where:
bonds (distance) C4'-P energy: -75.347
bonds (distance) P-C4' energy: -82.051
flat angles C4'-P-C4' energy: -68.512
flat angles P-C4'-P energy: -34.960
tors. eta vs tors. theta energy: 23.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1149.768845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.768845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.768845 (E_RNA)
where:
Base-Base interactions energy: -670.634
where: short stacking energy: -423.846
Base-Backbone interact. energy: -1.136
local terms energy: -477.998283
where:
bonds (distance) C4'-P energy: -93.991
bonds (distance) P-C4' energy: -98.910
flat angles C4'-P-C4' energy: -98.478
flat angles P-C4'-P energy: -66.032
tors. eta vs tors. theta energy: -120.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1071.677848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.677848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.677848 (E_RNA)
where:
Base-Base interactions energy: -609.902
where: short stacking energy: -361.459
Base-Backbone interact. energy: -1.216
local terms energy: -460.559847
where:
bonds (distance) C4'-P energy: -91.824
bonds (distance) P-C4' energy: -91.103
flat angles C4'-P-C4' energy: -101.044
flat angles P-C4'-P energy: -66.822
tors. eta vs tors. theta energy: -109.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -893.383482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.383482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.383482 (E_RNA)
where:
Base-Base interactions energy: -506.233
where: short stacking energy: -314.874
Base-Backbone interact. energy: -0.861
local terms energy: -386.290185
where:
bonds (distance) C4'-P energy: -78.306
bonds (distance) P-C4' energy: -90.873
flat angles C4'-P-C4' energy: -91.248
flat angles P-C4'-P energy: -47.843
tors. eta vs tors. theta energy: -78.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -771.601572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.601572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.601572 (E_RNA)
where:
Base-Base interactions energy: -378.550
where: short stacking energy: -255.779
Base-Backbone interact. energy: -1.701
local terms energy: -391.350705
where:
bonds (distance) C4'-P energy: -83.235
bonds (distance) P-C4' energy: -94.307
flat angles C4'-P-C4' energy: -83.788
flat angles P-C4'-P energy: -54.761
tors. eta vs tors. theta energy: -75.259
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: 9
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -608.627000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.627000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.627000 (E_RNA)
where:
Base-Base interactions energy: -292.469
where: short stacking energy: -220.561
Base-Backbone interact. energy: 5.322
local terms energy: -321.480379
where:
bonds (distance) C4'-P energy: -82.730
bonds (distance) P-C4' energy: -93.402
flat angles C4'-P-C4' energy: -72.358
flat angles P-C4'-P energy: -49.581
tors. eta vs tors. theta energy: -23.410
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: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -636.918578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.918578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.918578 (E_RNA)
where:
Base-Base interactions energy: -294.528
where: short stacking energy: -223.068
Base-Backbone interact. energy: 1.320
local terms energy: -343.710126
where:
bonds (distance) C4'-P energy: -95.681
bonds (distance) P-C4' energy: -86.372
flat angles C4'-P-C4' energy: -82.091
flat angles P-C4'-P energy: -40.897
tors. eta vs tors. theta energy: -38.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -459.811350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.811350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.811350 (E_RNA)
where:
Base-Base interactions energy: -160.380
where: short stacking energy: -136.872
Base-Backbone interact. energy: -0.785
local terms energy: -298.647251
where:
bonds (distance) C4'-P energy: -79.128
bonds (distance) P-C4' energy: -91.566
flat angles C4'-P-C4' energy: -70.376
flat angles P-C4'-P energy: -50.707
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: 1
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -395.482685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.482685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.482685 (E_RNA)
where:
Base-Base interactions energy: -121.067
where: short stacking energy: -105.056
Base-Backbone interact. energy: -2.053
local terms energy: -272.361895
where:
bonds (distance) C4'-P energy: -74.586
bonds (distance) P-C4' energy: -86.134
flat angles C4'-P-C4' energy: -78.999
flat angles P-C4'-P energy: -43.221
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: 9, replica: 5
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -370.997401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.997401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.997401 (E_RNA)
where:
Base-Base interactions energy: -132.260
where: short stacking energy: -118.108
Base-Backbone interact. energy: 2.103
local terms energy: -240.840186
where:
bonds (distance) C4'-P energy: -68.498
bonds (distance) P-C4' energy: -74.783
flat angles C4'-P-C4' energy: -53.075
flat angles P-C4'-P energy: -48.128
tors. eta vs tors. theta energy: 3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -337.806847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.806847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.806847 (E_RNA)
where:
Base-Base interactions energy: -106.351
where: short stacking energy: -87.558
Base-Backbone interact. energy: 1.775
local terms energy: -233.230450
where:
bonds (distance) C4'-P energy: -52.889
bonds (distance) P-C4' energy: -85.669
flat angles C4'-P-C4' energy: -68.251
flat angles P-C4'-P energy: -27.286
tors. eta vs tors. theta energy: 0.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1125.111568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.111568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.111568 (E_RNA)
where:
Base-Base interactions energy: -653.306
where: short stacking energy: -406.267
Base-Backbone interact. energy: -2.709
local terms energy: -469.096334
where:
bonds (distance) C4'-P energy: -88.368
bonds (distance) P-C4' energy: -95.233
flat angles C4'-P-C4' energy: -102.505
flat angles P-C4'-P energy: -63.487
tors. eta vs tors. theta energy: -119.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1084.654679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.654679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.654679 (E_RNA)
where:
Base-Base interactions energy: -626.310
where: short stacking energy: -368.723
Base-Backbone interact. energy: 2.192
local terms energy: -460.535847
where:
bonds (distance) C4'-P energy: -82.313
bonds (distance) P-C4' energy: -93.434
flat angles C4'-P-C4' energy: -105.512
flat angles P-C4'-P energy: -70.606
tors. eta vs tors. theta energy: -108.670
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: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -924.880262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.880262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.880262 (E_RNA)
where:
Base-Base interactions energy: -521.184
where: short stacking energy: -306.543
Base-Backbone interact. energy: 0.171
local terms energy: -403.867341
where:
bonds (distance) C4'-P energy: -81.674
bonds (distance) P-C4' energy: -85.265
flat angles C4'-P-C4' energy: -96.115
flat angles P-C4'-P energy: -57.988
tors. eta vs tors. theta energy: -82.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -820.953742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.953742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.953742 (E_RNA)
where:
Base-Base interactions energy: -432.123
where: short stacking energy: -273.951
Base-Backbone interact. energy: 0.112
local terms energy: -388.942945
where:
bonds (distance) C4'-P energy: -84.960
bonds (distance) P-C4' energy: -84.621
flat angles C4'-P-C4' energy: -90.012
flat angles P-C4'-P energy: -69.392
tors. eta vs tors. theta energy: -59.958
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: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -628.674919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.674919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.674919 (E_RNA)
where:
Base-Base interactions energy: -285.786
where: short stacking energy: -186.436
Base-Backbone interact. energy: -0.945
local terms energy: -341.944528
where:
bonds (distance) C4'-P energy: -90.178
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -80.626
flat angles P-C4'-P energy: -50.012
tors. eta vs tors. theta energy: -41.505
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: 6, replica: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -532.949466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.949466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.949466 (E_RNA)
where:
Base-Base interactions energy: -244.469
where: short stacking energy: -179.134
Base-Backbone interact. energy: 2.972
local terms energy: -291.452605
where:
bonds (distance) C4'-P energy: -78.249
bonds (distance) P-C4' energy: -90.686
flat angles C4'-P-C4' energy: -63.907
flat angles P-C4'-P energy: -43.207
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -444.901035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.901035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.901035 (E_RNA)
where:
Base-Base interactions energy: -130.080
where: short stacking energy: -121.527
Base-Backbone interact. energy: 1.026
local terms energy: -315.847424
where:
bonds (distance) C4'-P energy: -88.872
bonds (distance) P-C4' energy: -79.681
flat angles C4'-P-C4' energy: -75.176
flat angles P-C4'-P energy: -58.688
tors. eta vs tors. theta energy: -13.430
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: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -415.757279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.757279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.757279 (E_RNA)
where:
Base-Base interactions energy: -132.719
where: short stacking energy: -117.230
Base-Backbone interact. energy: -1.876
local terms energy: -281.161737
where:
bonds (distance) C4'-P energy: -86.656
bonds (distance) P-C4' energy: -78.367
flat angles C4'-P-C4' energy: -67.412
flat angles P-C4'-P energy: -50.701
tors. eta vs tors. theta energy: 1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -374.831353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.831353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.831353 (E_RNA)
where:
Base-Base interactions energy: -116.769
where: short stacking energy: -110.220
Base-Backbone interact. energy: 2.099
local terms energy: -260.161757
where:
bonds (distance) C4'-P energy: -77.539
bonds (distance) P-C4' energy: -75.588
flat angles C4'-P-C4' energy: -69.064
flat angles P-C4'-P energy: -43.646
tors. eta vs tors. theta energy: 5.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -336.127362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.127362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.127362 (E_RNA)
where:
Base-Base interactions energy: -100.400
where: short stacking energy: -95.628
Base-Backbone interact. energy: 0.970
local terms energy: -236.696960
where:
bonds (distance) C4'-P energy: -59.593
bonds (distance) P-C4' energy: -80.655
flat angles C4'-P-C4' energy: -65.993
flat angles P-C4'-P energy: -41.453
tors. eta vs tors. theta energy: 10.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1170.949829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.949829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.949829 (E_RNA)
where:
Base-Base interactions energy: -683.423
where: short stacking energy: -403.912
Base-Backbone interact. energy: 0.897
local terms energy: -488.424384
where:
bonds (distance) C4'-P energy: -97.602
bonds (distance) P-C4' energy: -96.756
flat angles C4'-P-C4' energy: -99.914
flat angles P-C4'-P energy: -69.259
tors. eta vs tors. theta energy: -124.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1112.848533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.848533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.848533 (E_RNA)
where:
Base-Base interactions energy: -640.274
where: short stacking energy: -388.503
Base-Backbone interact. energy: 1.433
local terms energy: -474.007116
where:
bonds (distance) C4'-P energy: -87.385
bonds (distance) P-C4' energy: -101.795
flat angles C4'-P-C4' energy: -96.995
flat angles P-C4'-P energy: -66.178
tors. eta vs tors. theta energy: -121.655
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: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -905.350667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.350667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.350667 (E_RNA)
where:
Base-Base interactions energy: -508.007
where: short stacking energy: -335.075
Base-Backbone interact. energy: 0.220
local terms energy: -397.563321
where:
bonds (distance) C4'-P energy: -84.017
bonds (distance) P-C4' energy: -92.085
flat angles C4'-P-C4' energy: -83.589
flat angles P-C4'-P energy: -52.925
tors. eta vs tors. theta energy: -84.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -814.472706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.472706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.472706 (E_RNA)
where:
Base-Base interactions energy: -423.343
where: short stacking energy: -270.404
Base-Backbone interact. energy: 0.077
local terms energy: -391.206777
where:
bonds (distance) C4'-P energy: -91.745
bonds (distance) P-C4' energy: -87.514
flat angles C4'-P-C4' energy: -85.717
flat angles P-C4'-P energy: -60.029
tors. eta vs tors. theta energy: -66.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -627.470298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.470298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.470298 (E_RNA)
where:
Base-Base interactions energy: -284.258
where: short stacking energy: -213.465
Base-Backbone interact. energy: -1.283
local terms energy: -341.929268
where:
bonds (distance) C4'-P energy: -90.099
bonds (distance) P-C4' energy: -89.128
flat angles C4'-P-C4' energy: -80.068
flat angles P-C4'-P energy: -47.681
tors. eta vs tors. theta energy: -34.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -560.258964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.258964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.258964 (E_RNA)
where:
Base-Base interactions energy: -257.771
where: short stacking energy: -188.106
Base-Backbone interact. energy: 0.277
local terms energy: -302.765095
where:
bonds (distance) C4'-P energy: -58.308
bonds (distance) P-C4' energy: -86.034
flat angles C4'-P-C4' energy: -75.995
flat angles P-C4'-P energy: -55.404
tors. eta vs tors. theta energy: -27.023
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: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -514.122584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.122584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.122584 (E_RNA)
where:
Base-Base interactions energy: -193.094
where: short stacking energy: -170.974
Base-Backbone interact. energy: -1.139
local terms energy: -319.888872
where:
bonds (distance) C4'-P energy: -78.948
bonds (distance) P-C4' energy: -78.848
flat angles C4'-P-C4' energy: -74.096
flat angles P-C4'-P energy: -51.488
tors. eta vs tors. theta energy: -36.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -428.201821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.201821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.201821 (E_RNA)
where:
Base-Base interactions energy: -156.029
where: short stacking energy: -138.662
Base-Backbone interact. energy: -2.392
local terms energy: -269.780125
where:
bonds (distance) C4'-P energy: -77.045
bonds (distance) P-C4' energy: -79.826
flat angles C4'-P-C4' energy: -66.527
flat angles P-C4'-P energy: -33.585
tors. eta vs tors. theta energy: -12.796
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: 1
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -413.372267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.372267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.372267 (E_RNA)
where:
Base-Base interactions energy: -160.851
where: short stacking energy: -127.872
Base-Backbone interact. energy: 0.614
local terms energy: -253.136032
where:
bonds (distance) C4'-P energy: -71.078
bonds (distance) P-C4' energy: -63.757
flat angles C4'-P-C4' energy: -65.843
flat angles P-C4'-P energy: -39.687
tors. eta vs tors. theta energy: -12.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -351.798404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.798404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.798404 (E_RNA)
where:
Base-Base interactions energy: -84.597
where: short stacking energy: -79.989
Base-Backbone interact. energy: -1.653
local terms energy: -265.548893
where:
bonds (distance) C4'-P energy: -78.912
bonds (distance) P-C4' energy: -85.294
flat angles C4'-P-C4' energy: -78.646
flat angles P-C4'-P energy: -27.976
tors. eta vs tors. theta energy: 5.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1120.208756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.208756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.208756 (E_RNA)
where:
Base-Base interactions energy: -651.460
where: short stacking energy: -394.904
Base-Backbone interact. energy: -1.770
local terms energy: -466.978719
where:
bonds (distance) C4'-P energy: -86.676
bonds (distance) P-C4' energy: -95.977
flat angles C4'-P-C4' energy: -99.324
flat angles P-C4'-P energy: -63.720
tors. eta vs tors. theta energy: -121.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1050.958408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.958408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.958408 (E_RNA)
where:
Base-Base interactions energy: -618.564
where: short stacking energy: -360.112
Base-Backbone interact. energy: -1.506
local terms energy: -430.887618
where:
bonds (distance) C4'-P energy: -85.761
bonds (distance) P-C4' energy: -99.933
flat angles C4'-P-C4' energy: -84.479
flat angles P-C4'-P energy: -64.719
tors. eta vs tors. theta energy: -95.995
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: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -943.446585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.446585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.446585 (E_RNA)
where:
Base-Base interactions energy: -528.065
where: short stacking energy: -307.438
Base-Backbone interact. energy: -1.400
local terms energy: -413.980989
where:
bonds (distance) C4'-P energy: -89.277
bonds (distance) P-C4' energy: -95.968
flat angles C4'-P-C4' energy: -92.239
flat angles P-C4'-P energy: -54.734
tors. eta vs tors. theta energy: -81.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -792.740557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.740557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.740557 (E_RNA)
where:
Base-Base interactions energy: -396.627
where: short stacking energy: -277.586
Base-Backbone interact. energy: -1.260
local terms energy: -394.854100
where:
bonds (distance) C4'-P energy: -90.055
bonds (distance) P-C4' energy: -86.705
flat angles C4'-P-C4' energy: -90.426
flat angles P-C4'-P energy: -65.447
tors. eta vs tors. theta energy: -62.221
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: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -657.565292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.565292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.565292 (E_RNA)
where:
Base-Base interactions energy: -309.848
where: short stacking energy: -216.387
Base-Backbone interact. energy: -1.392
local terms energy: -346.325793
where:
bonds (distance) C4'-P energy: -89.205
bonds (distance) P-C4' energy: -90.975
flat angles C4'-P-C4' energy: -86.164
flat angles P-C4'-P energy: -50.563
tors. eta vs tors. theta energy: -29.418
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: 3
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -558.852452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.852452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.852452 (E_RNA)
where:
Base-Base interactions energy: -243.620
where: short stacking energy: -182.293
Base-Backbone interact. energy: -0.203
local terms energy: -315.029204
where:
bonds (distance) C4'-P energy: -80.418
bonds (distance) P-C4' energy: -87.236
flat angles C4'-P-C4' energy: -82.890
flat angles P-C4'-P energy: -40.795
tors. eta vs tors. theta energy: -23.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -478.930455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.930455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.930455 (E_RNA)
where:
Base-Base interactions energy: -188.138
where: short stacking energy: -159.104
Base-Backbone interact. energy: -1.442
local terms energy: -289.349630
where:
bonds (distance) C4'-P energy: -83.646
bonds (distance) P-C4' energy: -76.076
flat angles C4'-P-C4' energy: -53.559
flat angles P-C4'-P energy: -60.300
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -397.154306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.154306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.154306 (E_RNA)
where:
Base-Base interactions energy: -133.757
where: short stacking energy: -118.385
Base-Backbone interact. energy: -3.870
local terms energy: -259.527489
where:
bonds (distance) C4'-P energy: -67.282
bonds (distance) P-C4' energy: -87.691
flat angles C4'-P-C4' energy: -66.782
flat angles P-C4'-P energy: -42.921
tors. eta vs tors. theta energy: 5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -400.500500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.500500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.500500 (E_RNA)
where:
Base-Base interactions energy: -159.623
where: short stacking energy: -116.580
Base-Backbone interact. energy: -0.940
local terms energy: -239.937473
where:
bonds (distance) C4'-P energy: -57.067
bonds (distance) P-C4' energy: -88.785
flat angles C4'-P-C4' energy: -79.948
flat angles P-C4'-P energy: -27.562
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: 10, replica: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -361.525011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.525011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.525011 (E_RNA)
where:
Base-Base interactions energy: -119.455
where: short stacking energy: -107.882
Base-Backbone interact. energy: 1.223
local terms energy: -243.292716
where:
bonds (distance) C4'-P energy: -68.289
bonds (distance) P-C4' energy: -73.487
flat angles C4'-P-C4' energy: -71.914
flat angles P-C4'-P energy: -38.865
tors. eta vs tors. theta energy: 9.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1141.982365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.982365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.982365 (E_RNA)
where:
Base-Base interactions energy: -687.715
where: short stacking energy: -395.041
Base-Backbone interact. energy: 2.589
local terms energy: -456.856347
where:
bonds (distance) C4'-P energy: -93.184
bonds (distance) P-C4' energy: -88.691
flat angles C4'-P-C4' energy: -100.797
flat angles P-C4'-P energy: -73.816
tors. eta vs tors. theta energy: -100.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1070.780590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.780590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.780590 (E_RNA)
where:
Base-Base interactions energy: -620.750
where: short stacking energy: -350.951
Base-Backbone interact. energy: -0.674
local terms energy: -449.356428
where:
bonds (distance) C4'-P energy: -99.333
bonds (distance) P-C4' energy: -100.369
flat angles C4'-P-C4' energy: -89.509
flat angles P-C4'-P energy: -60.126
tors. eta vs tors. theta energy: -100.020
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: 3, replica: 7
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -942.672738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.672738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.672738 (E_RNA)
where:
Base-Base interactions energy: -536.055
where: short stacking energy: -338.957
Base-Backbone interact. energy: -1.305
local terms energy: -405.312068
where:
bonds (distance) C4'-P energy: -91.303
bonds (distance) P-C4' energy: -84.104
flat angles C4'-P-C4' energy: -87.389
flat angles P-C4'-P energy: -57.161
tors. eta vs tors. theta energy: -85.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -781.734463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.734463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.734463 (E_RNA)
where:
Base-Base interactions energy: -391.958
where: short stacking energy: -253.160
Base-Backbone interact. energy: -0.451
local terms energy: -389.326259
where:
bonds (distance) C4'-P energy: -93.052
bonds (distance) P-C4' energy: -97.494
flat angles C4'-P-C4' energy: -91.327
flat angles P-C4'-P energy: -54.450
tors. eta vs tors. theta energy: -53.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -651.186896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.186896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.186896 (E_RNA)
where:
Base-Base interactions energy: -276.194
where: short stacking energy: -210.431
Base-Backbone interact. energy: -0.614
local terms energy: -374.379730
where:
bonds (distance) C4'-P energy: -87.366
bonds (distance) P-C4' energy: -87.695
flat angles C4'-P-C4' energy: -82.411
flat angles P-C4'-P energy: -65.634
tors. eta vs tors. theta energy: -51.274
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: 6, replica: 3
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -570.990642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.990642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.990642 (E_RNA)
where:
Base-Base interactions energy: -252.879
where: short stacking energy: -185.604
Base-Backbone interact. energy: 6.759
local terms energy: -324.871010
where:
bonds (distance) C4'-P energy: -87.255
bonds (distance) P-C4' energy: -81.322
flat angles C4'-P-C4' energy: -81.641
flat angles P-C4'-P energy: -46.121
tors. eta vs tors. theta energy: -28.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -468.758468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.758468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.758468 (E_RNA)
where:
Base-Base interactions energy: -179.454
where: short stacking energy: -160.544
Base-Backbone interact. energy: -0.866
local terms energy: -288.438819
where:
bonds (distance) C4'-P energy: -83.770
bonds (distance) P-C4' energy: -79.185
flat angles C4'-P-C4' energy: -63.762
flat angles P-C4'-P energy: -52.277
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: 8, replica: 1
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -414.423279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.423279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.423279 (E_RNA)
where:
Base-Base interactions energy: -160.762
where: short stacking energy: -111.343
Base-Backbone interact. energy: -1.400
local terms energy: -252.261915
where:
bonds (distance) C4'-P energy: -64.702
bonds (distance) P-C4' energy: -84.492
flat angles C4'-P-C4' energy: -78.990
flat angles P-C4'-P energy: -21.151
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -401.493022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.493022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.493022 (E_RNA)
where:
Base-Base interactions energy: -156.200
where: short stacking energy: -123.824
Base-Backbone interact. energy: 4.872
local terms energy: -250.164756
where:
bonds (distance) C4'-P energy: -62.710
bonds (distance) P-C4' energy: -73.931
flat angles C4'-P-C4' energy: -63.397
flat angles P-C4'-P energy: -41.459
tors. eta vs tors. theta energy: -8.667
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: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -354.638967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.638967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.638967 (E_RNA)
where:
Base-Base interactions energy: -106.566
where: short stacking energy: -89.693
Base-Backbone interact. energy: -1.832
local terms energy: -246.240496
where:
bonds (distance) C4'-P energy: -74.122
bonds (distance) P-C4' energy: -76.912
flat angles C4'-P-C4' energy: -63.061
flat angles P-C4'-P energy: -46.586
tors. eta vs tors. theta energy: 14.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1098.115723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.115723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.115723 (E_RNA)
where:
Base-Base interactions energy: -634.967
where: short stacking energy: -408.653
Base-Backbone interact. energy: 0.085
local terms energy: -463.233940
where:
bonds (distance) C4'-P energy: -91.613
bonds (distance) P-C4' energy: -93.632
flat angles C4'-P-C4' energy: -96.346
flat angles P-C4'-P energy: -63.273
tors. eta vs tors. theta energy: -118.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1101.166457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.166457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.166457 (E_RNA)
where:
Base-Base interactions energy: -660.959
where: short stacking energy: -386.955
Base-Backbone interact. energy: 1.867
local terms energy: -442.074432
where:
bonds (distance) C4'-P energy: -97.696
bonds (distance) P-C4' energy: -84.637
flat angles C4'-P-C4' energy: -89.017
flat angles P-C4'-P energy: -64.426
tors. eta vs tors. theta energy: -106.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -945.089356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.089356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.089356 (E_RNA)
where:
Base-Base interactions energy: -528.514
where: short stacking energy: -327.687
Base-Backbone interact. energy: 1.628
local terms energy: -418.202872
where:
bonds (distance) C4'-P energy: -85.502
bonds (distance) P-C4' energy: -93.672
flat angles C4'-P-C4' energy: -86.197
flat angles P-C4'-P energy: -60.665
tors. eta vs tors. theta energy: -92.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -814.300768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.300768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.300768 (E_RNA)
where:
Base-Base interactions energy: -413.894
where: short stacking energy: -258.225
Base-Backbone interact. energy: -1.276
local terms energy: -399.130258
where:
bonds (distance) C4'-P energy: -92.203
bonds (distance) P-C4' energy: -90.282
flat angles C4'-P-C4' energy: -94.390
flat angles P-C4'-P energy: -62.432
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: 9
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -623.306147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.306147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.306147 (E_RNA)
where:
Base-Base interactions energy: -279.681
where: short stacking energy: -212.203
Base-Backbone interact. energy: -0.719
local terms energy: -342.906940
where:
bonds (distance) C4'-P energy: -83.872
bonds (distance) P-C4' energy: -85.209
flat angles C4'-P-C4' energy: -75.178
flat angles P-C4'-P energy: -50.739
tors. eta vs tors. theta energy: -47.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -546.081410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.081410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.081410 (E_RNA)
where:
Base-Base interactions energy: -240.052
where: short stacking energy: -180.919
Base-Backbone interact. energy: 1.259
local terms energy: -307.288381
where:
bonds (distance) C4'-P energy: -81.648
bonds (distance) P-C4' energy: -93.985
flat angles C4'-P-C4' energy: -67.129
flat angles P-C4'-P energy: -48.497
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -478.232815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.232815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.232815 (E_RNA)
where:
Base-Base interactions energy: -173.470
where: short stacking energy: -130.080
Base-Backbone interact. energy: 1.763
local terms energy: -306.525070
where:
bonds (distance) C4'-P energy: -80.695
bonds (distance) P-C4' energy: -94.452
flat angles C4'-P-C4' energy: -79.206
flat angles P-C4'-P energy: -41.246
tors. eta vs tors. theta energy: -10.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -406.316646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.316646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.316646 (E_RNA)
where:
Base-Base interactions energy: -127.093
where: short stacking energy: -109.853
Base-Backbone interact. energy: -3.162
local terms energy: -276.060701
where:
bonds (distance) C4'-P energy: -86.227
bonds (distance) P-C4' energy: -69.864
flat angles C4'-P-C4' energy: -71.924
flat angles P-C4'-P energy: -48.561
tors. eta vs tors. theta energy: 0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -377.138614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.138614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.138614 (E_RNA)
where:
Base-Base interactions energy: -123.596
where: short stacking energy: -107.864
Base-Backbone interact. energy: -0.892
local terms energy: -252.650810
where:
bonds (distance) C4'-P energy: -89.184
bonds (distance) P-C4' energy: -83.574
flat angles C4'-P-C4' energy: -62.441
flat angles P-C4'-P energy: -34.686
tors. eta vs tors. theta energy: 17.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -348.337393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.337393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.337393 (E_RNA)
where:
Base-Base interactions energy: -111.461
where: short stacking energy: -100.813
Base-Backbone interact. energy: 4.574
local terms energy: -241.450057
where:
bonds (distance) C4'-P energy: -78.597
bonds (distance) P-C4' energy: -89.255
flat angles C4'-P-C4' energy: -72.103
flat angles P-C4'-P energy: -24.947
tors. eta vs tors. theta energy: 23.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1143.902139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.902139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.902139 (E_RNA)
where:
Base-Base interactions energy: -676.627
where: short stacking energy: -408.496
Base-Backbone interact. energy: -1.456
local terms energy: -465.818758
where:
bonds (distance) C4'-P energy: -86.112
bonds (distance) P-C4' energy: -106.503
flat angles C4'-P-C4' energy: -109.464
flat angles P-C4'-P energy: -55.439
tors. eta vs tors. theta energy: -108.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1087.052461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.052461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.052461 (E_RNA)
where:
Base-Base interactions energy: -635.839
where: short stacking energy: -355.664
Base-Backbone interact. energy: -0.621
local terms energy: -450.591926
where:
bonds (distance) C4'-P energy: -93.891
bonds (distance) P-C4' energy: -96.532
flat angles C4'-P-C4' energy: -97.290
flat angles P-C4'-P energy: -63.213
tors. eta vs tors. theta energy: -99.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -954.672690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.672690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.672690 (E_RNA)
where:
Base-Base interactions energy: -520.451
where: short stacking energy: -328.097
Base-Backbone interact. energy: -1.351
local terms energy: -432.870330
where:
bonds (distance) C4'-P energy: -75.579
bonds (distance) P-C4' energy: -103.512
flat angles C4'-P-C4' energy: -90.949
flat angles P-C4'-P energy: -62.708
tors. eta vs tors. theta energy: -100.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -784.904954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.904954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.904954 (E_RNA)
where:
Base-Base interactions energy: -401.707
where: short stacking energy: -257.104
Base-Backbone interact. energy: -0.775
local terms energy: -382.422414
where:
bonds (distance) C4'-P energy: -80.878
bonds (distance) P-C4' energy: -86.792
flat angles C4'-P-C4' energy: -89.712
flat angles P-C4'-P energy: -57.359
tors. eta vs tors. theta energy: -67.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -596.339004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.339004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.339004 (E_RNA)
where:
Base-Base interactions energy: -275.341
where: short stacking energy: -209.245
Base-Backbone interact. energy: 0.319
local terms energy: -321.317642
where:
bonds (distance) C4'-P energy: -76.871
bonds (distance) P-C4' energy: -88.161
flat angles C4'-P-C4' energy: -72.340
flat angles P-C4'-P energy: -60.555
tors. eta vs tors. theta energy: -23.391
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: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -593.594408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.594408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.594408 (E_RNA)
where:
Base-Base interactions energy: -270.012
where: short stacking energy: -193.218
Base-Backbone interact. energy: -1.443
local terms energy: -322.138861
where:
bonds (distance) C4'-P energy: -72.577
bonds (distance) P-C4' energy: -82.086
flat angles C4'-P-C4' energy: -77.143
flat angles P-C4'-P energy: -49.407
tors. eta vs tors. theta energy: -40.925
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: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -453.237533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.237533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.237533 (E_RNA)
where:
Base-Base interactions energy: -176.596
where: short stacking energy: -140.719
Base-Backbone interact. energy: 0.389
local terms energy: -277.030973
where:
bonds (distance) C4'-P energy: -80.542
bonds (distance) P-C4' energy: -83.711
flat angles C4'-P-C4' energy: -71.925
flat angles P-C4'-P energy: -41.785
tors. eta vs tors. theta energy: 0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -428.846130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.846130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.846130 (E_RNA)
where:
Base-Base interactions energy: -149.952
where: short stacking energy: -144.859
Base-Backbone interact. energy: 3.069
local terms energy: -281.962208
where:
bonds (distance) C4'-P energy: -62.457
bonds (distance) P-C4' energy: -84.980
flat angles C4'-P-C4' energy: -79.706
flat angles P-C4'-P energy: -49.443
tors. eta vs tors. theta energy: -5.376
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: 93
Temperature: 1.300000
Total energy: -373.524212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.524212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.524212 (E_RNA)
where:
Base-Base interactions energy: -106.404
where: short stacking energy: -80.141
Base-Backbone interact. energy: -1.610
local terms energy: -265.509961
where:
bonds (distance) C4'-P energy: -76.979
bonds (distance) P-C4' energy: -96.798
flat angles C4'-P-C4' energy: -70.316
flat angles P-C4'-P energy: -41.718
tors. eta vs tors. theta energy: 20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -383.664004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.664004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.664004 (E_RNA)
where:
Base-Base interactions energy: -104.082
where: short stacking energy: -96.994
Base-Backbone interact. energy: 3.130
local terms energy: -282.711315
where:
bonds (distance) C4'-P energy: -69.524
bonds (distance) P-C4' energy: -78.872
flat angles C4'-P-C4' energy: -74.269
flat angles P-C4'-P energy: -45.954
tors. eta vs tors. theta energy: -14.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1150.461499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.461499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.461499 (E_RNA)
where:
Base-Base interactions energy: -675.252
where: short stacking energy: -418.884
Base-Backbone interact. energy: 1.941
local terms energy: -477.150448
where:
bonds (distance) C4'-P energy: -87.760
bonds (distance) P-C4' energy: -91.275
flat angles C4'-P-C4' energy: -108.152
flat angles P-C4'-P energy: -66.593
tors. eta vs tors. theta energy: -123.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1032.605122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.605122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.605122 (E_RNA)
where:
Base-Base interactions energy: -595.041
where: short stacking energy: -337.133
Base-Backbone interact. energy: 1.739
local terms energy: -439.302346
where:
bonds (distance) C4'-P energy: -92.137
bonds (distance) P-C4' energy: -97.960
flat angles C4'-P-C4' energy: -87.687
flat angles P-C4'-P energy: -63.676
tors. eta vs tors. theta energy: -97.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -962.027254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.027254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.027254 (E_RNA)
where:
Base-Base interactions energy: -531.625
where: short stacking energy: -334.334
Base-Backbone interact. energy: -0.609
local terms energy: -429.792536
where:
bonds (distance) C4'-P energy: -94.035
bonds (distance) P-C4' energy: -95.383
flat angles C4'-P-C4' energy: -97.564
flat angles P-C4'-P energy: -49.617
tors. eta vs tors. theta energy: -93.194
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: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -822.855045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.855045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.855045 (E_RNA)
where:
Base-Base interactions energy: -434.342
where: short stacking energy: -272.792
Base-Backbone interact. energy: 0.327
local terms energy: -388.839695
where:
bonds (distance) C4'-P energy: -76.771
bonds (distance) P-C4' energy: -87.660
flat angles C4'-P-C4' energy: -87.471
flat angles P-C4'-P energy: -61.302
tors. eta vs tors. theta energy: -75.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -614.972941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.972941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.972941 (E_RNA)
where:
Base-Base interactions energy: -274.591
where: short stacking energy: -192.043
Base-Backbone interact. energy: -1.895
local terms energy: -338.487415
where:
bonds (distance) C4'-P energy: -84.702
bonds (distance) P-C4' energy: -86.738
flat angles C4'-P-C4' energy: -85.049
flat angles P-C4'-P energy: -52.612
tors. eta vs tors. theta energy: -29.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -570.574669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.574669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.574669 (E_RNA)
where:
Base-Base interactions energy: -239.361
where: short stacking energy: -181.694
Base-Backbone interact. energy: 0.290
local terms energy: -331.503768
where:
bonds (distance) C4'-P energy: -82.392
bonds (distance) P-C4' energy: -87.734
flat angles C4'-P-C4' energy: -81.276
flat angles P-C4'-P energy: -52.005
tors. eta vs tors. theta energy: -28.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -442.900858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.900858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.900858 (E_RNA)
where:
Base-Base interactions energy: -145.847
where: short stacking energy: -131.739
Base-Backbone interact. energy: -1.810
local terms energy: -295.243269
where:
bonds (distance) C4'-P energy: -81.914
bonds (distance) P-C4' energy: -91.282
flat angles C4'-P-C4' energy: -72.442
flat angles P-C4'-P energy: -50.797
tors. eta vs tors. theta energy: 1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -395.631027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.631027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.631027 (E_RNA)
where:
Base-Base interactions energy: -130.180
where: short stacking energy: -122.316
Base-Backbone interact. energy: -0.085
local terms energy: -265.365813
where:
bonds (distance) C4'-P energy: -80.172
bonds (distance) P-C4' energy: -83.952
flat angles C4'-P-C4' energy: -71.136
flat angles P-C4'-P energy: -32.606
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: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -392.823759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.823759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.823759 (E_RNA)
where:
Base-Base interactions energy: -143.021
where: short stacking energy: -122.748
Base-Backbone interact. energy: 2.151
local terms energy: -251.953107
where:
bonds (distance) C4'-P energy: -91.056
bonds (distance) P-C4' energy: -74.604
flat angles C4'-P-C4' energy: -59.479
flat angles P-C4'-P energy: -40.179
tors. eta vs tors. theta energy: 13.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -326.397753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.397753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.397753 (E_RNA)
where:
Base-Base interactions energy: -100.105
where: short stacking energy: -70.666
Base-Backbone interact. energy: -0.299
local terms energy: -225.994028
where:
bonds (distance) C4'-P energy: -59.555
bonds (distance) P-C4' energy: -70.538
flat angles C4'-P-C4' energy: -64.234
flat angles P-C4'-P energy: -54.002
tors. eta vs tors. theta energy: 22.335
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: 6
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1121.700678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.700678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.700678 (E_RNA)
where:
Base-Base interactions energy: -642.650
where: short stacking energy: -388.918
Base-Backbone interact. energy: -2.439
local terms energy: -476.611444
where:
bonds (distance) C4'-P energy: -92.441
bonds (distance) P-C4' energy: -90.237
flat angles C4'-P-C4' energy: -101.746
flat angles P-C4'-P energy: -74.906
tors. eta vs tors. theta energy: -117.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1042.762413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.762413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.762413 (E_RNA)
where:
Base-Base interactions energy: -594.367
where: short stacking energy: -344.457
Base-Backbone interact. energy: -0.124
local terms energy: -448.271047
where:
bonds (distance) C4'-P energy: -96.258
bonds (distance) P-C4' energy: -89.426
flat angles C4'-P-C4' energy: -103.525
flat angles P-C4'-P energy: -58.129
tors. eta vs tors. theta energy: -100.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -995.924444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.924444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.924444 (E_RNA)
where:
Base-Base interactions energy: -590.803
where: short stacking energy: -352.628
Base-Backbone interact. energy: 1.503
local terms energy: -406.624280
where:
bonds (distance) C4'-P energy: -81.344
bonds (distance) P-C4' energy: -88.257
flat angles C4'-P-C4' energy: -88.411
flat angles P-C4'-P energy: -62.053
tors. eta vs tors. theta energy: -86.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -800.141943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.141943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.141943 (E_RNA)
where:
Base-Base interactions energy: -395.100
where: short stacking energy: -260.630
Base-Backbone interact. energy: -1.344
local terms energy: -403.698131
where:
bonds (distance) C4'-P energy: -86.708
bonds (distance) P-C4' energy: -89.672
flat angles C4'-P-C4' energy: -91.240
flat angles P-C4'-P energy: -63.829
tors. eta vs tors. theta energy: -72.249
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: 5, replica: 9
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -670.708943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.708943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.708943 (E_RNA)
where:
Base-Base interactions energy: -325.267
where: short stacking energy: -205.992
Base-Backbone interact. energy: 3.077
local terms energy: -348.519547
where:
bonds (distance) C4'-P energy: -75.822
bonds (distance) P-C4' energy: -92.229
flat angles C4'-P-C4' energy: -88.038
flat angles P-C4'-P energy: -52.781
tors. eta vs tors. theta energy: -39.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -559.051337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.051337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.051337 (E_RNA)
where:
Base-Base interactions energy: -261.856
where: short stacking energy: -185.119
Base-Backbone interact. energy: 5.353
local terms energy: -302.549102
where:
bonds (distance) C4'-P energy: -82.424
bonds (distance) P-C4' energy: -71.403
flat angles C4'-P-C4' energy: -85.408
flat angles P-C4'-P energy: -45.586
tors. eta vs tors. theta energy: -17.728
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: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -463.809456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.809456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.809456 (E_RNA)
where:
Base-Base interactions energy: -171.256
where: short stacking energy: -157.996
Base-Backbone interact. energy: -0.305
local terms energy: -292.248214
where:
bonds (distance) C4'-P energy: -84.566
bonds (distance) P-C4' energy: -81.145
flat angles C4'-P-C4' energy: -76.442
flat angles P-C4'-P energy: -41.797
tors. eta vs tors. theta energy: -8.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -412.201468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.201468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.201468 (E_RNA)
where:
Base-Base interactions energy: -154.031
where: short stacking energy: -115.068
Base-Backbone interact. energy: -0.304
local terms energy: -257.866568
where:
bonds (distance) C4'-P energy: -78.900
bonds (distance) P-C4' energy: -85.699
flat angles C4'-P-C4' energy: -80.743
flat angles P-C4'-P energy: -29.863
tors. eta vs tors. theta energy: 17.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -396.513979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.513979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.513979 (E_RNA)
where:
Base-Base interactions energy: -131.295
where: short stacking energy: -95.225
Base-Backbone interact. energy: 0.789
local terms energy: -266.007543
where:
bonds (distance) C4'-P energy: -70.113
bonds (distance) P-C4' energy: -79.116
flat angles C4'-P-C4' energy: -85.404
flat angles P-C4'-P energy: -39.644
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: 10, replica: 5
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -358.390911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.390911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.390911 (E_RNA)
where:
Base-Base interactions energy: -111.429
where: short stacking energy: -107.847
Base-Backbone interact. energy: -0.744
local terms energy: -246.218106
where:
bonds (distance) C4'-P energy: -78.057
bonds (distance) P-C4' energy: -77.496
flat angles C4'-P-C4' energy: -67.139
flat angles P-C4'-P energy: -31.757
tors. eta vs tors. theta energy: 8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1139.754561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.754561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.754561 (E_RNA)
where:
Base-Base interactions energy: -641.318
where: short stacking energy: -390.654
Base-Backbone interact. energy: -2.894
local terms energy: -495.541991
where:
bonds (distance) C4'-P energy: -99.393
bonds (distance) P-C4' energy: -104.310
flat angles C4'-P-C4' energy: -107.531
flat angles P-C4'-P energy: -68.528
tors. eta vs tors. theta energy: -115.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1051.212082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.212082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.212082 (E_RNA)
where:
Base-Base interactions energy: -605.722
where: short stacking energy: -350.336
Base-Backbone interact. energy: -0.718
local terms energy: -444.771331
where:
bonds (distance) C4'-P energy: -92.267
bonds (distance) P-C4' energy: -88.591
flat angles C4'-P-C4' energy: -107.814
flat angles P-C4'-P energy: -61.582
tors. eta vs tors. theta energy: -94.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -965.687291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.687291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.687291 (E_RNA)
where:
Base-Base interactions energy: -551.991
where: short stacking energy: -334.443
Base-Backbone interact. energy: 0.855
local terms energy: -414.551029
where:
bonds (distance) C4'-P energy: -84.292
bonds (distance) P-C4' energy: -96.693
flat angles C4'-P-C4' energy: -99.078
flat angles P-C4'-P energy: -49.903
tors. eta vs tors. theta energy: -84.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -763.818698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.818698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.818698 (E_RNA)
where:
Base-Base interactions energy: -375.433
where: short stacking energy: -261.066
Base-Backbone interact. energy: 1.466
local terms energy: -389.852015
where:
bonds (distance) C4'-P energy: -81.863
bonds (distance) P-C4' energy: -91.341
flat angles C4'-P-C4' energy: -100.608
flat angles P-C4'-P energy: -59.879
tors. eta vs tors. theta energy: -56.161
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: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -630.338223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.338223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.338223 (E_RNA)
where:
Base-Base interactions energy: -265.562
where: short stacking energy: -185.956
Base-Backbone interact. energy: -1.321
local terms energy: -363.455326
where:
bonds (distance) C4'-P energy: -99.231
bonds (distance) P-C4' energy: -103.546
flat angles C4'-P-C4' energy: -79.228
flat angles P-C4'-P energy: -50.723
tors. eta vs tors. theta energy: -30.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -588.400269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.400269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.400269 (E_RNA)
where:
Base-Base interactions energy: -272.411
where: short stacking energy: -186.610
Base-Backbone interact. energy: -0.921
local terms energy: -315.068174
where:
bonds (distance) C4'-P energy: -88.185
bonds (distance) P-C4' energy: -99.328
flat angles C4'-P-C4' energy: -63.211
flat angles P-C4'-P energy: -46.496
tors. eta vs tors. theta energy: -17.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -492.579825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.579825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.579825 (E_RNA)
where:
Base-Base interactions energy: -190.772
where: short stacking energy: -180.455
Base-Backbone interact. energy: -0.245
local terms energy: -301.562156
where:
bonds (distance) C4'-P energy: -72.164
bonds (distance) P-C4' energy: -87.975
flat angles C4'-P-C4' energy: -69.282
flat angles P-C4'-P energy: -39.221
tors. eta vs tors. theta energy: -32.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -411.334042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.334042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.334042 (E_RNA)
where:
Base-Base interactions energy: -153.993
where: short stacking energy: -135.069
Base-Backbone interact. energy: 0.766
local terms energy: -258.106944
where:
bonds (distance) C4'-P energy: -64.081
bonds (distance) P-C4' energy: -71.002
flat angles C4'-P-C4' energy: -79.026
flat angles P-C4'-P energy: -26.762
tors. eta vs tors. theta energy: -17.236
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: 5
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -392.714574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.714574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.714574 (E_RNA)
where:
Base-Base interactions energy: -143.175
where: short stacking energy: -118.504
Base-Backbone interact. energy: 1.376
local terms energy: -250.914753
where:
bonds (distance) C4'-P energy: -66.450
bonds (distance) P-C4' energy: -94.080
flat angles C4'-P-C4' energy: -57.031
flat angles P-C4'-P energy: -48.203
tors. eta vs tors. theta energy: 14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -349.760623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.760623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.760623 (E_RNA)
where:
Base-Base interactions energy: -111.781
where: short stacking energy: -74.490
Base-Backbone interact. energy: -2.020
local terms energy: -235.959747
where:
bonds (distance) C4'-P energy: -80.304
bonds (distance) P-C4' energy: -71.307
flat angles C4'-P-C4' energy: -52.564
flat angles P-C4'-P energy: -48.878
tors. eta vs tors. theta energy: 17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1138.335334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.335334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.335334 (E_RNA)
where:
Base-Base interactions energy: -667.997
where: short stacking energy: -398.153
Base-Backbone interact. energy: -0.051
local terms energy: -470.287041
where:
bonds (distance) C4'-P energy: -92.220
bonds (distance) P-C4' energy: -95.449
flat angles C4'-P-C4' energy: -90.212
flat angles P-C4'-P energy: -71.869
tors. eta vs tors. theta energy: -120.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1032.195061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.195061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.195061 (E_RNA)
where:
Base-Base interactions energy: -598.372
where: short stacking energy: -326.183
Base-Backbone interact. energy: -1.566
local terms energy: -432.257395
where:
bonds (distance) C4'-P energy: -96.911
bonds (distance) P-C4' energy: -88.392
flat angles C4'-P-C4' energy: -89.015
flat angles P-C4'-P energy: -65.361
tors. eta vs tors. theta energy: -92.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -960.152366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.152366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.152366 (E_RNA)
where:
Base-Base interactions energy: -554.627
where: short stacking energy: -322.167
Base-Backbone interact. energy: -2.560
local terms energy: -402.965618
where:
bonds (distance) C4'-P energy: -75.206
bonds (distance) P-C4' energy: -96.630
flat angles C4'-P-C4' energy: -87.200
flat angles P-C4'-P energy: -62.022
tors. eta vs tors. theta energy: -81.908
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: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -779.771228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.771228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.771228 (E_RNA)
where:
Base-Base interactions energy: -399.386
where: short stacking energy: -264.329
Base-Backbone interact. energy: 0.460
local terms energy: -380.845237
where:
bonds (distance) C4'-P energy: -83.154
bonds (distance) P-C4' energy: -90.015
flat angles C4'-P-C4' energy: -88.604
flat angles P-C4'-P energy: -50.488
tors. eta vs tors. theta energy: -68.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -646.967003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.967003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.967003 (E_RNA)
where:
Base-Base interactions energy: -308.661
where: short stacking energy: -208.216
Base-Backbone interact. energy: -1.935
local terms energy: -336.371488
where:
bonds (distance) C4'-P energy: -93.758
bonds (distance) P-C4' energy: -82.987
flat angles C4'-P-C4' energy: -75.322
flat angles P-C4'-P energy: -47.286
tors. eta vs tors. theta energy: -37.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -563.452988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.452988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.452988 (E_RNA)
where:
Base-Base interactions energy: -260.680
where: short stacking energy: -187.331
Base-Backbone interact. energy: 1.744
local terms energy: -304.517359
where:
bonds (distance) C4'-P energy: -80.814
bonds (distance) P-C4' energy: -88.797
flat angles C4'-P-C4' energy: -76.755
flat angles P-C4'-P energy: -51.097
tors. eta vs tors. theta energy: -7.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -509.246431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.246431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.246431 (E_RNA)
where:
Base-Base interactions energy: -174.841
where: short stacking energy: -143.157
Base-Backbone interact. energy: -1.138
local terms energy: -333.267659
where:
bonds (distance) C4'-P energy: -95.346
bonds (distance) P-C4' energy: -85.981
flat angles C4'-P-C4' energy: -76.946
flat angles P-C4'-P energy: -63.630
tors. eta vs tors. theta energy: -11.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -425.886519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.886519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.886519 (E_RNA)
where:
Base-Base interactions energy: -169.407
where: short stacking energy: -162.035
Base-Backbone interact. energy: 1.930
local terms energy: -258.409446
where:
bonds (distance) C4'-P energy: -68.199
bonds (distance) P-C4' energy: -73.832
flat angles C4'-P-C4' energy: -68.817
flat angles P-C4'-P energy: -45.343
tors. eta vs tors. theta energy: -2.218
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: 5
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -380.989276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.989276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.989276 (E_RNA)
where:
Base-Base interactions energy: -113.085
where: short stacking energy: -109.748
Base-Backbone interact. energy: -1.750
local terms energy: -266.153977
where:
bonds (distance) C4'-P energy: -84.789
bonds (distance) P-C4' energy: -80.285
flat angles C4'-P-C4' energy: -67.576
flat angles P-C4'-P energy: -38.211
tors. eta vs tors. theta energy: 4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -368.844943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.844943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.844943 (E_RNA)
where:
Base-Base interactions energy: -116.740
where: short stacking energy: -95.764
Base-Backbone interact. energy: -0.225
local terms energy: -251.879927
where:
bonds (distance) C4'-P energy: -67.383
bonds (distance) P-C4' energy: -77.563
flat angles C4'-P-C4' energy: -68.183
flat angles P-C4'-P energy: -34.489
tors. eta vs tors. theta energy: -4.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1173.418425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.418425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.418425 (E_RNA)
where:
Base-Base interactions energy: -689.219
where: short stacking energy: -434.247
Base-Backbone interact. energy: 2.320
local terms energy: -486.519173
where:
bonds (distance) C4'-P energy: -88.464
bonds (distance) P-C4' energy: -98.982
flat angles C4'-P-C4' energy: -100.421
flat angles P-C4'-P energy: -68.942
tors. eta vs tors. theta energy: -129.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1047.334355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.334355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.334355 (E_RNA)
where:
Base-Base interactions energy: -604.788
where: short stacking energy: -360.110
Base-Backbone interact. energy: -0.427
local terms energy: -442.119130
where:
bonds (distance) C4'-P energy: -79.692
bonds (distance) P-C4' energy: -92.249
flat angles C4'-P-C4' energy: -102.817
flat angles P-C4'-P energy: -67.873
tors. eta vs tors. theta energy: -99.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -968.885533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.885533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.885533 (E_RNA)
where:
Base-Base interactions energy: -540.383
where: short stacking energy: -335.982
Base-Backbone interact. energy: -1.001
local terms energy: -427.501742
where:
bonds (distance) C4'-P energy: -83.127
bonds (distance) P-C4' energy: -91.589
flat angles C4'-P-C4' energy: -94.269
flat angles P-C4'-P energy: -60.648
tors. eta vs tors. theta energy: -97.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -741.570006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.570006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.570006 (E_RNA)
where:
Base-Base interactions energy: -384.733
where: short stacking energy: -263.493
Base-Backbone interact. energy: 0.201
local terms energy: -357.037939
where:
bonds (distance) C4'-P energy: -77.271
bonds (distance) P-C4' energy: -86.347
flat angles C4'-P-C4' energy: -68.626
flat angles P-C4'-P energy: -63.640
tors. eta vs tors. theta energy: -61.154
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: 5, replica: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -629.414124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.414124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.414124 (E_RNA)
where:
Base-Base interactions energy: -287.453
where: short stacking energy: -199.229
Base-Backbone interact. energy: -2.633
local terms energy: -339.327598
where:
bonds (distance) C4'-P energy: -79.942
bonds (distance) P-C4' energy: -98.209
flat angles C4'-P-C4' energy: -83.372
flat angles P-C4'-P energy: -52.983
tors. eta vs tors. theta energy: -24.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -557.083237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.083237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.083237 (E_RNA)
where:
Base-Base interactions energy: -258.437
where: short stacking energy: -163.675
Base-Backbone interact. energy: -0.624
local terms energy: -298.021973
where:
bonds (distance) C4'-P energy: -79.909
bonds (distance) P-C4' energy: -72.637
flat angles C4'-P-C4' energy: -74.981
flat angles P-C4'-P energy: -50.676
tors. eta vs tors. theta energy: -19.819
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: 7, replica: 1
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -461.026150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.026150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.026150 (E_RNA)
where:
Base-Base interactions energy: -179.394
where: short stacking energy: -133.238
Base-Backbone interact. energy: 0.522
local terms energy: -282.154578
where:
bonds (distance) C4'-P energy: -75.480
bonds (distance) P-C4' energy: -79.262
flat angles C4'-P-C4' energy: -72.268
flat angles P-C4'-P energy: -54.441
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: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -419.826664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.826664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.826664 (E_RNA)
where:
Base-Base interactions energy: -125.172
where: short stacking energy: -116.651
Base-Backbone interact. energy: -1.357
local terms energy: -293.297698
where:
bonds (distance) C4'-P energy: -73.243
bonds (distance) P-C4' energy: -97.190
flat angles C4'-P-C4' energy: -68.804
flat angles P-C4'-P energy: -60.637
tors. eta vs tors. theta energy: 6.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -362.991890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.991890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.991890 (E_RNA)
where:
Base-Base interactions energy: -110.034
where: short stacking energy: -99.059
Base-Backbone interact. energy: 3.525
local terms energy: -256.483597
where:
bonds (distance) C4'-P energy: -76.008
bonds (distance) P-C4' energy: -75.542
flat angles C4'-P-C4' energy: -79.079
flat angles P-C4'-P energy: -37.096
tors. eta vs tors. theta energy: 11.242
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: 98
Temperature: 1.350000
Total energy: -359.814571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.814571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.814571 (E_RNA)
where:
Base-Base interactions energy: -114.223
where: short stacking energy: -107.418
Base-Backbone interact. energy: 1.345
local terms energy: -246.936618
where:
bonds (distance) C4'-P energy: -64.268
bonds (distance) P-C4' energy: -77.221
flat angles C4'-P-C4' energy: -71.745
flat angles P-C4'-P energy: -34.896
tors. eta vs tors. theta energy: 1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1154.162700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.162700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.162700 (E_RNA)
where:
Base-Base interactions energy: -663.511
where: short stacking energy: -396.752
Base-Backbone interact. energy: -0.661
local terms energy: -489.990694
where:
bonds (distance) C4'-P energy: -99.122
bonds (distance) P-C4' energy: -98.084
flat angles C4'-P-C4' energy: -105.052
flat angles P-C4'-P energy: -65.557
tors. eta vs tors. theta energy: -122.175
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: 99
Temperature: 0.950000
Total energy: -1018.561080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.561080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.561080 (E_RNA)
where:
Base-Base interactions energy: -593.036
where: short stacking energy: -343.468
Base-Backbone interact. energy: -1.765
local terms energy: -423.760759
where:
bonds (distance) C4'-P energy: -90.447
bonds (distance) P-C4' energy: -96.740
flat angles C4'-P-C4' energy: -92.978
flat angles P-C4'-P energy: -57.565
tors. eta vs tors. theta energy: -86.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -948.263773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.263773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.263773 (E_RNA)
where:
Base-Base interactions energy: -510.881
where: short stacking energy: -325.103
Base-Backbone interact. energy: -1.292
local terms energy: -436.090648
where:
bonds (distance) C4'-P energy: -90.814
bonds (distance) P-C4' energy: -90.203
flat angles C4'-P-C4' energy: -98.098
flat angles P-C4'-P energy: -67.562
tors. eta vs tors. theta energy: -89.413
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: 4, replica: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -746.210032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.210032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.210032 (E_RNA)
where:
Base-Base interactions energy: -375.678
where: short stacking energy: -261.444
Base-Backbone interact. energy: -0.427
local terms energy: -370.105029
where:
bonds (distance) C4'-P energy: -82.874
bonds (distance) P-C4' energy: -93.483
flat angles C4'-P-C4' energy: -91.469
flat angles P-C4'-P energy: -45.416
tors. eta vs tors. theta energy: -56.864
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: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -615.567750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.567750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.567750 (E_RNA)
where:
Base-Base interactions energy: -270.098
where: short stacking energy: -201.782
Base-Backbone interact. energy: -0.571
local terms energy: -344.898907
where:
bonds (distance) C4'-P energy: -83.165
bonds (distance) P-C4' energy: -87.485
flat angles C4'-P-C4' energy: -90.867
flat angles P-C4'-P energy: -61.921
tors. eta vs tors. theta energy: -21.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -571.068691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.068691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.068691 (E_RNA)
where:
Base-Base interactions energy: -249.712
where: short stacking energy: -183.841
Base-Backbone interact. energy: 2.073
local terms energy: -323.429452
where:
bonds (distance) C4'-P energy: -88.640
bonds (distance) P-C4' energy: -86.576
flat angles C4'-P-C4' energy: -78.855
flat angles P-C4'-P energy: -42.838
tors. eta vs tors. theta energy: -26.520
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: 1
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -522.959059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.959059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.959059 (E_RNA)
where:
Base-Base interactions energy: -202.079
where: short stacking energy: -160.686
Base-Backbone interact. energy: 3.711
local terms energy: -324.590819
where:
bonds (distance) C4'-P energy: -92.201
bonds (distance) P-C4' energy: -84.208
flat angles C4'-P-C4' energy: -75.171
flat angles P-C4'-P energy: -56.687
tors. eta vs tors. theta energy: -16.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -414.016340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.016340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.016340 (E_RNA)
where:
Base-Base interactions energy: -132.767
where: short stacking energy: -124.462
Base-Backbone interact. energy: -0.980
local terms energy: -280.268744
where:
bonds (distance) C4'-P energy: -83.810
bonds (distance) P-C4' energy: -86.904
flat angles C4'-P-C4' energy: -70.290
flat angles P-C4'-P energy: -40.083
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -382.025555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.025555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.025555 (E_RNA)
where:
Base-Base interactions energy: -134.418
where: short stacking energy: -116.629
Base-Backbone interact. energy: 2.395
local terms energy: -250.003041
where:
bonds (distance) C4'-P energy: -82.827
bonds (distance) P-C4' energy: -66.454
flat angles C4'-P-C4' energy: -67.903
flat angles P-C4'-P energy: -47.681
tors. eta vs tors. theta energy: 14.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -392.845621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.845621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.845621 (E_RNA)
where:
Base-Base interactions energy: -113.181
where: short stacking energy: -98.793
Base-Backbone interact. energy: -1.731
local terms energy: -277.934018
where:
bonds (distance) C4'-P energy: -80.564
bonds (distance) P-C4' energy: -85.006
flat angles C4'-P-C4' energy: -77.766
flat angles P-C4'-P energy: -42.936
tors. eta vs tors. theta energy: 8.337
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: 6
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1186.150075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.150075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.150075 (E_RNA)
where:
Base-Base interactions energy: -692.673
where: short stacking energy: -418.192
Base-Backbone interact. energy: -0.866
local terms energy: -492.610723
where:
bonds (distance) C4'-P energy: -89.304
bonds (distance) P-C4' energy: -94.962
flat angles C4'-P-C4' energy: -115.034
flat angles P-C4'-P energy: -71.812
tors. eta vs tors. theta energy: -121.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1083.232677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.232677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.232677 (E_RNA)
where:
Base-Base interactions energy: -650.711
where: short stacking energy: -396.626
Base-Backbone interact. energy: -1.166
local terms energy: -431.355602
where:
bonds (distance) C4'-P energy: -79.827
bonds (distance) P-C4' energy: -87.601
flat angles C4'-P-C4' energy: -97.365
flat angles P-C4'-P energy: -52.664
tors. eta vs tors. theta energy: -113.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -962.108448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.108448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.108448 (E_RNA)
where:
Base-Base interactions energy: -539.430
where: short stacking energy: -329.895
Base-Backbone interact. energy: -1.519
local terms energy: -421.159876
where:
bonds (distance) C4'-P energy: -92.629
bonds (distance) P-C4' energy: -88.658
flat angles C4'-P-C4' energy: -88.196
flat angles P-C4'-P energy: -55.628
tors. eta vs tors. theta energy: -96.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -730.693191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.693191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.693191 (E_RNA)
where:
Base-Base interactions energy: -375.053
where: short stacking energy: -262.926
Base-Backbone interact. energy: 3.088
local terms energy: -358.728553
where:
bonds (distance) C4'-P energy: -86.639
bonds (distance) P-C4' energy: -85.952
flat angles C4'-P-C4' energy: -69.409
flat angles P-C4'-P energy: -56.021
tors. eta vs tors. theta energy: -60.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -629.859729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.859729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.859729 (E_RNA)
where:
Base-Base interactions energy: -289.346
where: short stacking energy: -201.887
Base-Backbone interact. energy: 1.910
local terms energy: -342.423890
where:
bonds (distance) C4'-P energy: -79.201
bonds (distance) P-C4' energy: -95.208
flat angles C4'-P-C4' energy: -88.038
flat angles P-C4'-P energy: -45.293
tors. eta vs tors. theta energy: -34.685
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: 100
Temperature: 1.150000
Total energy: -574.468494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.468494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.468494 (E_RNA)
where:
Base-Base interactions energy: -252.300
where: short stacking energy: -174.255
Base-Backbone interact. energy: 5.469
local terms energy: -327.637387
where:
bonds (distance) C4'-P energy: -84.937
bonds (distance) P-C4' energy: -92.755
flat angles C4'-P-C4' energy: -84.749
flat angles P-C4'-P energy: -39.981
tors. eta vs tors. theta energy: -25.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -533.588607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.588607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.588607 (E_RNA)
where:
Base-Base interactions energy: -218.576
where: short stacking energy: -165.361
Base-Backbone interact. energy: 1.587
local terms energy: -316.599656
where:
bonds (distance) C4'-P energy: -76.745
bonds (distance) P-C4' energy: -82.831
flat angles C4'-P-C4' energy: -76.238
flat angles P-C4'-P energy: -55.722
tors. eta vs tors. theta energy: -25.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -405.786828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.786828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.786828 (E_RNA)
where:
Base-Base interactions energy: -132.003
where: short stacking energy: -96.513
Base-Backbone interact. energy: 0.321
local terms energy: -274.104444
where:
bonds (distance) C4'-P energy: -94.977
bonds (distance) P-C4' energy: -78.582
flat angles C4'-P-C4' energy: -76.133
flat angles P-C4'-P energy: -33.981
tors. eta vs tors. theta energy: 9.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -379.953086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.953086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.953086 (E_RNA)
where:
Base-Base interactions energy: -150.824
where: short stacking energy: -133.129
Base-Backbone interact. energy: 1.343
local terms energy: -230.471633
where:
bonds (distance) C4'-P energy: -72.395
bonds (distance) P-C4' energy: -72.251
flat angles C4'-P-C4' energy: -69.145
flat angles P-C4'-P energy: -25.999
tors. eta vs tors. theta energy: 9.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -360.696816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.696816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.696816 (E_RNA)
where:
Base-Base interactions energy: -138.652
where: short stacking energy: -128.451
Base-Backbone interact. energy: -0.050
local terms energy: -221.994731
where:
bonds (distance) C4'-P energy: -61.264
bonds (distance) P-C4' energy: -75.639
flat angles C4'-P-C4' energy: -52.092
flat angles P-C4'-P energy: -27.820
tors. eta vs tors. theta energy: -5.180
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: 6
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1205.731464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.731464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.731464 (E_RNA)
where:
Base-Base interactions energy: -718.511
where: short stacking energy: -431.447
Base-Backbone interact. energy: 1.253
local terms energy: -488.474204
where:
bonds (distance) C4'-P energy: -94.685
bonds (distance) P-C4' energy: -96.685
flat angles C4'-P-C4' energy: -97.845
flat angles P-C4'-P energy: -70.737
tors. eta vs tors. theta energy: -128.521
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: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1061.313916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.313916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.313916 (E_RNA)
where:
Base-Base interactions energy: -601.155
where: short stacking energy: -381.862
Base-Backbone interact. energy: 0.371
local terms energy: -460.529609
where:
bonds (distance) C4'-P energy: -97.062
bonds (distance) P-C4' energy: -87.286
flat angles C4'-P-C4' energy: -94.017
flat angles P-C4'-P energy: -68.506
tors. eta vs tors. theta energy: -113.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -959.846987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.846987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.846987 (E_RNA)
where:
Base-Base interactions energy: -510.608
where: short stacking energy: -321.541
Base-Backbone interact. energy: -1.545
local terms energy: -447.694079
where:
bonds (distance) C4'-P energy: -104.272
bonds (distance) P-C4' energy: -90.971
flat angles C4'-P-C4' energy: -112.049
flat angles P-C4'-P energy: -63.130
tors. eta vs tors. theta energy: -77.272
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: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -769.247787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.247787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.247787 (E_RNA)
where:
Base-Base interactions energy: -378.410
where: short stacking energy: -258.040
Base-Backbone interact. energy: -0.867
local terms energy: -389.970452
where:
bonds (distance) C4'-P energy: -71.089
bonds (distance) P-C4' energy: -89.731
flat angles C4'-P-C4' energy: -97.494
flat angles P-C4'-P energy: -54.206
tors. eta vs tors. theta energy: -77.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -601.385095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.385095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.385095 (E_RNA)
where:
Base-Base interactions energy: -272.832
where: short stacking energy: -202.772
Base-Backbone interact. energy: -0.394
local terms energy: -328.159102
where:
bonds (distance) C4'-P energy: -81.524
bonds (distance) P-C4' energy: -78.498
flat angles C4'-P-C4' energy: -94.355
flat angles P-C4'-P energy: -46.800
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -570.810672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.810672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.810672 (E_RNA)
where:
Base-Base interactions energy: -256.673
where: short stacking energy: -176.753
Base-Backbone interact. energy: -1.926
local terms energy: -312.212007
where:
bonds (distance) C4'-P energy: -84.349
bonds (distance) P-C4' energy: -78.283
flat angles C4'-P-C4' energy: -79.540
flat angles P-C4'-P energy: -43.693
tors. eta vs tors. theta energy: -26.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -500.318980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.318980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.318980 (E_RNA)
where:
Base-Base interactions energy: -208.236
where: short stacking energy: -152.467
Base-Backbone interact. energy: 0.672
local terms energy: -292.754871
where:
bonds (distance) C4'-P energy: -85.998
bonds (distance) P-C4' energy: -90.817
flat angles C4'-P-C4' energy: -62.460
flat angles P-C4'-P energy: -45.889
tors. eta vs tors. theta energy: -7.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -410.826184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.826184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.826184 (E_RNA)
where:
Base-Base interactions energy: -162.844
where: short stacking energy: -119.471
Base-Backbone interact. energy: 1.384
local terms energy: -249.366266
where:
bonds (distance) C4'-P energy: -83.249
bonds (distance) P-C4' energy: -79.639
flat angles C4'-P-C4' energy: -59.636
flat angles P-C4'-P energy: -37.861
tors. eta vs tors. theta energy: 11.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -370.979189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.979189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.979189 (E_RNA)
where:
Base-Base interactions energy: -113.422
where: short stacking energy: -110.831
Base-Backbone interact. energy: 1.168
local terms energy: -258.725360
where:
bonds (distance) C4'-P energy: -81.929
bonds (distance) P-C4' energy: -72.715
flat angles C4'-P-C4' energy: -71.557
flat angles P-C4'-P energy: -36.527
tors. eta vs tors. theta energy: 4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -414.523944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.523944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.523944 (E_RNA)
where:
Base-Base interactions energy: -131.443
where: short stacking energy: -117.104
Base-Backbone interact. energy: -0.537
local terms energy: -282.544848
where:
bonds (distance) C4'-P energy: -75.522
bonds (distance) P-C4' energy: -98.582
flat angles C4'-P-C4' energy: -53.465
flat angles P-C4'-P energy: -52.031
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1220.730400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.730400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.730400 (E_RNA)
where:
Base-Base interactions energy: -719.478
where: short stacking energy: -425.515
Base-Backbone interact. energy: -0.627
local terms energy: -500.625592
where:
bonds (distance) C4'-P energy: -102.254
bonds (distance) P-C4' energy: -91.844
flat angles C4'-P-C4' energy: -105.025
flat angles P-C4'-P energy: -72.681
tors. eta vs tors. theta energy: -128.821
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: 102
Temperature: 0.950000
Total energy: -1071.456702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.456702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.456702 (E_RNA)
where:
Base-Base interactions energy: -631.850
where: short stacking energy: -377.429
Base-Backbone interact. energy: -0.160
local terms energy: -439.447032
where:
bonds (distance) C4'-P energy: -78.638
bonds (distance) P-C4' energy: -98.606
flat angles C4'-P-C4' energy: -92.240
flat angles P-C4'-P energy: -63.435
tors. eta vs tors. theta energy: -106.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -904.472351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.472351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.472351 (E_RNA)
where:
Base-Base interactions energy: -499.248
where: short stacking energy: -299.635
Base-Backbone interact. energy: -1.865
local terms energy: -403.358983
where:
bonds (distance) C4'-P energy: -82.606
bonds (distance) P-C4' energy: -95.944
flat angles C4'-P-C4' energy: -93.722
flat angles P-C4'-P energy: -58.399
tors. eta vs tors. theta energy: -72.687
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: 4, replica: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -731.469174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.469174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.469174 (E_RNA)
where:
Base-Base interactions energy: -366.623
where: short stacking energy: -242.632
Base-Backbone interact. energy: 2.539
local terms energy: -367.385236
where:
bonds (distance) C4'-P energy: -82.528
bonds (distance) P-C4' energy: -88.917
flat angles C4'-P-C4' energy: -95.367
flat angles P-C4'-P energy: -63.679
tors. eta vs tors. theta energy: -36.894
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: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -628.129383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.129383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.129383 (E_RNA)
where:
Base-Base interactions energy: -303.546
where: short stacking energy: -211.251
Base-Backbone interact. energy: 1.690
local terms energy: -326.273208
where:
bonds (distance) C4'-P energy: -73.567
bonds (distance) P-C4' energy: -90.041
flat angles C4'-P-C4' energy: -82.738
flat angles P-C4'-P energy: -52.263
tors. eta vs tors. theta energy: -27.664
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: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -557.583188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.583188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.583188 (E_RNA)
where:
Base-Base interactions energy: -223.039
where: short stacking energy: -169.343
Base-Backbone interact. energy: -0.531
local terms energy: -334.013509
where:
bonds (distance) C4'-P energy: -80.661
bonds (distance) P-C4' energy: -88.505
flat angles C4'-P-C4' energy: -94.034
flat angles P-C4'-P energy: -54.634
tors. eta vs tors. theta energy: -16.179
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: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -471.270520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.270520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.270520 (E_RNA)
where:
Base-Base interactions energy: -192.666
where: short stacking energy: -138.208
Base-Backbone interact. energy: -0.798
local terms energy: -277.806047
where:
bonds (distance) C4'-P energy: -86.717
bonds (distance) P-C4' energy: -88.671
flat angles C4'-P-C4' energy: -69.472
flat angles P-C4'-P energy: -38.845
tors. eta vs tors. theta energy: 5.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -406.235323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.235323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.235323 (E_RNA)
where:
Base-Base interactions energy: -161.032
where: short stacking energy: -139.602
Base-Backbone interact. energy: -0.398
local terms energy: -244.804651
where:
bonds (distance) C4'-P energy: -67.312
bonds (distance) P-C4' energy: -76.227
flat angles C4'-P-C4' energy: -56.258
flat angles P-C4'-P energy: -45.253
tors. eta vs tors. theta energy: 0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -401.822245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.822245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.822245 (E_RNA)
where:
Base-Base interactions energy: -135.457
where: short stacking energy: -124.229
Base-Backbone interact. energy: -0.632
local terms energy: -265.734023
where:
bonds (distance) C4'-P energy: -74.399
bonds (distance) P-C4' energy: -84.391
flat angles C4'-P-C4' energy: -75.969
flat angles P-C4'-P energy: -25.653
tors. eta vs tors. theta energy: -5.322
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: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -380.288330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.288330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.288330 (E_RNA)
where:
Base-Base interactions energy: -152.054
where: short stacking energy: -135.649
Base-Backbone interact. energy: -0.531
local terms energy: -227.702711
where:
bonds (distance) C4'-P energy: -55.514
bonds (distance) P-C4' energy: -72.317
flat angles C4'-P-C4' energy: -64.947
flat angles P-C4'-P energy: -30.420
tors. eta vs tors. theta energy: -4.505
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: 6
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1234.943757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.943757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.943757 (E_RNA)
where:
Base-Base interactions energy: -758.838
where: short stacking energy: -447.090
Base-Backbone interact. energy: -0.602
local terms energy: -475.503244
where:
bonds (distance) C4'-P energy: -77.287
bonds (distance) P-C4' energy: -89.939
flat angles C4'-P-C4' energy: -113.736
flat angles P-C4'-P energy: -68.687
tors. eta vs tors. theta energy: -125.855
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: 103
Temperature: 0.950000
Total energy: -1046.844753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.844753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.844753 (E_RNA)
where:
Base-Base interactions energy: -603.256
where: short stacking energy: -375.635
Base-Backbone interact. energy: -1.858
local terms energy: -441.731163
where:
bonds (distance) C4'-P energy: -84.744
bonds (distance) P-C4' energy: -98.671
flat angles C4'-P-C4' energy: -100.244
flat angles P-C4'-P energy: -56.588
tors. eta vs tors. theta energy: -101.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -924.801554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.801554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.801554 (E_RNA)
where:
Base-Base interactions energy: -490.215
where: short stacking energy: -305.006
Base-Backbone interact. energy: -0.887
local terms energy: -433.699558
where:
bonds (distance) C4'-P energy: -88.108
bonds (distance) P-C4' energy: -94.273
flat angles C4'-P-C4' energy: -97.203
flat angles P-C4'-P energy: -56.852
tors. eta vs tors. theta energy: -97.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -750.036575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.036575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.036575 (E_RNA)
where:
Base-Base interactions energy: -382.393
where: short stacking energy: -264.336
Base-Backbone interact. energy: 4.677
local terms energy: -372.320821
where:
bonds (distance) C4'-P energy: -86.323
bonds (distance) P-C4' energy: -96.868
flat angles C4'-P-C4' energy: -80.678
flat angles P-C4'-P energy: -53.314
tors. eta vs tors. theta energy: -55.138
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: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -624.814332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.814332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.814332 (E_RNA)
where:
Base-Base interactions energy: -290.925
where: short stacking energy: -221.059
Base-Backbone interact. energy: -1.211
local terms energy: -332.678529
where:
bonds (distance) C4'-P energy: -88.637
bonds (distance) P-C4' energy: -74.534
flat angles C4'-P-C4' energy: -90.606
flat angles P-C4'-P energy: -47.212
tors. eta vs tors. theta energy: -31.690
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: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -477.576386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.576386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.576386 (E_RNA)
where:
Base-Base interactions energy: -184.250
where: short stacking energy: -140.624
Base-Backbone interact. energy: 0.227
local terms energy: -293.552670
where:
bonds (distance) C4'-P energy: -78.261
bonds (distance) P-C4' energy: -83.502
flat angles C4'-P-C4' energy: -74.977
flat angles P-C4'-P energy: -62.625
tors. eta vs tors. theta energy: 5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -532.704921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.704921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.704921 (E_RNA)
where:
Base-Base interactions energy: -245.117
where: short stacking energy: -165.434
Base-Backbone interact. energy: -2.331
local terms energy: -285.257216
where:
bonds (distance) C4'-P energy: -70.758
bonds (distance) P-C4' energy: -81.495
flat angles C4'-P-C4' energy: -79.622
flat angles P-C4'-P energy: -33.618
tors. eta vs tors. theta energy: -19.764
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: 8, replica: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -429.777277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.777277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.777277 (E_RNA)
where:
Base-Base interactions energy: -131.180
where: short stacking energy: -123.719
Base-Backbone interact. energy: -0.536
local terms energy: -298.060976
where:
bonds (distance) C4'-P energy: -75.085
bonds (distance) P-C4' energy: -85.956
flat angles C4'-P-C4' energy: -62.055
flat angles P-C4'-P energy: -54.101
tors. eta vs tors. theta energy: -20.863
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: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -374.647003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.647003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.647003 (E_RNA)
where:
Base-Base interactions energy: -118.972
where: short stacking energy: -93.368
Base-Backbone interact. energy: -0.567
local terms energy: -255.107474
where:
bonds (distance) C4'-P energy: -81.181
bonds (distance) P-C4' energy: -85.420
flat angles C4'-P-C4' energy: -66.876
flat angles P-C4'-P energy: -33.309
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: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -379.719803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.719803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.719803 (E_RNA)
where:
Base-Base interactions energy: -120.939
where: short stacking energy: -120.086
Base-Backbone interact. energy: 2.109
local terms energy: -260.889650
where:
bonds (distance) C4'-P energy: -73.695
bonds (distance) P-C4' energy: -84.408
flat angles C4'-P-C4' energy: -55.576
flat angles P-C4'-P energy: -31.283
tors. eta vs tors. theta energy: -15.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1236.350012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.350012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.350012 (E_RNA)
where:
Base-Base interactions energy: -742.518
where: short stacking energy: -446.318
Base-Backbone interact. energy: -0.750
local terms energy: -493.082233
where:
bonds (distance) C4'-P energy: -103.187
bonds (distance) P-C4' energy: -97.128
flat angles C4'-P-C4' energy: -100.084
flat angles P-C4'-P energy: -65.238
tors. eta vs tors. theta energy: -127.445
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: 104
Temperature: 0.950000
Total energy: -1049.725692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.725692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.725692 (E_RNA)
where:
Base-Base interactions energy: -613.178
where: short stacking energy: -378.415
Base-Backbone interact. energy: -0.891
local terms energy: -435.657503
where:
bonds (distance) C4'-P energy: -84.776
bonds (distance) P-C4' energy: -98.820
flat angles C4'-P-C4' energy: -92.122
flat angles P-C4'-P energy: -46.468
tors. eta vs tors. theta energy: -113.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -936.327108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.327108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.327108 (E_RNA)
where:
Base-Base interactions energy: -520.402
where: short stacking energy: -311.577
Base-Backbone interact. energy: -2.583
local terms energy: -413.342470
where:
bonds (distance) C4'-P energy: -90.033
bonds (distance) P-C4' energy: -95.257
flat angles C4'-P-C4' energy: -93.359
flat angles P-C4'-P energy: -55.611
tors. eta vs tors. theta energy: -79.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -750.730057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.730057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.730057 (E_RNA)
where:
Base-Base interactions energy: -357.550
where: short stacking energy: -255.120
Base-Backbone interact. energy: -0.782
local terms energy: -392.397337
where:
bonds (distance) C4'-P energy: -80.176
bonds (distance) P-C4' energy: -85.220
flat angles C4'-P-C4' energy: -95.402
flat angles P-C4'-P energy: -52.826
tors. eta vs tors. theta energy: -78.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -610.654695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.654695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.654695 (E_RNA)
where:
Base-Base interactions energy: -287.941
where: short stacking energy: -194.032
Base-Backbone interact. energy: -1.061
local terms energy: -321.652898
where:
bonds (distance) C4'-P energy: -72.211
bonds (distance) P-C4' energy: -84.716
flat angles C4'-P-C4' energy: -75.893
flat angles P-C4'-P energy: -62.135
tors. eta vs tors. theta energy: -26.697
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: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -495.446148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.446148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.446148 (E_RNA)
where:
Base-Base interactions energy: -216.525
where: short stacking energy: -167.895
Base-Backbone interact. energy: -0.769
local terms energy: -278.152135
where:
bonds (distance) C4'-P energy: -70.199
bonds (distance) P-C4' energy: -85.752
flat angles C4'-P-C4' energy: -72.221
flat angles P-C4'-P energy: -47.079
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -557.664001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.664001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.664001 (E_RNA)
where:
Base-Base interactions energy: -259.397
where: short stacking energy: -163.271
Base-Backbone interact. energy: -0.181
local terms energy: -298.086950
where:
bonds (distance) C4'-P energy: -85.896
bonds (distance) P-C4' energy: -87.292
flat angles C4'-P-C4' energy: -65.511
flat angles P-C4'-P energy: -56.163
tors. eta vs tors. theta energy: -3.225
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: 104
Temperature: 1.250000
Total energy: -412.298600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.298600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.298600 (E_RNA)
where:
Base-Base interactions energy: -151.039
where: short stacking energy: -126.053
Base-Backbone interact. energy: 0.514
local terms energy: -261.773922
where:
bonds (distance) C4'-P energy: -76.738
bonds (distance) P-C4' energy: -84.655
flat angles C4'-P-C4' energy: -75.932
flat angles P-C4'-P energy: -45.231
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: 9, replica: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -374.694122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.694122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.694122 (E_RNA)
where:
Base-Base interactions energy: -135.092
where: short stacking energy: -109.101
Base-Backbone interact. energy: -0.174
local terms energy: -239.428252
where:
bonds (distance) C4'-P energy: -75.635
bonds (distance) P-C4' energy: -79.253
flat angles C4'-P-C4' energy: -58.492
flat angles P-C4'-P energy: -43.428
tors. eta vs tors. theta energy: 17.379
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: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -356.712725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.712725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.712725 (E_RNA)
where:
Base-Base interactions energy: -124.420
where: short stacking energy: -117.002
Base-Backbone interact. energy: -0.118
local terms energy: -232.174933
where:
bonds (distance) C4'-P energy: -56.690
bonds (distance) P-C4' energy: -77.222
flat angles C4'-P-C4' energy: -69.047
flat angles P-C4'-P energy: -29.839
tors. eta vs tors. theta energy: 0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1254.121996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.121996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.121996 (E_RNA)
where:
Base-Base interactions energy: -769.947
where: short stacking energy: -467.538
Base-Backbone interact. energy: 0.659
local terms energy: -484.833580
where:
bonds (distance) C4'-P energy: -87.696
bonds (distance) P-C4' energy: -98.758
flat angles C4'-P-C4' energy: -97.969
flat angles P-C4'-P energy: -62.598
tors. eta vs tors. theta energy: -137.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1061.794905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.794905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.794905 (E_RNA)
where:
Base-Base interactions energy: -604.522
where: short stacking energy: -374.020
Base-Backbone interact. energy: 1.278
local terms energy: -458.550568
where:
bonds (distance) C4'-P energy: -99.870
bonds (distance) P-C4' energy: -98.883
flat angles C4'-P-C4' energy: -97.149
flat angles P-C4'-P energy: -56.088
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: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -921.923602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.923602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.923602 (E_RNA)
where:
Base-Base interactions energy: -513.283
where: short stacking energy: -313.718
Base-Backbone interact. energy: 3.554
local terms energy: -412.194020
where:
bonds (distance) C4'-P energy: -76.767
bonds (distance) P-C4' energy: -89.330
flat angles C4'-P-C4' energy: -92.702
flat angles P-C4'-P energy: -63.525
tors. eta vs tors. theta energy: -89.870
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: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -761.743432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.743432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.743432 (E_RNA)
where:
Base-Base interactions energy: -358.916
where: short stacking energy: -233.221
Base-Backbone interact. energy: -0.597
local terms energy: -402.230409
where:
bonds (distance) C4'-P energy: -85.853
bonds (distance) P-C4' energy: -92.762
flat angles C4'-P-C4' energy: -94.378
flat angles P-C4'-P energy: -74.188
tors. eta vs tors. theta energy: -55.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -624.001999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.001999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.001999 (E_RNA)
where:
Base-Base interactions energy: -278.019
where: short stacking energy: -212.511
Base-Backbone interact. energy: -1.205
local terms energy: -344.777608
where:
bonds (distance) C4'-P energy: -85.677
bonds (distance) P-C4' energy: -78.620
flat angles C4'-P-C4' energy: -82.561
flat angles P-C4'-P energy: -60.052
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: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -597.294837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.294837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.294837 (E_RNA)
where:
Base-Base interactions energy: -281.047
where: short stacking energy: -190.376
Base-Backbone interact. energy: 4.565
local terms energy: -320.813455
where:
bonds (distance) C4'-P energy: -95.526
bonds (distance) P-C4' energy: -75.133
flat angles C4'-P-C4' energy: -74.121
flat angles P-C4'-P energy: -45.205
tors. eta vs tors. theta energy: -30.829
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: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -438.170859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.170859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.170859 (E_RNA)
where:
Base-Base interactions energy: -157.177
where: short stacking energy: -135.599
Base-Backbone interact. energy: 4.974
local terms energy: -285.967293
where:
bonds (distance) C4'-P energy: -86.680
bonds (distance) P-C4' energy: -83.465
flat angles C4'-P-C4' energy: -74.428
flat angles P-C4'-P energy: -51.419
tors. eta vs tors. theta energy: 10.024
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: 5
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -413.125536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.125536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.125536 (E_RNA)
where:
Base-Base interactions energy: -146.912
where: short stacking energy: -112.140
Base-Backbone interact. energy: 0.215
local terms energy: -266.428676
where:
bonds (distance) C4'-P energy: -72.599
bonds (distance) P-C4' energy: -75.098
flat angles C4'-P-C4' energy: -73.418
flat angles P-C4'-P energy: -39.584
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -397.368146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.368146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.368146 (E_RNA)
where:
Base-Base interactions energy: -130.617
where: short stacking energy: -93.535
Base-Backbone interact. energy: 0.638
local terms energy: -267.388719
where:
bonds (distance) C4'-P energy: -73.862
bonds (distance) P-C4' energy: -82.499
flat angles C4'-P-C4' energy: -80.997
flat angles P-C4'-P energy: -39.759
tors. eta vs tors. theta energy: 9.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -345.149402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.149402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.149402 (E_RNA)
where:
Base-Base interactions energy: -105.512
where: short stacking energy: -99.018
Base-Backbone interact. energy: -0.167
local terms energy: -239.470591
where:
bonds (distance) C4'-P energy: -71.123
bonds (distance) P-C4' energy: -71.096
flat angles C4'-P-C4' energy: -75.348
flat angles P-C4'-P energy: -36.245
tors. eta vs tors. theta energy: 14.341
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: 6
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1213.047876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.047876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.047876 (E_RNA)
where:
Base-Base interactions energy: -721.460
where: short stacking energy: -416.885
Base-Backbone interact. energy: -1.795
local terms energy: -489.792954
where:
bonds (distance) C4'-P energy: -92.015
bonds (distance) P-C4' energy: -96.521
flat angles C4'-P-C4' energy: -103.254
flat angles P-C4'-P energy: -71.755
tors. eta vs tors. theta energy: -126.247
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: 106
Temperature: 0.950000
Total energy: -1050.127950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.127950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.127950 (E_RNA)
where:
Base-Base interactions energy: -614.381
where: short stacking energy: -367.922
Base-Backbone interact. energy: -3.395
local terms energy: -432.351419
where:
bonds (distance) C4'-P energy: -97.665
bonds (distance) P-C4' energy: -93.291
flat angles C4'-P-C4' energy: -86.242
flat angles P-C4'-P energy: -57.437
tors. eta vs tors. theta energy: -97.716
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: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -862.470258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.470258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.470258 (E_RNA)
where:
Base-Base interactions energy: -450.672
where: short stacking energy: -286.789
Base-Backbone interact. energy: -1.235
local terms energy: -410.563108
where:
bonds (distance) C4'-P energy: -81.856
bonds (distance) P-C4' energy: -89.732
flat angles C4'-P-C4' energy: -94.854
flat angles P-C4'-P energy: -65.036
tors. eta vs tors. theta energy: -79.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -769.564942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.564942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.564942 (E_RNA)
where:
Base-Base interactions energy: -388.508
where: short stacking energy: -267.691
Base-Backbone interact. energy: -1.259
local terms energy: -379.798112
where:
bonds (distance) C4'-P energy: -78.655
bonds (distance) P-C4' energy: -90.820
flat angles C4'-P-C4' energy: -89.407
flat angles P-C4'-P energy: -55.977
tors. eta vs tors. theta energy: -64.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -608.394018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.394018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.394018 (E_RNA)
where:
Base-Base interactions energy: -285.496
where: short stacking energy: -218.834
Base-Backbone interact. energy: -1.662
local terms energy: -321.235811
where:
bonds (distance) C4'-P energy: -85.294
bonds (distance) P-C4' energy: -90.511
flat angles C4'-P-C4' energy: -71.434
flat angles P-C4'-P energy: -40.933
tors. eta vs tors. theta energy: -33.063
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: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -590.797805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.797805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.797805 (E_RNA)
where:
Base-Base interactions energy: -261.914
where: short stacking energy: -184.020
Base-Backbone interact. energy: -1.333
local terms energy: -327.551489
where:
bonds (distance) C4'-P energy: -80.277
bonds (distance) P-C4' energy: -87.317
flat angles C4'-P-C4' energy: -64.870
flat angles P-C4'-P energy: -59.405
tors. eta vs tors. theta energy: -35.682
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: 1
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -472.070700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.070700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.070700 (E_RNA)
where:
Base-Base interactions energy: -154.378
where: short stacking energy: -123.354
Base-Backbone interact. energy: -1.425
local terms energy: -316.268564
where:
bonds (distance) C4'-P energy: -70.732
bonds (distance) P-C4' energy: -91.384
flat angles C4'-P-C4' energy: -82.863
flat angles P-C4'-P energy: -66.248
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -446.380816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.380816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.380816 (E_RNA)
where:
Base-Base interactions energy: -151.057
where: short stacking energy: -111.744
Base-Backbone interact. energy: -1.404
local terms energy: -293.918887
where:
bonds (distance) C4'-P energy: -75.486
bonds (distance) P-C4' energy: -85.829
flat angles C4'-P-C4' energy: -86.075
flat angles P-C4'-P energy: -48.892
tors. eta vs tors. theta energy: 2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -383.408844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.408844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.408844 (E_RNA)
where:
Base-Base interactions energy: -112.285
where: short stacking energy: -105.136
Base-Backbone interact. energy: 0.027
local terms energy: -271.150346
where:
bonds (distance) C4'-P energy: -81.631
bonds (distance) P-C4' energy: -78.647
flat angles C4'-P-C4' energy: -54.896
flat angles P-C4'-P energy: -45.032
tors. eta vs tors. theta energy: -10.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -357.423946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.423946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.423946 (E_RNA)
where:
Base-Base interactions energy: -125.718
where: short stacking energy: -120.058
Base-Backbone interact. energy: -1.307
local terms energy: -230.398921
where:
bonds (distance) C4'-P energy: -72.785
bonds (distance) P-C4' energy: -71.486
flat angles C4'-P-C4' energy: -57.039
flat angles P-C4'-P energy: -32.762
tors. eta vs tors. theta energy: 3.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1216.617920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.617920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.617920 (E_RNA)
where:
Base-Base interactions energy: -743.152
where: short stacking energy: -435.850
Base-Backbone interact. energy: 0.679
local terms energy: -474.145040
where:
bonds (distance) C4'-P energy: -88.640
bonds (distance) P-C4' energy: -97.206
flat angles C4'-P-C4' energy: -99.063
flat angles P-C4'-P energy: -71.596
tors. eta vs tors. theta energy: -117.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1048.758275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.758275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.758275 (E_RNA)
where:
Base-Base interactions energy: -611.298
where: short stacking energy: -360.482
Base-Backbone interact. energy: -0.009
local terms energy: -437.450844
where:
bonds (distance) C4'-P energy: -80.813
bonds (distance) P-C4' energy: -100.747
flat angles C4'-P-C4' energy: -105.313
flat angles P-C4'-P energy: -52.944
tors. eta vs tors. theta energy: -97.634
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: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -872.360922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.360922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.360922 (E_RNA)
where:
Base-Base interactions energy: -473.407
where: short stacking energy: -308.516
Base-Backbone interact. energy: 0.699
local terms energy: -399.653616
where:
bonds (distance) C4'-P energy: -89.042
bonds (distance) P-C4' energy: -85.854
flat angles C4'-P-C4' energy: -89.186
flat angles P-C4'-P energy: -55.383
tors. eta vs tors. theta energy: -80.189
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: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -786.517101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.517101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.517101 (E_RNA)
where:
Base-Base interactions energy: -391.774
where: short stacking energy: -282.277
Base-Backbone interact. energy: -1.091
local terms energy: -393.651889
where:
bonds (distance) C4'-P energy: -83.106
bonds (distance) P-C4' energy: -95.819
flat angles C4'-P-C4' energy: -94.198
flat angles P-C4'-P energy: -59.372
tors. eta vs tors. theta energy: -61.158
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: 5, replica: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -606.908763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.908763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.908763 (E_RNA)
where:
Base-Base interactions energy: -291.099
where: short stacking energy: -207.943
Base-Backbone interact. energy: -2.842
local terms energy: -312.967798
where:
bonds (distance) C4'-P energy: -87.051
bonds (distance) P-C4' energy: -78.351
flat angles C4'-P-C4' energy: -84.121
flat angles P-C4'-P energy: -51.806
tors. eta vs tors. theta energy: -11.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -544.465207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.465207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.465207 (E_RNA)
where:
Base-Base interactions energy: -236.044
where: short stacking energy: -160.516
Base-Backbone interact. energy: 2.365
local terms energy: -310.785583
where:
bonds (distance) C4'-P energy: -76.589
bonds (distance) P-C4' energy: -83.720
flat angles C4'-P-C4' energy: -80.868
flat angles P-C4'-P energy: -55.676
tors. eta vs tors. theta energy: -13.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -428.577829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.577829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.577829 (E_RNA)
where:
Base-Base interactions energy: -129.214
where: short stacking energy: -107.213
Base-Backbone interact. energy: -3.111
local terms energy: -296.252658
where:
bonds (distance) C4'-P energy: -89.124
bonds (distance) P-C4' energy: -88.677
flat angles C4'-P-C4' energy: -84.361
flat angles P-C4'-P energy: -46.272
tors. eta vs tors. theta energy: 12.181
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: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -411.301741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.301741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.301741 (E_RNA)
where:
Base-Base interactions energy: -150.078
where: short stacking energy: -114.223
Base-Backbone interact. energy: -0.683
local terms energy: -260.540181
where:
bonds (distance) C4'-P energy: -73.088
bonds (distance) P-C4' energy: -89.457
flat angles C4'-P-C4' energy: -53.083
flat angles P-C4'-P energy: -46.510
tors. eta vs tors. theta energy: 1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -381.586487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.586487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.586487 (E_RNA)
where:
Base-Base interactions energy: -122.728
where: short stacking energy: -117.801
Base-Backbone interact. energy: -1.812
local terms energy: -257.046587
where:
bonds (distance) C4'-P energy: -80.437
bonds (distance) P-C4' energy: -76.359
flat angles C4'-P-C4' energy: -51.650
flat angles P-C4'-P energy: -54.826
tors. eta vs tors. theta energy: 6.226
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: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -358.634276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.634276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.634276 (E_RNA)
where:
Base-Base interactions energy: -103.888
where: short stacking energy: -92.495
Base-Backbone interact. energy: 3.778
local terms energy: -258.524564
where:
bonds (distance) C4'-P energy: -71.356
bonds (distance) P-C4' energy: -75.297
flat angles C4'-P-C4' energy: -71.272
flat angles P-C4'-P energy: -45.738
tors. eta vs tors. theta energy: 5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1215.965937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.965937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.965937 (E_RNA)
where:
Base-Base interactions energy: -718.062
where: short stacking energy: -423.662
Base-Backbone interact. energy: 0.514
local terms energy: -498.417912
where:
bonds (distance) C4'-P energy: -107.157
bonds (distance) P-C4' energy: -102.580
flat angles C4'-P-C4' energy: -97.105
flat angles P-C4'-P energy: -66.520
tors. eta vs tors. theta energy: -125.056
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: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1015.237272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.237272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.237272 (E_RNA)
where:
Base-Base interactions energy: -580.990
where: short stacking energy: -340.019
Base-Backbone interact. energy: -0.992
local terms energy: -433.255579
where:
bonds (distance) C4'-P energy: -92.303
bonds (distance) P-C4' energy: -92.414
flat angles C4'-P-C4' energy: -88.355
flat angles P-C4'-P energy: -64.520
tors. eta vs tors. theta energy: -95.663
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: 3, replica: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -893.058708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.058708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.058708 (E_RNA)
where:
Base-Base interactions energy: -494.526
where: short stacking energy: -323.973
Base-Backbone interact. energy: -1.426
local terms energy: -397.107000
where:
bonds (distance) C4'-P energy: -81.924
bonds (distance) P-C4' energy: -86.668
flat angles C4'-P-C4' energy: -83.980
flat angles P-C4'-P energy: -63.790
tors. eta vs tors. theta energy: -80.745
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: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -798.241259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.241259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.241259 (E_RNA)
where:
Base-Base interactions energy: -426.254
where: short stacking energy: -261.791
Base-Backbone interact. energy: 0.737
local terms energy: -372.724547
where:
bonds (distance) C4'-P energy: -82.239
bonds (distance) P-C4' energy: -84.972
flat angles C4'-P-C4' energy: -97.739
flat angles P-C4'-P energy: -50.904
tors. eta vs tors. theta energy: -56.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -630.504833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.504833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.504833 (E_RNA)
where:
Base-Base interactions energy: -295.551
where: short stacking energy: -213.348
Base-Backbone interact. energy: 2.751
local terms energy: -337.705283
where:
bonds (distance) C4'-P energy: -76.433
bonds (distance) P-C4' energy: -91.365
flat angles C4'-P-C4' energy: -79.958
flat angles P-C4'-P energy: -49.247
tors. eta vs tors. theta energy: -40.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -540.317650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.317650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.317650 (E_RNA)
where:
Base-Base interactions energy: -229.279
where: short stacking energy: -169.191
Base-Backbone interact. energy: 1.319
local terms energy: -312.357997
where:
bonds (distance) C4'-P energy: -91.428
bonds (distance) P-C4' energy: -88.816
flat angles C4'-P-C4' energy: -83.912
flat angles P-C4'-P energy: -38.213
tors. eta vs tors. theta energy: -9.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -480.357673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.357673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.357673 (E_RNA)
where:
Base-Base interactions energy: -176.615
where: short stacking energy: -142.978
Base-Backbone interact. energy: -2.632
local terms energy: -301.110424
where:
bonds (distance) C4'-P energy: -69.276
bonds (distance) P-C4' energy: -95.205
flat angles C4'-P-C4' energy: -75.187
flat angles P-C4'-P energy: -42.922
tors. eta vs tors. theta energy: -18.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -429.023423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.023423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.023423 (E_RNA)
where:
Base-Base interactions energy: -154.243
where: short stacking energy: -138.106
Base-Backbone interact. energy: 1.045
local terms energy: -275.825144
where:
bonds (distance) C4'-P energy: -68.342
bonds (distance) P-C4' energy: -93.997
flat angles C4'-P-C4' energy: -65.262
flat angles P-C4'-P energy: -46.427
tors. eta vs tors. theta energy: -1.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -380.014480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.014480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.014480 (E_RNA)
where:
Base-Base interactions energy: -102.951
where: short stacking energy: -88.391
Base-Backbone interact. energy: -0.795
local terms energy: -276.269391
where:
bonds (distance) C4'-P energy: -75.293
bonds (distance) P-C4' energy: -83.139
flat angles C4'-P-C4' energy: -84.934
flat angles P-C4'-P energy: -49.491
tors. eta vs tors. theta energy: 16.587
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: 10, replica: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -362.788508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.788508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.788508 (E_RNA)
where:
Base-Base interactions energy: -116.292
where: short stacking energy: -107.157
Base-Backbone interact. energy: 0.641
local terms energy: -247.137901
where:
bonds (distance) C4'-P energy: -72.849
bonds (distance) P-C4' energy: -82.302
flat angles C4'-P-C4' energy: -56.955
flat angles P-C4'-P energy: -45.148
tors. eta vs tors. theta energy: 10.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1250.040965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.040965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.040965 (E_RNA)
where:
Base-Base interactions energy: -761.611
where: short stacking energy: -451.470
Base-Backbone interact. energy: 0.513
local terms energy: -488.942776
where:
bonds (distance) C4'-P energy: -83.645
bonds (distance) P-C4' energy: -102.058
flat angles C4'-P-C4' energy: -99.319
flat angles P-C4'-P energy: -68.127
tors. eta vs tors. theta energy: -135.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1053.898529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.898529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.898529 (E_RNA)
where:
Base-Base interactions energy: -597.468
where: short stacking energy: -371.793
Base-Backbone interact. energy: -1.672
local terms energy: -454.758567
where:
bonds (distance) C4'-P energy: -92.065
bonds (distance) P-C4' energy: -91.143
flat angles C4'-P-C4' energy: -100.514
flat angles P-C4'-P energy: -60.746
tors. eta vs tors. theta energy: -110.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -930.267569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.267569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.267569 (E_RNA)
where:
Base-Base interactions energy: -520.998
where: short stacking energy: -315.791
Base-Backbone interact. energy: -1.259
local terms energy: -408.010577
where:
bonds (distance) C4'-P energy: -73.554
bonds (distance) P-C4' energy: -100.004
flat angles C4'-P-C4' energy: -97.194
flat angles P-C4'-P energy: -50.864
tors. eta vs tors. theta energy: -86.395
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: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -752.640651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.640651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.640651 (E_RNA)
where:
Base-Base interactions energy: -384.222
where: short stacking energy: -267.180
Base-Backbone interact. energy: 0.129
local terms energy: -368.547897
where:
bonds (distance) C4'-P energy: -99.879
bonds (distance) P-C4' energy: -65.488
flat angles C4'-P-C4' energy: -92.853
flat angles P-C4'-P energy: -48.319
tors. eta vs tors. theta energy: -62.009
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: 9
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -634.061992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.061992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.061992 (E_RNA)
where:
Base-Base interactions energy: -286.155
where: short stacking energy: -214.499
Base-Backbone interact. energy: -1.765
local terms energy: -346.141606
where:
bonds (distance) C4'-P energy: -87.170
bonds (distance) P-C4' energy: -80.151
flat angles C4'-P-C4' energy: -90.155
flat angles P-C4'-P energy: -38.645
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: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -530.596937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.596937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.596937 (E_RNA)
where:
Base-Base interactions energy: -212.241
where: short stacking energy: -167.147
Base-Backbone interact. energy: -1.241
local terms energy: -317.115166
where:
bonds (distance) C4'-P energy: -88.486
bonds (distance) P-C4' energy: -88.729
flat angles C4'-P-C4' energy: -84.070
flat angles P-C4'-P energy: -43.827
tors. eta vs tors. theta energy: -12.004
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: 1
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -472.062837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.062837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.062837 (E_RNA)
where:
Base-Base interactions energy: -201.034
where: short stacking energy: -155.457
Base-Backbone interact. energy: -1.037
local terms energy: -269.991461
where:
bonds (distance) C4'-P energy: -81.311
bonds (distance) P-C4' energy: -71.634
flat angles C4'-P-C4' energy: -70.508
flat angles P-C4'-P energy: -45.140
tors. eta vs tors. theta energy: -1.398
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: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -410.354053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.354053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.354053 (E_RNA)
where:
Base-Base interactions energy: -137.259
where: short stacking energy: -98.795
Base-Backbone interact. energy: -5.175
local terms energy: -267.920017
where:
bonds (distance) C4'-P energy: -78.347
bonds (distance) P-C4' energy: -89.001
flat angles C4'-P-C4' energy: -66.313
flat angles P-C4'-P energy: -38.946
tors. eta vs tors. theta energy: 4.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -366.996534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.996534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.996534 (E_RNA)
where:
Base-Base interactions energy: -120.135
where: short stacking energy: -103.793
Base-Backbone interact. energy: 0.522
local terms energy: -247.384060
where:
bonds (distance) C4'-P energy: -66.617
bonds (distance) P-C4' energy: -74.862
flat angles C4'-P-C4' energy: -80.424
flat angles P-C4'-P energy: -34.316
tors. eta vs tors. theta energy: 8.835
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: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -344.171360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.171360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.171360 (E_RNA)
where:
Base-Base interactions energy: -91.887
where: short stacking energy: -87.677
Base-Backbone interact. energy: -1.662
local terms energy: -250.622683
where:
bonds (distance) C4'-P energy: -65.752
bonds (distance) P-C4' energy: -82.459
flat angles C4'-P-C4' energy: -71.783
flat angles P-C4'-P energy: -46.892
tors. eta vs tors. theta energy: 16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1249.223036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.223036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.223036 (E_RNA)
where:
Base-Base interactions energy: -751.316
where: short stacking energy: -460.595
Base-Backbone interact. energy: -1.706
local terms energy: -496.201039
where:
bonds (distance) C4'-P energy: -87.491
bonds (distance) P-C4' energy: -87.630
flat angles C4'-P-C4' energy: -110.326
flat angles P-C4'-P energy: -75.818
tors. eta vs tors. theta energy: -134.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1059.311480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.311480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.311480 (E_RNA)
where:
Base-Base interactions energy: -610.275
where: short stacking energy: -368.691
Base-Backbone interact. energy: -3.606
local terms energy: -445.430106
where:
bonds (distance) C4'-P energy: -94.223
bonds (distance) P-C4' energy: -92.459
flat angles C4'-P-C4' energy: -98.767
flat angles P-C4'-P energy: -55.141
tors. eta vs tors. theta energy: -104.841
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: 110
Temperature: 1.000000
Total energy: -845.019262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.019262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.019262 (E_RNA)
where:
Base-Base interactions energy: -462.310
where: short stacking energy: -275.346
Base-Backbone interact. energy: -1.382
local terms energy: -381.327523
where:
bonds (distance) C4'-P energy: -83.405
bonds (distance) P-C4' energy: -94.975
flat angles C4'-P-C4' energy: -83.283
flat angles P-C4'-P energy: -59.308
tors. eta vs tors. theta energy: -60.356
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: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -777.790250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.790250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.790250 (E_RNA)
where:
Base-Base interactions energy: -421.197
where: short stacking energy: -271.430
Base-Backbone interact. energy: -1.501
local terms energy: -355.092104
where:
bonds (distance) C4'-P energy: -68.578
bonds (distance) P-C4' energy: -91.302
flat angles C4'-P-C4' energy: -85.293
flat angles P-C4'-P energy: -48.663
tors. eta vs tors. theta energy: -61.255
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: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -582.023471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.023471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.023471 (E_RNA)
where:
Base-Base interactions energy: -247.802
where: short stacking energy: -210.609
Base-Backbone interact. energy: 1.997
local terms energy: -336.218967
where:
bonds (distance) C4'-P energy: -75.678
bonds (distance) P-C4' energy: -90.603
flat angles C4'-P-C4' energy: -80.413
flat angles P-C4'-P energy: -49.068
tors. eta vs tors. theta energy: -40.457
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: 9
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -583.476794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.476794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.476794 (E_RNA)
where:
Base-Base interactions energy: -275.651
where: short stacking energy: -210.887
Base-Backbone interact. energy: 1.616
local terms energy: -309.441497
where:
bonds (distance) C4'-P energy: -84.530
bonds (distance) P-C4' energy: -83.164
flat angles C4'-P-C4' energy: -73.452
flat angles P-C4'-P energy: -39.725
tors. eta vs tors. theta energy: -28.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -451.542896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.542896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.542896 (E_RNA)
where:
Base-Base interactions energy: -148.115
where: short stacking energy: -144.423
Base-Backbone interact. energy: -1.091
local terms energy: -302.336971
where:
bonds (distance) C4'-P energy: -72.742
bonds (distance) P-C4' energy: -88.884
flat angles C4'-P-C4' energy: -68.483
flat angles P-C4'-P energy: -54.421
tors. eta vs tors. theta energy: -17.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -462.210352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.210352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.210352 (E_RNA)
where:
Base-Base interactions energy: -168.973
where: short stacking energy: -154.369
Base-Backbone interact. energy: 1.418
local terms energy: -294.655606
where:
bonds (distance) C4'-P energy: -74.893
bonds (distance) P-C4' energy: -79.107
flat angles C4'-P-C4' energy: -68.675
flat angles P-C4'-P energy: -55.078
tors. eta vs tors. theta energy: -16.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -392.337278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.337278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.337278 (E_RNA)
where:
Base-Base interactions energy: -140.036
where: short stacking energy: -127.004
Base-Backbone interact. energy: 3.285
local terms energy: -255.585998
where:
bonds (distance) C4'-P energy: -91.581
bonds (distance) P-C4' energy: -75.987
flat angles C4'-P-C4' energy: -61.767
flat angles P-C4'-P energy: -28.654
tors. eta vs tors. theta energy: 2.403
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: 10, replica: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -389.575032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.575032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.575032 (E_RNA)
where:
Base-Base interactions energy: -151.060
where: short stacking energy: -148.824
Base-Backbone interact. energy: 5.598
local terms energy: -244.113076
where:
bonds (distance) C4'-P energy: -74.031
bonds (distance) P-C4' energy: -66.252
flat angles C4'-P-C4' energy: -69.135
flat angles P-C4'-P energy: -37.182
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: 6
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1266.030365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.030365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.030365 (E_RNA)
where:
Base-Base interactions energy: -753.808
where: short stacking energy: -450.061
Base-Backbone interact. energy: -1.963
local terms energy: -510.259530
where:
bonds (distance) C4'-P energy: -96.590
bonds (distance) P-C4' energy: -96.524
flat angles C4'-P-C4' energy: -103.456
flat angles P-C4'-P energy: -74.766
tors. eta vs tors. theta energy: -138.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1098.328469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.328469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.328469 (E_RNA)
where:
Base-Base interactions energy: -628.322
where: short stacking energy: -398.438
Base-Backbone interact. energy: -0.182
local terms energy: -469.824096
where:
bonds (distance) C4'-P energy: -85.084
bonds (distance) P-C4' energy: -95.833
flat angles C4'-P-C4' energy: -104.042
flat angles P-C4'-P energy: -69.316
tors. eta vs tors. theta energy: -115.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -886.687750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.687750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.687750 (E_RNA)
where:
Base-Base interactions energy: -498.001
where: short stacking energy: -311.389
Base-Backbone interact. energy: -0.001
local terms energy: -388.685944
where:
bonds (distance) C4'-P energy: -86.165
bonds (distance) P-C4' energy: -88.425
flat angles C4'-P-C4' energy: -95.290
flat angles P-C4'-P energy: -57.379
tors. eta vs tors. theta energy: -61.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -848.149573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.149573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.149573 (E_RNA)
where:
Base-Base interactions energy: -453.927
where: short stacking energy: -298.901
Base-Backbone interact. energy: -0.189
local terms energy: -394.033301
where:
bonds (distance) C4'-P energy: -94.838
bonds (distance) P-C4' energy: -75.129
flat angles C4'-P-C4' energy: -104.762
flat angles P-C4'-P energy: -59.564
tors. eta vs tors. theta energy: -59.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -609.876685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.876685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.876685 (E_RNA)
where:
Base-Base interactions energy: -273.819
where: short stacking energy: -191.514
Base-Backbone interact. energy: -2.791
local terms energy: -333.266427
where:
bonds (distance) C4'-P energy: -91.249
bonds (distance) P-C4' energy: -86.372
flat angles C4'-P-C4' energy: -82.677
flat angles P-C4'-P energy: -54.515
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -536.662278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.662278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.662278 (E_RNA)
where:
Base-Base interactions energy: -217.522
where: short stacking energy: -173.866
Base-Backbone interact. energy: 0.431
local terms energy: -319.570884
where:
bonds (distance) C4'-P energy: -94.907
bonds (distance) P-C4' energy: -87.548
flat angles C4'-P-C4' energy: -68.696
flat angles P-C4'-P energy: -54.606
tors. eta vs tors. theta energy: -13.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -435.466980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.466980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.466980 (E_RNA)
where:
Base-Base interactions energy: -151.099
where: short stacking energy: -134.116
Base-Backbone interact. energy: -0.175
local terms energy: -284.193670
where:
bonds (distance) C4'-P energy: -88.430
bonds (distance) P-C4' energy: -76.230
flat angles C4'-P-C4' energy: -65.602
flat angles P-C4'-P energy: -42.582
tors. eta vs tors. theta energy: -11.349
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: 1
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -398.407683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.407683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.407683 (E_RNA)
where:
Base-Base interactions energy: -140.481
where: short stacking energy: -118.027
Base-Backbone interact. energy: 0.599
local terms energy: -258.525396
where:
bonds (distance) C4'-P energy: -79.930
bonds (distance) P-C4' energy: -76.588
flat angles C4'-P-C4' energy: -59.126
flat angles P-C4'-P energy: -49.658
tors. eta vs tors. theta energy: 6.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -399.339358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.339358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.339358 (E_RNA)
where:
Base-Base interactions energy: -153.639
where: short stacking energy: -139.371
Base-Backbone interact. energy: 10.757
local terms energy: -256.457756
where:
bonds (distance) C4'-P energy: -73.854
bonds (distance) P-C4' energy: -69.790
flat angles C4'-P-C4' energy: -66.001
flat angles P-C4'-P energy: -53.964
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: 10, replica: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -347.154243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.154243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.154243 (E_RNA)
where:
Base-Base interactions energy: -110.226
where: short stacking energy: -96.351
Base-Backbone interact. energy: -2.376
local terms energy: -234.551836
where:
bonds (distance) C4'-P energy: -66.082
bonds (distance) P-C4' energy: -87.295
flat angles C4'-P-C4' energy: -50.180
flat angles P-C4'-P energy: -44.393
tors. eta vs tors. theta energy: 13.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1244.279002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.279002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.279002 (E_RNA)
where:
Base-Base interactions energy: -751.290
where: short stacking energy: -433.094
Base-Backbone interact. energy: 1.003
local terms energy: -493.992084
where:
bonds (distance) C4'-P energy: -95.580
bonds (distance) P-C4' energy: -95.059
flat angles C4'-P-C4' energy: -105.640
flat angles P-C4'-P energy: -71.828
tors. eta vs tors. theta energy: -125.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1065.538431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.538431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.538431 (E_RNA)
where:
Base-Base interactions energy: -614.715
where: short stacking energy: -370.439
Base-Backbone interact. energy: -2.222
local terms energy: -448.600554
where:
bonds (distance) C4'-P energy: -91.947
bonds (distance) P-C4' energy: -80.515
flat angles C4'-P-C4' energy: -102.400
flat angles P-C4'-P energy: -62.426
tors. eta vs tors. theta energy: -111.312
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: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -864.552447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.552447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.552447 (E_RNA)
where:
Base-Base interactions energy: -455.929
where: short stacking energy: -289.561
Base-Backbone interact. energy: -0.940
local terms energy: -407.683009
where:
bonds (distance) C4'-P energy: -75.818
bonds (distance) P-C4' energy: -82.234
flat angles C4'-P-C4' energy: -104.296
flat angles P-C4'-P energy: -62.553
tors. eta vs tors. theta energy: -82.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -750.296705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.296705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.296705 (E_RNA)
where:
Base-Base interactions energy: -390.864
where: short stacking energy: -253.705
Base-Backbone interact. energy: -1.252
local terms energy: -358.180264
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -90.831
flat angles C4'-P-C4' energy: -87.676
flat angles P-C4'-P energy: -44.345
tors. eta vs tors. theta energy: -49.829
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: 9
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -618.932264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.932264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.932264 (E_RNA)
where:
Base-Base interactions energy: -283.347
where: short stacking energy: -207.054
Base-Backbone interact. energy: 4.327
local terms energy: -339.911810
where:
bonds (distance) C4'-P energy: -68.953
bonds (distance) P-C4' energy: -95.301
flat angles C4'-P-C4' energy: -90.253
flat angles P-C4'-P energy: -53.225
tors. eta vs tors. theta energy: -32.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -609.573966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.573966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.573966 (E_RNA)
where:
Base-Base interactions energy: -288.055
where: short stacking energy: -180.052
Base-Backbone interact. energy: -1.921
local terms energy: -319.598115
where:
bonds (distance) C4'-P energy: -75.989
bonds (distance) P-C4' energy: -95.471
flat angles C4'-P-C4' energy: -79.423
flat angles P-C4'-P energy: -45.026
tors. eta vs tors. theta energy: -23.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -460.296362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.296362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.296362 (E_RNA)
where:
Base-Base interactions energy: -174.070
where: short stacking energy: -149.575
Base-Backbone interact. energy: -0.653
local terms energy: -285.573194
where:
bonds (distance) C4'-P energy: -76.942
bonds (distance) P-C4' energy: -78.729
flat angles C4'-P-C4' energy: -69.242
flat angles P-C4'-P energy: -45.505
tors. eta vs tors. theta energy: -15.156
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: 1
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -442.766204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.766204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.766204 (E_RNA)
where:
Base-Base interactions energy: -156.426
where: short stacking energy: -133.338
Base-Backbone interact. energy: 0.533
local terms energy: -286.872493
where:
bonds (distance) C4'-P energy: -88.538
bonds (distance) P-C4' energy: -77.605
flat angles C4'-P-C4' energy: -71.006
flat angles P-C4'-P energy: -40.926
tors. eta vs tors. theta energy: -8.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -375.542199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.542199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.542199 (E_RNA)
where:
Base-Base interactions energy: -141.711
where: short stacking energy: -122.889
Base-Backbone interact. energy: -1.644
local terms energy: -232.187541
where:
bonds (distance) C4'-P energy: -73.845
bonds (distance) P-C4' energy: -76.411
flat angles C4'-P-C4' energy: -66.196
flat angles P-C4'-P energy: -34.790
tors. eta vs tors. theta energy: 19.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -330.394771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.394771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.394771 (E_RNA)
where:
Base-Base interactions energy: -94.542
where: short stacking energy: -81.525
Base-Backbone interact. energy: 7.000
local terms energy: -242.852812
where:
bonds (distance) C4'-P energy: -69.909
bonds (distance) P-C4' energy: -75.716
flat angles C4'-P-C4' energy: -60.015
flat angles P-C4'-P energy: -49.610
tors. eta vs tors. theta energy: 12.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1268.424924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.424924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.424924 (E_RNA)
where:
Base-Base interactions energy: -755.163
where: short stacking energy: -429.214
Base-Backbone interact. energy: -1.324
local terms energy: -511.937822
where:
bonds (distance) C4'-P energy: -101.482
bonds (distance) P-C4' energy: -101.193
flat angles C4'-P-C4' energy: -107.435
flat angles P-C4'-P energy: -69.562
tors. eta vs tors. theta energy: -132.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1072.995818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.995818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.995818 (E_RNA)
where:
Base-Base interactions energy: -610.174
where: short stacking energy: -382.143
Base-Backbone interact. energy: 0.402
local terms energy: -463.223377
where:
bonds (distance) C4'-P energy: -84.036
bonds (distance) P-C4' energy: -101.620
flat angles C4'-P-C4' energy: -104.706
flat angles P-C4'-P energy: -61.378
tors. eta vs tors. theta energy: -111.483
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: 3, replica: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -891.061858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.061858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.061858 (E_RNA)
where:
Base-Base interactions energy: -471.894
where: short stacking energy: -310.912
Base-Backbone interact. energy: -0.132
local terms energy: -419.035946
where:
bonds (distance) C4'-P energy: -80.049
bonds (distance) P-C4' energy: -96.707
flat angles C4'-P-C4' energy: -99.838
flat angles P-C4'-P energy: -66.940
tors. eta vs tors. theta energy: -75.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -843.859177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.859177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.859177 (E_RNA)
where:
Base-Base interactions energy: -451.922
where: short stacking energy: -295.689
Base-Backbone interact. energy: -0.660
local terms energy: -391.277285
where:
bonds (distance) C4'-P energy: -79.062
bonds (distance) P-C4' energy: -92.100
flat angles C4'-P-C4' energy: -82.929
flat angles P-C4'-P energy: -62.977
tors. eta vs tors. theta energy: -74.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -661.878502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.878502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.878502 (E_RNA)
where:
Base-Base interactions energy: -317.834
where: short stacking energy: -201.705
Base-Backbone interact. energy: 1.002
local terms energy: -345.046344
where:
bonds (distance) C4'-P energy: -82.723
bonds (distance) P-C4' energy: -85.158
flat angles C4'-P-C4' energy: -77.805
flat angles P-C4'-P energy: -55.779
tors. eta vs tors. theta energy: -43.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -554.466391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.466391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.466391 (E_RNA)
where:
Base-Base interactions energy: -227.784
where: short stacking energy: -179.988
Base-Backbone interact. energy: -1.132
local terms energy: -325.549891
where:
bonds (distance) C4'-P energy: -76.025
bonds (distance) P-C4' energy: -93.699
flat angles C4'-P-C4' energy: -72.329
flat angles P-C4'-P energy: -55.688
tors. eta vs tors. theta energy: -27.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -479.505654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.505654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.505654 (E_RNA)
where:
Base-Base interactions energy: -172.487
where: short stacking energy: -130.564
Base-Backbone interact. energy: -3.346
local terms energy: -303.672686
where:
bonds (distance) C4'-P energy: -82.361
bonds (distance) P-C4' energy: -88.822
flat angles C4'-P-C4' energy: -80.507
flat angles P-C4'-P energy: -39.843
tors. eta vs tors. theta energy: -12.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -394.345928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.345928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.345928 (E_RNA)
where:
Base-Base interactions energy: -141.440
where: short stacking energy: -135.752
Base-Backbone interact. energy: -0.574
local terms energy: -252.331031
where:
bonds (distance) C4'-P energy: -73.510
bonds (distance) P-C4' energy: -73.770
flat angles C4'-P-C4' energy: -73.935
flat angles P-C4'-P energy: -37.939
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: 9, replica: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -398.343870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.343870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.343870 (E_RNA)
where:
Base-Base interactions energy: -125.795
where: short stacking energy: -114.804
Base-Backbone interact. energy: -3.335
local terms energy: -269.213744
where:
bonds (distance) C4'-P energy: -78.401
bonds (distance) P-C4' energy: -77.372
flat angles C4'-P-C4' energy: -72.563
flat angles P-C4'-P energy: -44.402
tors. eta vs tors. theta energy: 3.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -364.051357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.051357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.051357 (E_RNA)
where:
Base-Base interactions energy: -119.219
where: short stacking energy: -89.674
Base-Backbone interact. energy: 0.622
local terms energy: -245.454271
where:
bonds (distance) C4'-P energy: -59.284
bonds (distance) P-C4' energy: -84.594
flat angles C4'-P-C4' energy: -81.695
flat angles P-C4'-P energy: -48.396
tors. eta vs tors. theta energy: 28.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1275.121732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.121732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.121732 (E_RNA)
where:
Base-Base interactions energy: -773.630
where: short stacking energy: -439.342
Base-Backbone interact. energy: -0.399
local terms energy: -501.092135
where:
bonds (distance) C4'-P energy: -92.928
bonds (distance) P-C4' energy: -95.751
flat angles C4'-P-C4' energy: -103.876
flat angles P-C4'-P energy: -73.748
tors. eta vs tors. theta energy: -134.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1008.594617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.594617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.594617 (E_RNA)
where:
Base-Base interactions energy: -588.147
where: short stacking energy: -364.987
Base-Backbone interact. energy: 2.703
local terms energy: -423.149897
where:
bonds (distance) C4'-P energy: -82.131
bonds (distance) P-C4' energy: -99.738
flat angles C4'-P-C4' energy: -91.693
flat angles P-C4'-P energy: -60.018
tors. eta vs tors. theta energy: -89.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -857.806341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.806341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.806341 (E_RNA)
where:
Base-Base interactions energy: -457.757
where: short stacking energy: -303.001
Base-Backbone interact. energy: -1.545
local terms energy: -398.504418
where:
bonds (distance) C4'-P energy: -77.895
bonds (distance) P-C4' energy: -86.838
flat angles C4'-P-C4' energy: -100.120
flat angles P-C4'-P energy: -65.682
tors. eta vs tors. theta energy: -67.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -805.046056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.046056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.046056 (E_RNA)
where:
Base-Base interactions energy: -452.547
where: short stacking energy: -279.425
Base-Backbone interact. energy: -1.730
local terms energy: -350.768808
where:
bonds (distance) C4'-P energy: -84.924
bonds (distance) P-C4' energy: -82.216
flat angles C4'-P-C4' energy: -78.757
flat angles P-C4'-P energy: -51.071
tors. eta vs tors. theta energy: -53.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -621.288618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.288618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.288618 (E_RNA)
where:
Base-Base interactions energy: -283.402
where: short stacking energy: -201.072
Base-Backbone interact. energy: -0.759
local terms energy: -337.127939
where:
bonds (distance) C4'-P energy: -82.899
bonds (distance) P-C4' energy: -82.679
flat angles C4'-P-C4' energy: -86.063
flat angles P-C4'-P energy: -54.771
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: 6, replica: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -538.517094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.517094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.517094 (E_RNA)
where:
Base-Base interactions energy: -230.687
where: short stacking energy: -163.928
Base-Backbone interact. energy: 1.049
local terms energy: -308.878403
where:
bonds (distance) C4'-P energy: -75.080
bonds (distance) P-C4' energy: -88.112
flat angles C4'-P-C4' energy: -86.779
flat angles P-C4'-P energy: -45.264
tors. eta vs tors. theta energy: -13.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -476.850196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.850196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.850196 (E_RNA)
where:
Base-Base interactions energy: -203.988
where: short stacking energy: -132.901
Base-Backbone interact. energy: 1.815
local terms energy: -274.676529
where:
bonds (distance) C4'-P energy: -69.726
bonds (distance) P-C4' energy: -91.437
flat angles C4'-P-C4' energy: -73.797
flat angles P-C4'-P energy: -39.843
tors. eta vs tors. theta energy: 0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -401.471375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.471375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.471375 (E_RNA)
where:
Base-Base interactions energy: -136.331
where: short stacking energy: -106.525
Base-Backbone interact. energy: -2.237
local terms energy: -262.903379
where:
bonds (distance) C4'-P energy: -82.384
bonds (distance) P-C4' energy: -82.169
flat angles C4'-P-C4' energy: -72.104
flat angles P-C4'-P energy: -26.188
tors. eta vs tors. theta energy: -0.058
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: 5
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -375.523601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.523601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.523601 (E_RNA)
where:
Base-Base interactions energy: -127.327
where: short stacking energy: -108.328
Base-Backbone interact. energy: -1.055
local terms energy: -247.141135
where:
bonds (distance) C4'-P energy: -72.582
bonds (distance) P-C4' energy: -75.571
flat angles C4'-P-C4' energy: -70.566
flat angles P-C4'-P energy: -39.753
tors. eta vs tors. theta energy: 11.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -343.363852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.363852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.363852 (E_RNA)
where:
Base-Base interactions energy: -97.161
where: short stacking energy: -95.841
Base-Backbone interact. energy: 0.648
local terms energy: -246.851226
where:
bonds (distance) C4'-P energy: -89.503
bonds (distance) P-C4' energy: -75.452
flat angles C4'-P-C4' energy: -69.351
flat angles P-C4'-P energy: -31.635
tors. eta vs tors. theta energy: 19.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1225.718157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.718157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.718157 (E_RNA)
where:
Base-Base interactions energy: -736.758
where: short stacking energy: -415.055
Base-Backbone interact. energy: -0.780
local terms energy: -488.180373
where:
bonds (distance) C4'-P energy: -90.165
bonds (distance) P-C4' energy: -102.670
flat angles C4'-P-C4' energy: -103.800
flat angles P-C4'-P energy: -61.000
tors. eta vs tors. theta energy: -130.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1012.029209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.029209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.029209 (E_RNA)
where:
Base-Base interactions energy: -582.646
where: short stacking energy: -348.439
Base-Backbone interact. energy: 1.288
local terms energy: -430.671507
where:
bonds (distance) C4'-P energy: -91.643
bonds (distance) P-C4' energy: -90.031
flat angles C4'-P-C4' energy: -92.821
flat angles P-C4'-P energy: -60.098
tors. eta vs tors. theta energy: -96.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -964.723524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.723524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.723524 (E_RNA)
where:
Base-Base interactions energy: -520.253
where: short stacking energy: -343.723
Base-Backbone interact. energy: 0.150
local terms energy: -444.620167
where:
bonds (distance) C4'-P energy: -77.597
bonds (distance) P-C4' energy: -89.227
flat angles C4'-P-C4' energy: -100.521
flat angles P-C4'-P energy: -74.038
tors. eta vs tors. theta energy: -103.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -830.544083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.544083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.544083 (E_RNA)
where:
Base-Base interactions energy: -453.919
where: short stacking energy: -301.035
Base-Backbone interact. energy: -0.703
local terms energy: -375.921662
where:
bonds (distance) C4'-P energy: -85.181
bonds (distance) P-C4' energy: -88.456
flat angles C4'-P-C4' energy: -85.893
flat angles P-C4'-P energy: -54.322
tors. eta vs tors. theta energy: -62.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -655.697533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.697533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.697533 (E_RNA)
where:
Base-Base interactions energy: -318.959
where: short stacking energy: -233.539
Base-Backbone interact. energy: -0.211
local terms energy: -336.527530
where:
bonds (distance) C4'-P energy: -68.664
bonds (distance) P-C4' energy: -93.172
flat angles C4'-P-C4' energy: -83.263
flat angles P-C4'-P energy: -48.089
tors. eta vs tors. theta energy: -43.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -554.195794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.195794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.195794 (E_RNA)
where:
Base-Base interactions energy: -234.754
where: short stacking energy: -169.141
Base-Backbone interact. energy: 1.392
local terms energy: -320.833493
where:
bonds (distance) C4'-P energy: -80.921
bonds (distance) P-C4' energy: -86.089
flat angles C4'-P-C4' energy: -84.527
flat angles P-C4'-P energy: -46.982
tors. eta vs tors. theta energy: -22.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -494.581211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.581211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.581211 (E_RNA)
where:
Base-Base interactions energy: -203.732
where: short stacking energy: -160.138
Base-Backbone interact. energy: 1.658
local terms energy: -292.506550
where:
bonds (distance) C4'-P energy: -54.970
bonds (distance) P-C4' energy: -83.212
flat angles C4'-P-C4' energy: -75.767
flat angles P-C4'-P energy: -58.252
tors. eta vs tors. theta energy: -20.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -413.956304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.956304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.956304 (E_RNA)
where:
Base-Base interactions energy: -159.819
where: short stacking energy: -141.530
Base-Backbone interact. energy: 1.605
local terms energy: -255.742186
where:
bonds (distance) C4'-P energy: -77.341
bonds (distance) P-C4' energy: -84.809
flat angles C4'-P-C4' energy: -60.262
flat angles P-C4'-P energy: -34.846
tors. eta vs tors. theta energy: 1.516
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: 9, replica: 10
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -373.100183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.100183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.100183 (E_RNA)
where:
Base-Base interactions energy: -144.123
where: short stacking energy: -108.173
Base-Backbone interact. energy: 2.216
local terms energy: -231.192872
where:
bonds (distance) C4'-P energy: -73.504
bonds (distance) P-C4' energy: -77.881
flat angles C4'-P-C4' energy: -68.421
flat angles P-C4'-P energy: -28.463
tors. eta vs tors. theta energy: 17.075
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: 1
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -343.002348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.002348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.002348 (E_RNA)
where:
Base-Base interactions energy: -109.981
where: short stacking energy: -102.991
Base-Backbone interact. energy: 2.071
local terms energy: -235.092453
where:
bonds (distance) C4'-P energy: -77.607
bonds (distance) P-C4' energy: -77.652
flat angles C4'-P-C4' energy: -68.487
flat angles P-C4'-P energy: -33.356
tors. eta vs tors. theta energy: 22.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1241.688247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.688247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.688247 (E_RNA)
where:
Base-Base interactions energy: -773.555
where: short stacking energy: -435.034
Base-Backbone interact. energy: -0.390
local terms energy: -467.743291
where:
bonds (distance) C4'-P energy: -87.322
bonds (distance) P-C4' energy: -87.538
flat angles C4'-P-C4' energy: -101.658
flat angles P-C4'-P energy: -61.607
tors. eta vs tors. theta energy: -129.618
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: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1019.655208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.655208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.655208 (E_RNA)
where:
Base-Base interactions energy: -583.025
where: short stacking energy: -355.959
Base-Backbone interact. energy: -2.476
local terms energy: -434.154002
where:
bonds (distance) C4'-P energy: -86.594
bonds (distance) P-C4' energy: -87.705
flat angles C4'-P-C4' energy: -101.568
flat angles P-C4'-P energy: -56.523
tors. eta vs tors. theta energy: -101.764
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: 116
Temperature: 1.000000
Total energy: -963.413209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.413209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.413209 (E_RNA)
where:
Base-Base interactions energy: -538.604
where: short stacking energy: -337.337
Base-Backbone interact. energy: 0.651
local terms energy: -425.460578
where:
bonds (distance) C4'-P energy: -80.499
bonds (distance) P-C4' energy: -94.752
flat angles C4'-P-C4' energy: -90.062
flat angles P-C4'-P energy: -62.130
tors. eta vs tors. theta energy: -98.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -862.453440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.453440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.453440 (E_RNA)
where:
Base-Base interactions energy: -492.486
where: short stacking energy: -306.245
Base-Backbone interact. energy: -0.884
local terms energy: -369.083743
where:
bonds (distance) C4'-P energy: -78.981
bonds (distance) P-C4' energy: -83.295
flat angles C4'-P-C4' energy: -101.076
flat angles P-C4'-P energy: -43.159
tors. eta vs tors. theta energy: -62.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -577.887125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.887125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.887125 (E_RNA)
where:
Base-Base interactions energy: -241.044
where: short stacking energy: -191.397
Base-Backbone interact. energy: -1.146
local terms energy: -335.697025
where:
bonds (distance) C4'-P energy: -88.453
bonds (distance) P-C4' energy: -88.752
flat angles C4'-P-C4' energy: -75.634
flat angles P-C4'-P energy: -40.942
tors. eta vs tors. theta energy: -41.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -598.074254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.074254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.074254 (E_RNA)
where:
Base-Base interactions energy: -257.618
where: short stacking energy: -187.767
Base-Backbone interact. energy: 1.896
local terms energy: -342.352553
where:
bonds (distance) C4'-P energy: -87.591
bonds (distance) P-C4' energy: -82.610
flat angles C4'-P-C4' energy: -71.607
flat angles P-C4'-P energy: -59.733
tors. eta vs tors. theta energy: -40.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -531.083518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.083518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.083518 (E_RNA)
where:
Base-Base interactions energy: -235.159
where: short stacking energy: -169.372
Base-Backbone interact. energy: -3.215
local terms energy: -292.709911
where:
bonds (distance) C4'-P energy: -60.559
bonds (distance) P-C4' energy: -75.867
flat angles C4'-P-C4' energy: -93.793
flat angles P-C4'-P energy: -42.420
tors. eta vs tors. theta energy: -20.071
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: 5
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -404.823804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.823804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.823804 (E_RNA)
where:
Base-Base interactions energy: -146.460
where: short stacking energy: -122.172
Base-Backbone interact. energy: 5.303
local terms energy: -263.666783
where:
bonds (distance) C4'-P energy: -86.417
bonds (distance) P-C4' energy: -77.445
flat angles C4'-P-C4' energy: -62.555
flat angles P-C4'-P energy: -40.169
tors. eta vs tors. theta energy: 2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -366.149589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.149589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.149589 (E_RNA)
where:
Base-Base interactions energy: -134.992
where: short stacking energy: -105.976
Base-Backbone interact. energy: -1.249
local terms energy: -229.908096
where:
bonds (distance) C4'-P energy: -90.722
bonds (distance) P-C4' energy: -65.318
flat angles C4'-P-C4' energy: -59.246
flat angles P-C4'-P energy: -34.616
tors. eta vs tors. theta energy: 19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -337.032451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.032451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.032451 (E_RNA)
where:
Base-Base interactions energy: -101.633
where: short stacking energy: -94.623
Base-Backbone interact. energy: 2.010
local terms energy: -237.408999
where:
bonds (distance) C4'-P energy: -78.377
bonds (distance) P-C4' energy: -81.569
flat angles C4'-P-C4' energy: -54.537
flat angles P-C4'-P energy: -35.235
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: 1, replica: 6
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1234.549997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.549997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.549997 (E_RNA)
where:
Base-Base interactions energy: -733.183
where: short stacking energy: -429.399
Base-Backbone interact. energy: -0.958
local terms energy: -500.408984
where:
bonds (distance) C4'-P energy: -97.500
bonds (distance) P-C4' energy: -91.152
flat angles C4'-P-C4' energy: -107.048
flat angles P-C4'-P energy: -74.246
tors. eta vs tors. theta energy: -130.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1052.683168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.683168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.683168 (E_RNA)
where:
Base-Base interactions energy: -595.929
where: short stacking energy: -371.252
Base-Backbone interact. energy: -3.921
local terms energy: -452.833702
where:
bonds (distance) C4'-P energy: -91.078
bonds (distance) P-C4' energy: -86.246
flat angles C4'-P-C4' energy: -102.949
flat angles P-C4'-P energy: -68.162
tors. eta vs tors. theta energy: -104.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -936.569615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.569615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.569615 (E_RNA)
where:
Base-Base interactions energy: -507.284
where: short stacking energy: -307.983
Base-Backbone interact. energy: -0.769
local terms energy: -428.517314
where:
bonds (distance) C4'-P energy: -94.132
bonds (distance) P-C4' energy: -77.910
flat angles C4'-P-C4' energy: -97.085
flat angles P-C4'-P energy: -61.331
tors. eta vs tors. theta energy: -98.060
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: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -877.872970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.872970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.872970 (E_RNA)
where:
Base-Base interactions energy: -496.722
where: short stacking energy: -309.572
Base-Backbone interact. energy: 1.772
local terms energy: -382.922966
where:
bonds (distance) C4'-P energy: -82.825
bonds (distance) P-C4' energy: -82.865
flat angles C4'-P-C4' energy: -95.093
flat angles P-C4'-P energy: -48.108
tors. eta vs tors. theta energy: -74.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -606.541793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.541793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.541793 (E_RNA)
where:
Base-Base interactions energy: -290.811
where: short stacking energy: -185.642
Base-Backbone interact. energy: 1.103
local terms energy: -316.834158
where:
bonds (distance) C4'-P energy: -77.710
bonds (distance) P-C4' energy: -87.548
flat angles C4'-P-C4' energy: -74.381
flat angles P-C4'-P energy: -46.952
tors. eta vs tors. theta energy: -30.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -541.237604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.237604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.237604 (E_RNA)
where:
Base-Base interactions energy: -225.417
where: short stacking energy: -153.561
Base-Backbone interact. energy: 1.147
local terms energy: -316.968013
where:
bonds (distance) C4'-P energy: -88.571
bonds (distance) P-C4' energy: -78.745
flat angles C4'-P-C4' energy: -84.975
flat angles P-C4'-P energy: -51.351
tors. eta vs tors. theta energy: -13.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -476.794813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.794813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.794813 (E_RNA)
where:
Base-Base interactions energy: -216.477
where: short stacking energy: -180.391
Base-Backbone interact. energy: 2.849
local terms energy: -263.166876
where:
bonds (distance) C4'-P energy: -86.075
bonds (distance) P-C4' energy: -73.799
flat angles C4'-P-C4' energy: -54.105
flat angles P-C4'-P energy: -34.053
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -430.294760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.294760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.294760 (E_RNA)
where:
Base-Base interactions energy: -154.074
where: short stacking energy: -135.992
Base-Backbone interact. energy: -2.966
local terms energy: -273.254723
where:
bonds (distance) C4'-P energy: -82.058
bonds (distance) P-C4' energy: -74.280
flat angles C4'-P-C4' energy: -63.429
flat angles P-C4'-P energy: -42.814
tors. eta vs tors. theta energy: -10.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -425.900370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.900370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.900370 (E_RNA)
where:
Base-Base interactions energy: -134.455
where: short stacking energy: -121.199
Base-Backbone interact. energy: -0.381
local terms energy: -291.064054
where:
bonds (distance) C4'-P energy: -79.872
bonds (distance) P-C4' energy: -84.842
flat angles C4'-P-C4' energy: -63.333
flat angles P-C4'-P energy: -56.427
tors. eta vs tors. theta energy: -6.589
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: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -353.482170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.482170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.482170 (E_RNA)
where:
Base-Base interactions energy: -100.988
where: short stacking energy: -94.024
Base-Backbone interact. energy: 3.424
local terms energy: -255.918197
where:
bonds (distance) C4'-P energy: -63.724
bonds (distance) P-C4' energy: -85.431
flat angles C4'-P-C4' energy: -72.372
flat angles P-C4'-P energy: -38.164
tors. eta vs tors. theta energy: 3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1246.831942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.831942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.831942 (E_RNA)
where:
Base-Base interactions energy: -746.773
where: short stacking energy: -432.936
Base-Backbone interact. energy: -0.522
local terms energy: -499.537143
where:
bonds (distance) C4'-P energy: -81.267
bonds (distance) P-C4' energy: -102.265
flat angles C4'-P-C4' energy: -118.215
flat angles P-C4'-P energy: -59.887
tors. eta vs tors. theta energy: -137.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -979.977670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.977670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.977670 (E_RNA)
where:
Base-Base interactions energy: -550.933
where: short stacking energy: -328.891
Base-Backbone interact. energy: -0.793
local terms energy: -428.251190
where:
bonds (distance) C4'-P energy: -86.609
bonds (distance) P-C4' energy: -97.948
flat angles C4'-P-C4' energy: -98.897
flat angles P-C4'-P energy: -57.551
tors. eta vs tors. theta energy: -87.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -957.695269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.695269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.695269 (E_RNA)
where:
Base-Base interactions energy: -541.420
where: short stacking energy: -334.983
Base-Backbone interact. energy: -0.323
local terms energy: -415.952259
where:
bonds (distance) C4'-P energy: -82.717
bonds (distance) P-C4' energy: -77.697
flat angles C4'-P-C4' energy: -106.235
flat angles P-C4'-P energy: -59.826
tors. eta vs tors. theta energy: -89.478
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: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -791.339554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.339554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.339554 (E_RNA)
where:
Base-Base interactions energy: -427.557
where: short stacking energy: -239.847
Base-Backbone interact. energy: -2.239
local terms energy: -361.543097
where:
bonds (distance) C4'-P energy: -92.510
bonds (distance) P-C4' energy: -91.617
flat angles C4'-P-C4' energy: -88.001
flat angles P-C4'-P energy: -47.022
tors. eta vs tors. theta energy: -42.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -614.879973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.879973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.879973 (E_RNA)
where:
Base-Base interactions energy: -288.543
where: short stacking energy: -194.212
Base-Backbone interact. energy: 2.147
local terms energy: -328.483136
where:
bonds (distance) C4'-P energy: -91.835
bonds (distance) P-C4' energy: -80.322
flat angles C4'-P-C4' energy: -84.694
flat angles P-C4'-P energy: -51.486
tors. eta vs tors. theta energy: -20.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -592.731769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.731769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.731769 (E_RNA)
where:
Base-Base interactions energy: -276.747
where: short stacking energy: -183.192
Base-Backbone interact. energy: 3.698
local terms energy: -319.683218
where:
bonds (distance) C4'-P energy: -91.097
bonds (distance) P-C4' energy: -87.165
flat angles C4'-P-C4' energy: -71.095
flat angles P-C4'-P energy: -50.194
tors. eta vs tors. theta energy: -20.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -443.119146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.119146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.119146 (E_RNA)
where:
Base-Base interactions energy: -151.814
where: short stacking energy: -123.426
Base-Backbone interact. energy: 3.120
local terms energy: -294.424927
where:
bonds (distance) C4'-P energy: -81.827
bonds (distance) P-C4' energy: -82.867
flat angles C4'-P-C4' energy: -85.831
flat angles P-C4'-P energy: -44.473
tors. eta vs tors. theta energy: 0.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -391.188519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.188519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.188519 (E_RNA)
where:
Base-Base interactions energy: -131.480
where: short stacking energy: -119.169
Base-Backbone interact. energy: 5.415
local terms energy: -265.124025
where:
bonds (distance) C4'-P energy: -80.930
bonds (distance) P-C4' energy: -76.516
flat angles C4'-P-C4' energy: -78.029
flat angles P-C4'-P energy: -40.307
tors. eta vs tors. theta energy: 10.658
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: 9, replica: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -403.870130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.870130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.870130 (E_RNA)
where:
Base-Base interactions energy: -138.196
where: short stacking energy: -110.872
Base-Backbone interact. energy: 0.014
local terms energy: -265.688598
where:
bonds (distance) C4'-P energy: -74.692
bonds (distance) P-C4' energy: -74.850
flat angles C4'-P-C4' energy: -71.448
flat angles P-C4'-P energy: -54.170
tors. eta vs tors. theta energy: 9.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -364.208283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.208283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.208283 (E_RNA)
where:
Base-Base interactions energy: -113.204
where: short stacking energy: -109.843
Base-Backbone interact. energy: 6.566
local terms energy: -257.569579
where:
bonds (distance) C4'-P energy: -76.340
bonds (distance) P-C4' energy: -80.567
flat angles C4'-P-C4' energy: -79.069
flat angles P-C4'-P energy: -30.253
tors. eta vs tors. theta energy: 8.659
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: 6
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1280.555218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.555218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.555218 (E_RNA)
where:
Base-Base interactions energy: -781.234
where: short stacking energy: -455.741
Base-Backbone interact. energy: 0.450
local terms energy: -499.771362
where:
bonds (distance) C4'-P energy: -90.248
bonds (distance) P-C4' energy: -96.670
flat angles C4'-P-C4' energy: -105.470
flat angles P-C4'-P energy: -69.600
tors. eta vs tors. theta energy: -137.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1026.611121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.611121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.611121 (E_RNA)
where:
Base-Base interactions energy: -577.009
where: short stacking energy: -370.508
Base-Backbone interact. energy: 0.642
local terms energy: -450.244249
where:
bonds (distance) C4'-P energy: -88.725
bonds (distance) P-C4' energy: -78.976
flat angles C4'-P-C4' energy: -102.553
flat angles P-C4'-P energy: -66.575
tors. eta vs tors. theta energy: -113.415
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: 7
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -973.441880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.441880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.441880 (E_RNA)
where:
Base-Base interactions energy: -546.640
where: short stacking energy: -326.233
Base-Backbone interact. energy: -1.818
local terms energy: -424.984464
where:
bonds (distance) C4'-P energy: -90.844
bonds (distance) P-C4' energy: -86.447
flat angles C4'-P-C4' energy: -104.160
flat angles P-C4'-P energy: -53.915
tors. eta vs tors. theta energy: -89.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -773.381164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.381164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.381164 (E_RNA)
where:
Base-Base interactions energy: -394.982
where: short stacking energy: -252.556
Base-Backbone interact. energy: -1.602
local terms energy: -376.797210
where:
bonds (distance) C4'-P energy: -97.836
bonds (distance) P-C4' energy: -86.914
flat angles C4'-P-C4' energy: -91.505
flat angles P-C4'-P energy: -50.997
tors. eta vs tors. theta energy: -49.545
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: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -651.768036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.768036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.768036 (E_RNA)
where:
Base-Base interactions energy: -300.912
where: short stacking energy: -208.722
Base-Backbone interact. energy: 1.484
local terms energy: -352.339958
where:
bonds (distance) C4'-P energy: -87.180
bonds (distance) P-C4' energy: -85.719
flat angles C4'-P-C4' energy: -90.222
flat angles P-C4'-P energy: -50.606
tors. eta vs tors. theta energy: -38.613
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: 6, replica: 9
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -579.716582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.716582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.716582 (E_RNA)
where:
Base-Base interactions energy: -248.849
where: short stacking energy: -168.689
Base-Backbone interact. energy: 0.192
local terms energy: -331.059309
where:
bonds (distance) C4'-P energy: -88.690
bonds (distance) P-C4' energy: -92.407
flat angles C4'-P-C4' energy: -78.634
flat angles P-C4'-P energy: -56.622
tors. eta vs tors. theta energy: -14.706
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: 119
Temperature: 1.200000
Total energy: -467.392991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.392991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.392991 (E_RNA)
where:
Base-Base interactions energy: -167.709
where: short stacking energy: -157.974
Base-Backbone interact. energy: -0.631
local terms energy: -299.052584
where:
bonds (distance) C4'-P energy: -84.137
bonds (distance) P-C4' energy: -77.340
flat angles C4'-P-C4' energy: -74.553
flat angles P-C4'-P energy: -45.475
tors. eta vs tors. theta energy: -17.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -398.652096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.652096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.652096 (E_RNA)
where:
Base-Base interactions energy: -131.142
where: short stacking energy: -123.403
Base-Backbone interact. energy: 4.402
local terms energy: -271.912099
where:
bonds (distance) C4'-P energy: -63.703
bonds (distance) P-C4' energy: -78.330
flat angles C4'-P-C4' energy: -74.386
flat angles P-C4'-P energy: -51.123
tors. eta vs tors. theta energy: -4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -405.073057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.073057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.073057 (E_RNA)
where:
Base-Base interactions energy: -148.479
where: short stacking energy: -124.908
Base-Backbone interact. energy: 1.339
local terms energy: -257.932971
where:
bonds (distance) C4'-P energy: -84.432
bonds (distance) P-C4' energy: -70.788
flat angles C4'-P-C4' energy: -58.891
flat angles P-C4'-P energy: -35.666
tors. eta vs tors. theta energy: -8.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -350.916859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.916859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.916859 (E_RNA)
where:
Base-Base interactions energy: -116.532
where: short stacking energy: -107.694
Base-Backbone interact. energy: -0.039
local terms energy: -234.346454
where:
bonds (distance) C4'-P energy: -65.145
bonds (distance) P-C4' energy: -67.732
flat angles C4'-P-C4' energy: -57.885
flat angles P-C4'-P energy: -37.042
tors. eta vs tors. theta energy: -6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1279.560876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.560876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.560876 (E_RNA)
where:
Base-Base interactions energy: -766.758
where: short stacking energy: -468.529
Base-Backbone interact. energy: -1.215
local terms energy: -511.588461
where:
bonds (distance) C4'-P energy: -91.383
bonds (distance) P-C4' energy: -95.313
flat angles C4'-P-C4' energy: -106.921
flat angles P-C4'-P energy: -77.540
tors. eta vs tors. theta energy: -140.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1024.158576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.158576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.158576 (E_RNA)
where:
Base-Base interactions energy: -576.836
where: short stacking energy: -344.987
Base-Backbone interact. energy: -1.531
local terms energy: -445.790884
where:
bonds (distance) C4'-P energy: -90.401
bonds (distance) P-C4' energy: -93.581
flat angles C4'-P-C4' energy: -104.409
flat angles P-C4'-P energy: -57.331
tors. eta vs tors. theta energy: -100.069
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: 7
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1002.325939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.325939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.325939 (E_RNA)
where:
Base-Base interactions energy: -587.842
where: short stacking energy: -340.213
Base-Backbone interact. energy: -2.891
local terms energy: -411.593079
where:
bonds (distance) C4'-P energy: -85.314
bonds (distance) P-C4' energy: -85.178
flat angles C4'-P-C4' energy: -91.865
flat angles P-C4'-P energy: -52.487
tors. eta vs tors. theta energy: -96.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -758.058712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.058712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.058712 (E_RNA)
where:
Base-Base interactions energy: -389.016
where: short stacking energy: -231.070
Base-Backbone interact. energy: -0.675
local terms energy: -368.367799
where:
bonds (distance) C4'-P energy: -84.275
bonds (distance) P-C4' energy: -82.129
flat angles C4'-P-C4' energy: -98.052
flat angles P-C4'-P energy: -62.181
tors. eta vs tors. theta energy: -41.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -651.774518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.774518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.774518 (E_RNA)
where:
Base-Base interactions energy: -310.405
where: short stacking energy: -213.204
Base-Backbone interact. energy: -0.789
local terms energy: -340.580557
where:
bonds (distance) C4'-P energy: -83.984
bonds (distance) P-C4' energy: -78.360
flat angles C4'-P-C4' energy: -84.270
flat angles P-C4'-P energy: -55.664
tors. eta vs tors. theta energy: -38.302
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: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -575.373261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.373261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.373261 (E_RNA)
where:
Base-Base interactions energy: -260.957
where: short stacking energy: -197.822
Base-Backbone interact. energy: 0.160
local terms energy: -314.576545
where:
bonds (distance) C4'-P energy: -74.810
bonds (distance) P-C4' energy: -88.023
flat angles C4'-P-C4' energy: -76.291
flat angles P-C4'-P energy: -41.003
tors. eta vs tors. theta energy: -34.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -438.608921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.608921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.608921 (E_RNA)
where:
Base-Base interactions energy: -173.435
where: short stacking energy: -160.388
Base-Backbone interact. energy: -0.354
local terms energy: -264.820062
where:
bonds (distance) C4'-P energy: -69.638
bonds (distance) P-C4' energy: -69.254
flat angles C4'-P-C4' energy: -74.746
flat angles P-C4'-P energy: -46.246
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -381.217097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.217097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.217097 (E_RNA)
where:
Base-Base interactions energy: -128.896
where: short stacking energy: -101.411
Base-Backbone interact. energy: 1.071
local terms energy: -253.392195
where:
bonds (distance) C4'-P energy: -82.575
bonds (distance) P-C4' energy: -80.992
flat angles C4'-P-C4' energy: -63.351
flat angles P-C4'-P energy: -37.059
tors. eta vs tors. theta energy: 10.585
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: 1
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -399.756339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.756339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.756339 (E_RNA)
where:
Base-Base interactions energy: -120.227
where: short stacking energy: -113.014
Base-Backbone interact. energy: 2.486
local terms energy: -282.015470
where:
bonds (distance) C4'-P energy: -88.051
bonds (distance) P-C4' energy: -98.878
flat angles C4'-P-C4' energy: -62.198
flat angles P-C4'-P energy: -39.127
tors. eta vs tors. theta energy: 6.237
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: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -348.735394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.735394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.735394 (E_RNA)
where:
Base-Base interactions energy: -106.595
where: short stacking energy: -80.461
Base-Backbone interact. energy: -1.834
local terms energy: -240.306104
where:
bonds (distance) C4'-P energy: -77.878
bonds (distance) P-C4' energy: -73.490
flat angles C4'-P-C4' energy: -63.968
flat angles P-C4'-P energy: -42.345
tors. eta vs tors. theta energy: 17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1237.914489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.914489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.914489 (E_RNA)
where:
Base-Base interactions energy: -742.150
where: short stacking energy: -434.713
Base-Backbone interact. energy: 0.507
local terms energy: -496.271835
where:
bonds (distance) C4'-P energy: -81.762
bonds (distance) P-C4' energy: -103.659
flat angles C4'-P-C4' energy: -104.637
flat angles P-C4'-P energy: -64.665
tors. eta vs tors. theta energy: -141.548
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: 7
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1027.767508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.767508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.767508 (E_RNA)
where:
Base-Base interactions energy: -593.382
where: short stacking energy: -336.105
Base-Backbone interact. energy: -2.543
local terms energy: -431.842570
where:
bonds (distance) C4'-P energy: -91.185
bonds (distance) P-C4' energy: -90.369
flat angles C4'-P-C4' energy: -92.364
flat angles P-C4'-P energy: -59.923
tors. eta vs tors. theta energy: -98.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -948.471438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.471438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.471438 (E_RNA)
where:
Base-Base interactions energy: -530.899
where: short stacking energy: -316.579
Base-Backbone interact. energy: -0.459
local terms energy: -417.113736
where:
bonds (distance) C4'-P energy: -83.807
bonds (distance) P-C4' energy: -90.818
flat angles C4'-P-C4' energy: -97.583
flat angles P-C4'-P energy: -63.931
tors. eta vs tors. theta energy: -80.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -795.641697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.641697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.641697 (E_RNA)
where:
Base-Base interactions energy: -429.830
where: short stacking energy: -267.333
Base-Backbone interact. energy: 1.651
local terms energy: -367.463459
where:
bonds (distance) C4'-P energy: -82.906
bonds (distance) P-C4' energy: -80.120
flat angles C4'-P-C4' energy: -93.156
flat angles P-C4'-P energy: -51.746
tors. eta vs tors. theta energy: -59.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -594.946287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.946287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.946287 (E_RNA)
where:
Base-Base interactions energy: -267.621
where: short stacking energy: -183.330
Base-Backbone interact. energy: -1.660
local terms energy: -325.665645
where:
bonds (distance) C4'-P energy: -74.122
bonds (distance) P-C4' energy: -83.484
flat angles C4'-P-C4' energy: -88.437
flat angles P-C4'-P energy: -46.319
tors. eta vs tors. theta energy: -33.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -561.290903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.290903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.290903 (E_RNA)
where:
Base-Base interactions energy: -265.640
where: short stacking energy: -189.728
Base-Backbone interact. energy: 1.380
local terms energy: -297.030276
where:
bonds (distance) C4'-P energy: -73.418
bonds (distance) P-C4' energy: -86.470
flat angles C4'-P-C4' energy: -74.901
flat angles P-C4'-P energy: -37.034
tors. eta vs tors. theta energy: -25.206
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: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -467.570948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.570948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.570948 (E_RNA)
where:
Base-Base interactions energy: -188.846
where: short stacking energy: -124.967
Base-Backbone interact. energy: -1.011
local terms energy: -277.713958
where:
bonds (distance) C4'-P energy: -91.710
bonds (distance) P-C4' energy: -90.610
flat angles C4'-P-C4' energy: -56.339
flat angles P-C4'-P energy: -29.290
tors. eta vs tors. theta energy: -9.764
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: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -415.260982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.260982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.260982 (E_RNA)
where:
Base-Base interactions energy: -158.032
where: short stacking energy: -139.566
Base-Backbone interact. energy: 5.891
local terms energy: -263.120553
where:
bonds (distance) C4'-P energy: -80.805
bonds (distance) P-C4' energy: -82.680
flat angles C4'-P-C4' energy: -66.658
flat angles P-C4'-P energy: -40.856
tors. eta vs tors. theta energy: 7.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -393.000498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.000498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.000498 (E_RNA)
where:
Base-Base interactions energy: -127.681
where: short stacking energy: -106.276
Base-Backbone interact. energy: 0.469
local terms energy: -265.788779
where:
bonds (distance) C4'-P energy: -65.634
bonds (distance) P-C4' energy: -90.251
flat angles C4'-P-C4' energy: -63.500
flat angles P-C4'-P energy: -45.212
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -335.285610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.285610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.285610 (E_RNA)
where:
Base-Base interactions energy: -95.967
where: short stacking energy: -86.151
Base-Backbone interact. energy: -2.207
local terms energy: -237.111683
where:
bonds (distance) C4'-P energy: -65.914
bonds (distance) P-C4' energy: -79.195
flat angles C4'-P-C4' energy: -64.372
flat angles P-C4'-P energy: -46.611
tors. eta vs tors. theta energy: 18.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1227.522215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.522215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.522215 (E_RNA)
where:
Base-Base interactions energy: -739.208
where: short stacking energy: -435.293
Base-Backbone interact. energy: -0.944
local terms energy: -487.369668
where:
bonds (distance) C4'-P energy: -99.016
bonds (distance) P-C4' energy: -92.972
flat angles C4'-P-C4' energy: -100.387
flat angles P-C4'-P energy: -70.461
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: 2, replica: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1080.738090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.738090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.738090 (E_RNA)
where:
Base-Base interactions energy: -622.296
where: short stacking energy: -375.706
Base-Backbone interact. energy: -2.948
local terms energy: -455.494079
where:
bonds (distance) C4'-P energy: -88.480
bonds (distance) P-C4' energy: -96.180
flat angles C4'-P-C4' energy: -107.700
flat angles P-C4'-P energy: -64.770
tors. eta vs tors. theta energy: -98.365
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: 4
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1001.105283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.105283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.105283 (E_RNA)
where:
Base-Base interactions energy: -563.598
where: short stacking energy: -339.967
Base-Backbone interact. energy: -0.501
local terms energy: -437.006204
where:
bonds (distance) C4'-P energy: -99.439
bonds (distance) P-C4' energy: -81.508
flat angles C4'-P-C4' energy: -98.395
flat angles P-C4'-P energy: -56.285
tors. eta vs tors. theta energy: -101.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -839.481341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.481341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.481341 (E_RNA)
where:
Base-Base interactions energy: -457.868
where: short stacking energy: -303.877
Base-Backbone interact. energy: 1.404
local terms energy: -383.017589
where:
bonds (distance) C4'-P energy: -79.383
bonds (distance) P-C4' energy: -89.671
flat angles C4'-P-C4' energy: -93.550
flat angles P-C4'-P energy: -52.777
tors. eta vs tors. theta energy: -67.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -613.491594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.491594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.491594 (E_RNA)
where:
Base-Base interactions energy: -272.517
where: short stacking energy: -211.946
Base-Backbone interact. energy: -0.697
local terms energy: -340.277315
where:
bonds (distance) C4'-P energy: -85.428
bonds (distance) P-C4' energy: -75.503
flat angles C4'-P-C4' energy: -84.243
flat angles P-C4'-P energy: -49.493
tors. eta vs tors. theta energy: -45.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -585.107770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.107770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.107770 (E_RNA)
where:
Base-Base interactions energy: -231.815
where: short stacking energy: -171.097
Base-Backbone interact. energy: -1.166
local terms energy: -352.126827
where:
bonds (distance) C4'-P energy: -79.262
bonds (distance) P-C4' energy: -84.095
flat angles C4'-P-C4' energy: -86.144
flat angles P-C4'-P energy: -58.692
tors. eta vs tors. theta energy: -43.934
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: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -457.799029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.799029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.799029 (E_RNA)
where:
Base-Base interactions energy: -175.405
where: short stacking energy: -144.004
Base-Backbone interact. energy: 0.423
local terms energy: -282.817054
where:
bonds (distance) C4'-P energy: -69.901
bonds (distance) P-C4' energy: -89.434
flat angles C4'-P-C4' energy: -76.565
flat angles P-C4'-P energy: -36.477
tors. eta vs tors. theta energy: -10.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -414.535389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.535389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.535389 (E_RNA)
where:
Base-Base interactions energy: -151.123
where: short stacking energy: -134.542
Base-Backbone interact. energy: 5.829
local terms energy: -269.241065
where:
bonds (distance) C4'-P energy: -70.647
bonds (distance) P-C4' energy: -69.076
flat angles C4'-P-C4' energy: -80.828
flat angles P-C4'-P energy: -42.839
tors. eta vs tors. theta energy: -5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -403.225046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.225046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.225046 (E_RNA)
where:
Base-Base interactions energy: -135.995
where: short stacking energy: -122.702
Base-Backbone interact. energy: -0.459
local terms energy: -266.770560
where:
bonds (distance) C4'-P energy: -77.865
bonds (distance) P-C4' energy: -83.371
flat angles C4'-P-C4' energy: -73.639
flat angles P-C4'-P energy: -28.801
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -345.521264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.521264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.521264 (E_RNA)
where:
Base-Base interactions energy: -114.551
where: short stacking energy: -106.534
Base-Backbone interact. energy: 1.233
local terms energy: -232.203497
where:
bonds (distance) C4'-P energy: -61.764
bonds (distance) P-C4' energy: -77.431
flat angles C4'-P-C4' energy: -62.226
flat angles P-C4'-P energy: -48.544
tors. eta vs tors. theta energy: 17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1250.909660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.909660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.909660 (E_RNA)
where:
Base-Base interactions energy: -763.049
where: short stacking energy: -441.438
Base-Backbone interact. energy: -0.655
local terms energy: -487.205089
where:
bonds (distance) C4'-P energy: -90.322
bonds (distance) P-C4' energy: -89.072
flat angles C4'-P-C4' energy: -108.182
flat angles P-C4'-P energy: -58.902
tors. eta vs tors. theta energy: -140.728
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: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1061.879726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.879726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.879726 (E_RNA)
where:
Base-Base interactions energy: -605.429
where: short stacking energy: -348.667
Base-Backbone interact. energy: -0.787
local terms energy: -455.664165
where:
bonds (distance) C4'-P energy: -92.430
bonds (distance) P-C4' energy: -100.118
flat angles C4'-P-C4' energy: -105.252
flat angles P-C4'-P energy: -64.840
tors. eta vs tors. theta energy: -93.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1006.463749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.463749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.463749 (E_RNA)
where:
Base-Base interactions energy: -573.453
where: short stacking energy: -341.722
Base-Backbone interact. energy: -0.097
local terms energy: -432.912813
where:
bonds (distance) C4'-P energy: -78.728
bonds (distance) P-C4' energy: -95.889
flat angles C4'-P-C4' energy: -97.337
flat angles P-C4'-P energy: -69.413
tors. eta vs tors. theta energy: -91.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -801.090239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.090239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.090239 (E_RNA)
where:
Base-Base interactions energy: -428.708
where: short stacking energy: -284.245
Base-Backbone interact. energy: -0.802
local terms energy: -371.580657
where:
bonds (distance) C4'-P energy: -72.510
bonds (distance) P-C4' energy: -93.783
flat angles C4'-P-C4' energy: -85.428
flat angles P-C4'-P energy: -47.898
tors. eta vs tors. theta energy: -71.961
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: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -615.507706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.507706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.507706 (E_RNA)
where:
Base-Base interactions energy: -279.963
where: short stacking energy: -214.134
Base-Backbone interact. energy: 2.185
local terms energy: -337.729855
where:
bonds (distance) C4'-P energy: -83.996
bonds (distance) P-C4' energy: -90.394
flat angles C4'-P-C4' energy: -83.205
flat angles P-C4'-P energy: -44.888
tors. eta vs tors. theta energy: -35.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -556.755209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.755209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.755209 (E_RNA)
where:
Base-Base interactions energy: -239.543
where: short stacking energy: -173.926
Base-Backbone interact. energy: 2.894
local terms energy: -320.105552
where:
bonds (distance) C4'-P energy: -94.443
bonds (distance) P-C4' energy: -89.076
flat angles C4'-P-C4' energy: -81.929
flat angles P-C4'-P energy: -44.003
tors. eta vs tors. theta energy: -10.655
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: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -472.898943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.898943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.898943 (E_RNA)
where:
Base-Base interactions energy: -189.056
where: short stacking energy: -156.616
Base-Backbone interact. energy: -1.758
local terms energy: -282.084270
where:
bonds (distance) C4'-P energy: -73.770
bonds (distance) P-C4' energy: -85.400
flat angles C4'-P-C4' energy: -66.137
flat angles P-C4'-P energy: -45.757
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: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -408.754182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.754182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.754182 (E_RNA)
where:
Base-Base interactions energy: -143.315
where: short stacking energy: -122.310
Base-Backbone interact. energy: -0.664
local terms energy: -264.775893
where:
bonds (distance) C4'-P energy: -77.956
bonds (distance) P-C4' energy: -81.416
flat angles C4'-P-C4' energy: -57.887
flat angles P-C4'-P energy: -44.882
tors. eta vs tors. theta energy: -2.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -413.990373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.990373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.990373 (E_RNA)
where:
Base-Base interactions energy: -167.072
where: short stacking energy: -144.402
Base-Backbone interact. energy: -0.519
local terms energy: -246.399081
where:
bonds (distance) C4'-P energy: -64.266
bonds (distance) P-C4' energy: -77.397
flat angles C4'-P-C4' energy: -71.691
flat angles P-C4'-P energy: -27.647
tors. eta vs tors. theta energy: -5.398
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: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -358.280000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.280000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.280000 (E_RNA)
where:
Base-Base interactions energy: -118.907
where: short stacking energy: -100.283
Base-Backbone interact. energy: -1.052
local terms energy: -238.321171
where:
bonds (distance) C4'-P energy: -77.186
bonds (distance) P-C4' energy: -61.811
flat angles C4'-P-C4' energy: -61.745
flat angles P-C4'-P energy: -36.495
tors. eta vs tors. theta energy: -1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1243.637081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.637081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.637081 (E_RNA)
where:
Base-Base interactions energy: -737.837
where: short stacking energy: -431.859
Base-Backbone interact. energy: 0.240
local terms energy: -506.039549
where:
bonds (distance) C4'-P energy: -98.912
bonds (distance) P-C4' energy: -102.586
flat angles C4'-P-C4' energy: -99.633
flat angles P-C4'-P energy: -62.767
tors. eta vs tors. theta energy: -142.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1072.748502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.748502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.748502 (E_RNA)
where:
Base-Base interactions energy: -625.610
where: short stacking energy: -367.413
Base-Backbone interact. energy: 1.585
local terms energy: -448.723821
where:
bonds (distance) C4'-P energy: -88.897
bonds (distance) P-C4' energy: -99.415
flat angles C4'-P-C4' energy: -100.281
flat angles P-C4'-P energy: -62.712
tors. eta vs tors. theta energy: -97.418
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: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1016.057091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.057091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.057091 (E_RNA)
where:
Base-Base interactions energy: -590.799
where: short stacking energy: -351.199
Base-Backbone interact. energy: 2.964
local terms energy: -428.222123
where:
bonds (distance) C4'-P energy: -78.602
bonds (distance) P-C4' energy: -92.346
flat angles C4'-P-C4' energy: -93.242
flat angles P-C4'-P energy: -65.283
tors. eta vs tors. theta energy: -98.750
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: 2
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -783.076255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.076255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.076255 (E_RNA)
where:
Base-Base interactions energy: -406.410
where: short stacking energy: -256.716
Base-Backbone interact. energy: -0.236
local terms energy: -376.429471
where:
bonds (distance) C4'-P energy: -82.255
bonds (distance) P-C4' energy: -93.028
flat angles C4'-P-C4' energy: -83.230
flat angles P-C4'-P energy: -54.883
tors. eta vs tors. theta energy: -63.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -614.765771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.765771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.765771 (E_RNA)
where:
Base-Base interactions energy: -267.816
where: short stacking energy: -185.995
Base-Backbone interact. energy: -1.806
local terms energy: -345.143769
where:
bonds (distance) C4'-P energy: -94.371
bonds (distance) P-C4' energy: -88.554
flat angles C4'-P-C4' energy: -80.882
flat angles P-C4'-P energy: -52.050
tors. eta vs tors. theta energy: -29.286
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: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -567.953388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.953388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.953388 (E_RNA)
where:
Base-Base interactions energy: -242.694
where: short stacking energy: -176.711
Base-Backbone interact. energy: -1.565
local terms energy: -323.694296
where:
bonds (distance) C4'-P energy: -82.772
bonds (distance) P-C4' energy: -82.722
flat angles C4'-P-C4' energy: -86.135
flat angles P-C4'-P energy: -51.554
tors. eta vs tors. theta energy: -20.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -454.860175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.860175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.860175 (E_RNA)
where:
Base-Base interactions energy: -171.650
where: short stacking energy: -157.092
Base-Backbone interact. energy: -0.887
local terms energy: -282.322975
where:
bonds (distance) C4'-P energy: -74.717
bonds (distance) P-C4' energy: -87.330
flat angles C4'-P-C4' energy: -60.875
flat angles P-C4'-P energy: -51.398
tors. eta vs tors. theta energy: -8.002
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: 124
Temperature: 1.250000
Total energy: -400.552659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.552659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.552659 (E_RNA)
where:
Base-Base interactions energy: -132.536
where: short stacking energy: -111.932
Base-Backbone interact. energy: 1.449
local terms energy: -269.465944
where:
bonds (distance) C4'-P energy: -83.051
bonds (distance) P-C4' energy: -77.400
flat angles C4'-P-C4' energy: -77.429
flat angles P-C4'-P energy: -42.998
tors. eta vs tors. theta energy: 11.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -371.793554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.793554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.793554 (E_RNA)
where:
Base-Base interactions energy: -113.603
where: short stacking energy: -93.637
Base-Backbone interact. energy: 3.931
local terms energy: -262.121420
where:
bonds (distance) C4'-P energy: -77.476
bonds (distance) P-C4' energy: -95.345
flat angles C4'-P-C4' energy: -60.586
flat angles P-C4'-P energy: -43.368
tors. eta vs tors. theta energy: 14.654
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: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -346.853225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.853225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.853225 (E_RNA)
where:
Base-Base interactions energy: -105.495
where: short stacking energy: -89.850
Base-Backbone interact. energy: -0.975
local terms energy: -240.383411
where:
bonds (distance) C4'-P energy: -68.499
bonds (distance) P-C4' energy: -77.750
flat angles C4'-P-C4' energy: -70.597
flat angles P-C4'-P energy: -41.696
tors. eta vs tors. theta energy: 18.158
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: 1, replica: 6
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1240.531393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.531393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.531393 (E_RNA)
where:
Base-Base interactions energy: -761.543
where: short stacking energy: -445.309
Base-Backbone interact. energy: -0.624
local terms energy: -478.364391
where:
bonds (distance) C4'-P energy: -91.606
bonds (distance) P-C4' energy: -84.616
flat angles C4'-P-C4' energy: -106.590
flat angles P-C4'-P energy: -64.897
tors. eta vs tors. theta energy: -130.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1050.432375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.432375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.432375 (E_RNA)
where:
Base-Base interactions energy: -602.616
where: short stacking energy: -358.027
Base-Backbone interact. energy: -2.276
local terms energy: -445.539950
where:
bonds (distance) C4'-P energy: -94.970
bonds (distance) P-C4' energy: -91.352
flat angles C4'-P-C4' energy: -99.156
flat angles P-C4'-P energy: -58.131
tors. eta vs tors. theta energy: -101.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -955.807854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.807854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.807854 (E_RNA)
where:
Base-Base interactions energy: -525.225
where: short stacking energy: -331.835
Base-Backbone interact. energy: -0.975
local terms energy: -429.608598
where:
bonds (distance) C4'-P energy: -86.025
bonds (distance) P-C4' energy: -93.078
flat angles C4'-P-C4' energy: -94.090
flat angles P-C4'-P energy: -67.678
tors. eta vs tors. theta energy: -88.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -741.035064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.035064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.035064 (E_RNA)
where:
Base-Base interactions energy: -367.863
where: short stacking energy: -235.836
Base-Backbone interact. energy: 1.241
local terms energy: -374.412552
where:
bonds (distance) C4'-P energy: -88.471
bonds (distance) P-C4' energy: -83.713
flat angles C4'-P-C4' energy: -86.661
flat angles P-C4'-P energy: -62.199
tors. eta vs tors. theta energy: -53.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -592.589930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.589930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.589930 (E_RNA)
where:
Base-Base interactions energy: -258.702
where: short stacking energy: -184.287
Base-Backbone interact. energy: 2.761
local terms energy: -336.649205
where:
bonds (distance) C4'-P energy: -87.711
bonds (distance) P-C4' energy: -96.546
flat angles C4'-P-C4' energy: -85.341
flat angles P-C4'-P energy: -49.281
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -583.017295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.017295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.017295 (E_RNA)
where:
Base-Base interactions energy: -261.493
where: short stacking energy: -171.576
Base-Backbone interact. energy: 0.209
local terms energy: -321.733678
where:
bonds (distance) C4'-P energy: -68.251
bonds (distance) P-C4' energy: -92.501
flat angles C4'-P-C4' energy: -84.395
flat angles P-C4'-P energy: -40.993
tors. eta vs tors. theta energy: -35.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -480.818344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.818344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.818344 (E_RNA)
where:
Base-Base interactions energy: -180.794
where: short stacking energy: -162.090
Base-Backbone interact. energy: 0.786
local terms energy: -300.809829
where:
bonds (distance) C4'-P energy: -76.399
bonds (distance) P-C4' energy: -75.621
flat angles C4'-P-C4' energy: -90.893
flat angles P-C4'-P energy: -47.488
tors. eta vs tors. theta energy: -10.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -431.599531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.599531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.599531 (E_RNA)
where:
Base-Base interactions energy: -155.387
where: short stacking energy: -104.997
Base-Backbone interact. energy: -2.399
local terms energy: -273.813008
where:
bonds (distance) C4'-P energy: -69.904
bonds (distance) P-C4' energy: -86.194
flat angles C4'-P-C4' energy: -74.132
flat angles P-C4'-P energy: -47.859
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: 9, replica: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -397.125491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.125491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.125491 (E_RNA)
where:
Base-Base interactions energy: -148.245
where: short stacking energy: -107.291
Base-Backbone interact. energy: -2.350
local terms energy: -246.530593
where:
bonds (distance) C4'-P energy: -66.312
bonds (distance) P-C4' energy: -79.289
flat angles C4'-P-C4' energy: -60.857
flat angles P-C4'-P energy: -50.739
tors. eta vs tors. theta energy: 10.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -350.493556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.493556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.493556 (E_RNA)
where:
Base-Base interactions energy: -98.243
where: short stacking energy: -91.886
Base-Backbone interact. energy: -0.219
local terms energy: -252.031186
where:
bonds (distance) C4'-P energy: -78.220
bonds (distance) P-C4' energy: -78.946
flat angles C4'-P-C4' energy: -67.498
flat angles P-C4'-P energy: -34.261
tors. eta vs tors. theta energy: 6.894
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: 1, replica: 6
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1250.254833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.254833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.254833 (E_RNA)
where:
Base-Base interactions energy: -772.888
where: short stacking energy: -453.518
Base-Backbone interact. energy: -1.446
local terms energy: -475.921683
where:
bonds (distance) C4'-P energy: -91.299
bonds (distance) P-C4' energy: -92.806
flat angles C4'-P-C4' energy: -106.216
flat angles P-C4'-P energy: -60.055
tors. eta vs tors. theta energy: -125.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1004.575655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.575655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.575655 (E_RNA)
where:
Base-Base interactions energy: -582.968
where: short stacking energy: -348.840
Base-Backbone interact. energy: -0.578
local terms energy: -421.029554
where:
bonds (distance) C4'-P energy: -83.273
bonds (distance) P-C4' energy: -88.890
flat angles C4'-P-C4' energy: -111.099
flat angles P-C4'-P energy: -62.775
tors. eta vs tors. theta energy: -74.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -931.993349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.993349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.993349 (E_RNA)
where:
Base-Base interactions energy: -508.341
where: short stacking energy: -324.642
Base-Backbone interact. energy: -1.002
local terms energy: -422.651011
where:
bonds (distance) C4'-P energy: -85.448
bonds (distance) P-C4' energy: -93.145
flat angles C4'-P-C4' energy: -91.248
flat angles P-C4'-P energy: -67.530
tors. eta vs tors. theta energy: -85.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -777.378693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.378693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.378693 (E_RNA)
where:
Base-Base interactions energy: -394.918
where: short stacking energy: -257.168
Base-Backbone interact. energy: -0.100
local terms energy: -382.360089
where:
bonds (distance) C4'-P energy: -88.288
bonds (distance) P-C4' energy: -92.795
flat angles C4'-P-C4' energy: -79.543
flat angles P-C4'-P energy: -55.652
tors. eta vs tors. theta energy: -66.082
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: 5, replica: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -684.340126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.340126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.340126 (E_RNA)
where:
Base-Base interactions energy: -318.497
where: short stacking energy: -211.833
Base-Backbone interact. energy: 1.717
local terms energy: -367.559633
where:
bonds (distance) C4'-P energy: -85.942
bonds (distance) P-C4' energy: -94.568
flat angles C4'-P-C4' energy: -83.431
flat angles P-C4'-P energy: -60.662
tors. eta vs tors. theta energy: -42.957
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: 6, replica: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -570.790361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.790361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.790361 (E_RNA)
where:
Base-Base interactions energy: -239.394
where: short stacking energy: -189.412
Base-Backbone interact. energy: 0.586
local terms energy: -331.982140
where:
bonds (distance) C4'-P energy: -76.211
bonds (distance) P-C4' energy: -89.004
flat angles C4'-P-C4' energy: -76.405
flat angles P-C4'-P energy: -53.586
tors. eta vs tors. theta energy: -36.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -485.114798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.114798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.114798 (E_RNA)
where:
Base-Base interactions energy: -188.531
where: short stacking energy: -181.055
Base-Backbone interact. energy: -0.394
local terms energy: -296.189230
where:
bonds (distance) C4'-P energy: -82.682
bonds (distance) P-C4' energy: -68.320
flat angles C4'-P-C4' energy: -69.427
flat angles P-C4'-P energy: -45.567
tors. eta vs tors. theta energy: -30.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -448.172300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.172300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.172300 (E_RNA)
where:
Base-Base interactions energy: -173.889
where: short stacking energy: -136.802
Base-Backbone interact. energy: 2.982
local terms energy: -277.265391
where:
bonds (distance) C4'-P energy: -68.413
bonds (distance) P-C4' energy: -78.414
flat angles C4'-P-C4' energy: -67.404
flat angles P-C4'-P energy: -47.475
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -381.882494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.882494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.882494 (E_RNA)
where:
Base-Base interactions energy: -135.245
where: short stacking energy: -112.611
Base-Backbone interact. energy: 4.797
local terms energy: -251.434921
where:
bonds (distance) C4'-P energy: -65.483
bonds (distance) P-C4' energy: -96.396
flat angles C4'-P-C4' energy: -58.856
flat angles P-C4'-P energy: -41.870
tors. eta vs tors. theta energy: 11.170
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: 126
Temperature: 1.350000
Total energy: -346.435468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.435468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.435468 (E_RNA)
where:
Base-Base interactions energy: -113.473
where: short stacking energy: -102.124
Base-Backbone interact. energy: 0.085
local terms energy: -233.047055
where:
bonds (distance) C4'-P energy: -65.081
bonds (distance) P-C4' energy: -65.114
flat angles C4'-P-C4' energy: -59.428
flat angles P-C4'-P energy: -54.864
tors. eta vs tors. theta energy: 11.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1254.009944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.009944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.009944 (E_RNA)
where:
Base-Base interactions energy: -764.792
where: short stacking energy: -445.150
Base-Backbone interact. energy: -0.717
local terms energy: -488.501264
where:
bonds (distance) C4'-P energy: -88.313
bonds (distance) P-C4' energy: -97.739
flat angles C4'-P-C4' energy: -98.974
flat angles P-C4'-P energy: -66.505
tors. eta vs tors. theta energy: -136.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1051.421369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.421369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.421369 (E_RNA)
where:
Base-Base interactions energy: -597.823
where: short stacking energy: -362.571
Base-Backbone interact. energy: -2.171
local terms energy: -451.427689
where:
bonds (distance) C4'-P energy: -91.411
bonds (distance) P-C4' energy: -90.586
flat angles C4'-P-C4' energy: -112.409
flat angles P-C4'-P energy: -51.103
tors. eta vs tors. theta energy: -105.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -919.395287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.395287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.395287 (E_RNA)
where:
Base-Base interactions energy: -503.503
where: short stacking energy: -326.346
Base-Backbone interact. energy: 2.131
local terms energy: -418.023315
where:
bonds (distance) C4'-P energy: -85.328
bonds (distance) P-C4' energy: -73.198
flat angles C4'-P-C4' energy: -101.888
flat angles P-C4'-P energy: -67.740
tors. eta vs tors. theta energy: -89.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -787.213447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.213447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.213447 (E_RNA)
where:
Base-Base interactions energy: -390.611
where: short stacking energy: -266.271
Base-Backbone interact. energy: -0.793
local terms energy: -395.809223
where:
bonds (distance) C4'-P energy: -97.288
bonds (distance) P-C4' energy: -99.536
flat angles C4'-P-C4' energy: -72.565
flat angles P-C4'-P energy: -54.923
tors. eta vs tors. theta energy: -71.496
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: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -644.238141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.238141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.238141 (E_RNA)
where:
Base-Base interactions energy: -317.149
where: short stacking energy: -233.569
Base-Backbone interact. energy: -1.409
local terms energy: -325.680472
where:
bonds (distance) C4'-P energy: -78.024
bonds (distance) P-C4' energy: -84.375
flat angles C4'-P-C4' energy: -74.003
flat angles P-C4'-P energy: -54.459
tors. eta vs tors. theta energy: -34.820
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: 9
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -563.034624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.034624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.034624 (E_RNA)
where:
Base-Base interactions energy: -239.350
where: short stacking energy: -175.313
Base-Backbone interact. energy: 2.653
local terms energy: -326.338135
where:
bonds (distance) C4'-P energy: -81.484
bonds (distance) P-C4' energy: -93.337
flat angles C4'-P-C4' energy: -81.071
flat angles P-C4'-P energy: -48.155
tors. eta vs tors. theta energy: -22.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -438.040500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.040500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.040500 (E_RNA)
where:
Base-Base interactions energy: -144.824
where: short stacking energy: -134.598
Base-Backbone interact. energy: -1.811
local terms energy: -291.405066
where:
bonds (distance) C4'-P energy: -77.291
bonds (distance) P-C4' energy: -84.304
flat angles C4'-P-C4' energy: -78.289
flat angles P-C4'-P energy: -51.324
tors. eta vs tors. theta energy: -0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -431.550892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.550892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.550892 (E_RNA)
where:
Base-Base interactions energy: -158.452
where: short stacking energy: -141.766
Base-Backbone interact. energy: 2.494
local terms energy: -275.592222
where:
bonds (distance) C4'-P energy: -74.402
bonds (distance) P-C4' energy: -99.780
flat angles C4'-P-C4' energy: -58.214
flat angles P-C4'-P energy: -40.572
tors. eta vs tors. theta energy: -2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -395.010837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.010837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.010837 (E_RNA)
where:
Base-Base interactions energy: -94.861
where: short stacking energy: -76.768
Base-Backbone interact. energy: -1.935
local terms energy: -298.214828
where:
bonds (distance) C4'-P energy: -86.186
bonds (distance) P-C4' energy: -85.607
flat angles C4'-P-C4' energy: -72.452
flat angles P-C4'-P energy: -58.886
tors. eta vs tors. theta energy: 4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -344.453856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.453856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.453856 (E_RNA)
where:
Base-Base interactions energy: -112.692
where: short stacking energy: -98.645
Base-Backbone interact. energy: -1.436
local terms energy: -230.325740
where:
bonds (distance) C4'-P energy: -80.348
bonds (distance) P-C4' energy: -72.840
flat angles C4'-P-C4' energy: -57.885
flat angles P-C4'-P energy: -34.212
tors. eta vs tors. theta energy: 14.959
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: 6
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1235.526047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.526047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.526047 (E_RNA)
where:
Base-Base interactions energy: -755.639
where: short stacking energy: -436.215
Base-Backbone interact. energy: -1.412
local terms energy: -478.475821
where:
bonds (distance) C4'-P energy: -92.571
bonds (distance) P-C4' energy: -103.501
flat angles C4'-P-C4' energy: -104.278
flat angles P-C4'-P energy: -48.817
tors. eta vs tors. theta energy: -129.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1045.583646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.583646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.583646 (E_RNA)
where:
Base-Base interactions energy: -607.859
where: short stacking energy: -366.365
Base-Backbone interact. energy: -2.116
local terms energy: -435.608187
where:
bonds (distance) C4'-P energy: -82.089
bonds (distance) P-C4' energy: -88.174
flat angles C4'-P-C4' energy: -104.873
flat angles P-C4'-P energy: -61.419
tors. eta vs tors. theta energy: -99.053
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: 128
Temperature: 1.000000
Total energy: -928.344798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.344798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.344798 (E_RNA)
where:
Base-Base interactions energy: -508.531
where: short stacking energy: -327.690
Base-Backbone interact. energy: -1.151
local terms energy: -418.662175
where:
bonds (distance) C4'-P energy: -75.911
bonds (distance) P-C4' energy: -94.590
flat angles C4'-P-C4' energy: -98.418
flat angles P-C4'-P energy: -57.170
tors. eta vs tors. theta energy: -92.573
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: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -768.668846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.668846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.668846 (E_RNA)
where:
Base-Base interactions energy: -404.160
where: short stacking energy: -283.588
Base-Backbone interact. energy: -2.924
local terms energy: -361.585130
where:
bonds (distance) C4'-P energy: -87.034
bonds (distance) P-C4' energy: -71.943
flat angles C4'-P-C4' energy: -85.324
flat angles P-C4'-P energy: -59.038
tors. eta vs tors. theta energy: -58.246
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: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -682.383098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.383098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.383098 (E_RNA)
where:
Base-Base interactions energy: -336.660
where: short stacking energy: -238.277
Base-Backbone interact. energy: -0.807
local terms energy: -344.916143
where:
bonds (distance) C4'-P energy: -82.912
bonds (distance) P-C4' energy: -68.707
flat angles C4'-P-C4' energy: -85.207
flat angles P-C4'-P energy: -64.010
tors. eta vs tors. theta energy: -44.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -604.826695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.826695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.826695 (E_RNA)
where:
Base-Base interactions energy: -294.331
where: short stacking energy: -192.781
Base-Backbone interact. energy: -0.636
local terms energy: -309.859900
where:
bonds (distance) C4'-P energy: -75.535
bonds (distance) P-C4' energy: -83.174
flat angles C4'-P-C4' energy: -76.189
flat angles P-C4'-P energy: -48.044
tors. eta vs tors. theta energy: -26.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -478.166858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.166858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.166858 (E_RNA)
where:
Base-Base interactions energy: -201.690
where: short stacking energy: -150.322
Base-Backbone interact. energy: -0.993
local terms energy: -275.483866
where:
bonds (distance) C4'-P energy: -87.244
bonds (distance) P-C4' energy: -75.037
flat angles C4'-P-C4' energy: -83.796
flat angles P-C4'-P energy: -33.029
tors. eta vs tors. theta energy: 3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -430.341461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.341461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.341461 (E_RNA)
where:
Base-Base interactions energy: -185.696
where: short stacking energy: -149.866
Base-Backbone interact. energy: -0.315
local terms energy: -244.330775
where:
bonds (distance) C4'-P energy: -74.308
bonds (distance) P-C4' energy: -73.222
flat angles C4'-P-C4' energy: -64.641
flat angles P-C4'-P energy: -29.560
tors. eta vs tors. theta energy: -2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -405.219584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.219584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.219584 (E_RNA)
where:
Base-Base interactions energy: -152.367
where: short stacking energy: -128.890
Base-Backbone interact. energy: -1.404
local terms energy: -251.448600
where:
bonds (distance) C4'-P energy: -72.107
bonds (distance) P-C4' energy: -82.073
flat angles C4'-P-C4' energy: -57.484
flat angles P-C4'-P energy: -40.580
tors. eta vs tors. theta energy: 0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -348.606359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.606359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.606359 (E_RNA)
where:
Base-Base interactions energy: -108.806
where: short stacking energy: -101.094
Base-Backbone interact. energy: -2.443
local terms energy: -237.356776
where:
bonds (distance) C4'-P energy: -79.987
bonds (distance) P-C4' energy: -82.162
flat angles C4'-P-C4' energy: -60.591
flat angles P-C4'-P energy: -36.207
tors. eta vs tors. theta energy: 21.591
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: 6
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1229.001857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.001857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.001857 (E_RNA)
where:
Base-Base interactions energy: -743.617
where: short stacking energy: -420.825
Base-Backbone interact. energy: -1.117
local terms energy: -484.268447
where:
bonds (distance) C4'-P energy: -96.116
bonds (distance) P-C4' energy: -85.259
flat angles C4'-P-C4' energy: -104.966
flat angles P-C4'-P energy: -70.411
tors. eta vs tors. theta energy: -127.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1035.139078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.139078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.139078 (E_RNA)
where:
Base-Base interactions energy: -605.080
where: short stacking energy: -361.261
Base-Backbone interact. energy: -0.525
local terms energy: -429.533519
where:
bonds (distance) C4'-P energy: -80.102
bonds (distance) P-C4' energy: -85.681
flat angles C4'-P-C4' energy: -91.186
flat angles P-C4'-P energy: -70.797
tors. eta vs tors. theta energy: -101.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -983.939525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.939525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.939525 (E_RNA)
where:
Base-Base interactions energy: -539.377
where: short stacking energy: -341.379
Base-Backbone interact. energy: -0.939
local terms energy: -443.623516
where:
bonds (distance) C4'-P energy: -91.592
bonds (distance) P-C4' energy: -91.815
flat angles C4'-P-C4' energy: -95.729
flat angles P-C4'-P energy: -61.338
tors. eta vs tors. theta energy: -103.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -778.201890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.201890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.201890 (E_RNA)
where:
Base-Base interactions energy: -413.567
where: short stacking energy: -266.388
Base-Backbone interact. energy: 0.849
local terms energy: -365.483448
where:
bonds (distance) C4'-P energy: -88.616
bonds (distance) P-C4' energy: -90.429
flat angles C4'-P-C4' energy: -71.888
flat angles P-C4'-P energy: -59.274
tors. eta vs tors. theta energy: -55.276
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: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -661.679515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.679515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.679515 (E_RNA)
where:
Base-Base interactions energy: -326.557
where: short stacking energy: -229.454
Base-Backbone interact. energy: 1.969
local terms energy: -337.090934
where:
bonds (distance) C4'-P energy: -79.654
bonds (distance) P-C4' energy: -91.392
flat angles C4'-P-C4' energy: -73.867
flat angles P-C4'-P energy: -48.000
tors. eta vs tors. theta energy: -44.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -621.579051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.579051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.579051 (E_RNA)
where:
Base-Base interactions energy: -284.964
where: short stacking energy: -185.791
Base-Backbone interact. energy: -0.743
local terms energy: -335.871977
where:
bonds (distance) C4'-P energy: -73.474
bonds (distance) P-C4' energy: -81.708
flat angles C4'-P-C4' energy: -84.178
flat angles P-C4'-P energy: -54.304
tors. eta vs tors. theta energy: -42.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -449.096068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.096068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.096068 (E_RNA)
where:
Base-Base interactions energy: -145.515
where: short stacking energy: -128.849
Base-Backbone interact. energy: 0.868
local terms energy: -304.449411
where:
bonds (distance) C4'-P energy: -86.904
bonds (distance) P-C4' energy: -85.444
flat angles C4'-P-C4' energy: -86.383
flat angles P-C4'-P energy: -47.643
tors. eta vs tors. theta energy: 1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -386.869480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.869480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.869480 (E_RNA)
where:
Base-Base interactions energy: -139.533
where: short stacking energy: -121.562
Base-Backbone interact. energy: -0.327
local terms energy: -247.009575
where:
bonds (distance) C4'-P energy: -78.100
bonds (distance) P-C4' energy: -81.750
flat angles C4'-P-C4' energy: -62.970
flat angles P-C4'-P energy: -36.342
tors. eta vs tors. theta energy: 12.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -374.991630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.991630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.991630 (E_RNA)
where:
Base-Base interactions energy: -112.501
where: short stacking energy: -101.832
Base-Backbone interact. energy: 1.498
local terms energy: -263.989338
where:
bonds (distance) C4'-P energy: -81.451
bonds (distance) P-C4' energy: -76.654
flat angles C4'-P-C4' energy: -64.320
flat angles P-C4'-P energy: -41.846
tors. eta vs tors. theta energy: 0.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -345.773458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.773458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.773458 (E_RNA)
where:
Base-Base interactions energy: -112.199
where: short stacking energy: -107.586
Base-Backbone interact. energy: -0.400
local terms energy: -233.174631
where:
bonds (distance) C4'-P energy: -64.858
bonds (distance) P-C4' energy: -77.332
flat angles C4'-P-C4' energy: -60.466
flat angles P-C4'-P energy: -41.922
tors. eta vs tors. theta energy: 11.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1219.434670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.434670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.434670 (E_RNA)
where:
Base-Base interactions energy: -735.583
where: short stacking energy: -426.286
Base-Backbone interact. energy: -0.227
local terms energy: -483.624498
where:
bonds (distance) C4'-P energy: -86.943
bonds (distance) P-C4' energy: -100.014
flat angles C4'-P-C4' energy: -94.941
flat angles P-C4'-P energy: -64.050
tors. eta vs tors. theta energy: -137.677
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: 2, replica: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1038.221381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.221381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.221381 (E_RNA)
where:
Base-Base interactions energy: -600.814
where: short stacking energy: -363.644
Base-Backbone interact. energy: -1.183
local terms energy: -436.224874
where:
bonds (distance) C4'-P energy: -85.944
bonds (distance) P-C4' energy: -84.534
flat angles C4'-P-C4' energy: -103.619
flat angles P-C4'-P energy: -61.804
tors. eta vs tors. theta energy: -100.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -954.058106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.058106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.058106 (E_RNA)
where:
Base-Base interactions energy: -511.722
where: short stacking energy: -322.875
Base-Backbone interact. energy: -1.166
local terms energy: -441.170875
where:
bonds (distance) C4'-P energy: -70.762
bonds (distance) P-C4' energy: -106.080
flat angles C4'-P-C4' energy: -99.579
flat angles P-C4'-P energy: -73.916
tors. eta vs tors. theta energy: -90.834
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: 4, replica: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -787.414429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.414429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.414429 (E_RNA)
where:
Base-Base interactions energy: -417.588
where: short stacking energy: -257.654
Base-Backbone interact. energy: 0.885
local terms energy: -370.710825
where:
bonds (distance) C4'-P energy: -72.662
bonds (distance) P-C4' energy: -97.357
flat angles C4'-P-C4' energy: -84.608
flat angles P-C4'-P energy: -58.316
tors. eta vs tors. theta energy: -57.768
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: 5, replica: 3
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -689.385846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.385846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.385846 (E_RNA)
where:
Base-Base interactions energy: -350.879
where: short stacking energy: -225.048
Base-Backbone interact. energy: 3.162
local terms energy: -341.669627
where:
bonds (distance) C4'-P energy: -83.976
bonds (distance) P-C4' energy: -90.447
flat angles C4'-P-C4' energy: -81.544
flat angles P-C4'-P energy: -44.548
tors. eta vs tors. theta energy: -41.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -638.489911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.489911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.489911 (E_RNA)
where:
Base-Base interactions energy: -302.055
where: short stacking energy: -192.806
Base-Backbone interact. energy: -1.151
local terms energy: -335.284788
where:
bonds (distance) C4'-P energy: -80.282
bonds (distance) P-C4' energy: -74.364
flat angles C4'-P-C4' energy: -97.653
flat angles P-C4'-P energy: -53.596
tors. eta vs tors. theta energy: -29.390
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: 7, replica: 1
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -451.811340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.811340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.811340 (E_RNA)
where:
Base-Base interactions energy: -167.406
where: short stacking energy: -122.777
Base-Backbone interact. energy: 3.133
local terms energy: -287.538540
where:
bonds (distance) C4'-P energy: -78.056
bonds (distance) P-C4' energy: -83.039
flat angles C4'-P-C4' energy: -82.314
flat angles P-C4'-P energy: -49.251
tors. eta vs tors. theta energy: 5.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -414.177766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.177766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.177766 (E_RNA)
where:
Base-Base interactions energy: -145.459
where: short stacking energy: -137.570
Base-Backbone interact. energy: 2.006
local terms energy: -270.725727
where:
bonds (distance) C4'-P energy: -71.784
bonds (distance) P-C4' energy: -76.995
flat angles C4'-P-C4' energy: -67.031
flat angles P-C4'-P energy: -45.365
tors. eta vs tors. theta energy: -9.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -387.722980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.722980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.722980 (E_RNA)
where:
Base-Base interactions energy: -139.702
where: short stacking energy: -117.660
Base-Backbone interact. energy: 1.143
local terms energy: -249.163774
where:
bonds (distance) C4'-P energy: -70.526
bonds (distance) P-C4' energy: -77.426
flat angles C4'-P-C4' energy: -73.548
flat angles P-C4'-P energy: -24.305
tors. eta vs tors. theta energy: -3.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -344.529127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.529127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.529127 (E_RNA)
where:
Base-Base interactions energy: -101.002
where: short stacking energy: -94.153
Base-Backbone interact. energy: -2.628
local terms energy: -240.898742
where:
bonds (distance) C4'-P energy: -74.205
bonds (distance) P-C4' energy: -82.448
flat angles C4'-P-C4' energy: -68.628
flat angles P-C4'-P energy: -40.742
tors. eta vs tors. theta energy: 25.124
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: 1, replica: 6
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1245.139470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.139470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.139470 (E_RNA)
where:
Base-Base interactions energy: -738.481
where: short stacking energy: -435.218
Base-Backbone interact. energy: -0.927
local terms energy: -505.731433
where:
bonds (distance) C4'-P energy: -109.871
bonds (distance) P-C4' energy: -98.432
flat angles C4'-P-C4' energy: -101.149
flat angles P-C4'-P energy: -59.388
tors. eta vs tors. theta energy: -136.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1080.828100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.828100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.828100 (E_RNA)
where:
Base-Base interactions energy: -611.774
where: short stacking energy: -382.155
Base-Backbone interact. energy: -1.056
local terms energy: -467.997805
where:
bonds (distance) C4'-P energy: -78.398
bonds (distance) P-C4' energy: -94.453
flat angles C4'-P-C4' energy: -109.884
flat angles P-C4'-P energy: -64.064
tors. eta vs tors. theta energy: -121.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -956.799501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.799501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.799501 (E_RNA)
where:
Base-Base interactions energy: -523.212
where: short stacking energy: -316.995
Base-Backbone interact. energy: -0.075
local terms energy: -433.512048
where:
bonds (distance) C4'-P energy: -81.058
bonds (distance) P-C4' energy: -97.686
flat angles C4'-P-C4' energy: -94.439
flat angles P-C4'-P energy: -68.378
tors. eta vs tors. theta energy: -91.951
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: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -788.680283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.680283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.680283 (E_RNA)
where:
Base-Base interactions energy: -393.511
where: short stacking energy: -273.567
Base-Backbone interact. energy: -1.221
local terms energy: -393.947850
where:
bonds (distance) C4'-P energy: -88.121
bonds (distance) P-C4' energy: -94.822
flat angles C4'-P-C4' energy: -93.896
flat angles P-C4'-P energy: -50.756
tors. eta vs tors. theta energy: -66.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -691.312693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.312693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.312693 (E_RNA)
where:
Base-Base interactions energy: -324.563
where: short stacking energy: -219.532
Base-Backbone interact. energy: -0.967
local terms energy: -365.782368
where:
bonds (distance) C4'-P energy: -75.851
bonds (distance) P-C4' energy: -96.276
flat angles C4'-P-C4' energy: -91.327
flat angles P-C4'-P energy: -57.214
tors. eta vs tors. theta energy: -45.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -597.296226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.296226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.296226 (E_RNA)
where:
Base-Base interactions energy: -275.012
where: short stacking energy: -208.835
Base-Backbone interact. energy: 0.422
local terms energy: -322.706115
where:
bonds (distance) C4'-P energy: -80.187
bonds (distance) P-C4' energy: -83.192
flat angles C4'-P-C4' energy: -85.694
flat angles P-C4'-P energy: -40.131
tors. eta vs tors. theta energy: -33.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -478.089118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.089118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.089118 (E_RNA)
where:
Base-Base interactions energy: -174.169
where: short stacking energy: -160.112
Base-Backbone interact. energy: 0.622
local terms energy: -304.541536
where:
bonds (distance) C4'-P energy: -83.462
bonds (distance) P-C4' energy: -93.784
flat angles C4'-P-C4' energy: -74.754
flat angles P-C4'-P energy: -42.762
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -437.793457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.793457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.793457 (E_RNA)
where:
Base-Base interactions energy: -144.441
where: short stacking energy: -132.798
Base-Backbone interact. energy: -0.102
local terms energy: -293.249871
where:
bonds (distance) C4'-P energy: -79.994
bonds (distance) P-C4' energy: -78.263
flat angles C4'-P-C4' energy: -80.865
flat angles P-C4'-P energy: -45.501
tors. eta vs tors. theta energy: -8.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -367.466159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.466159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.466159 (E_RNA)
where:
Base-Base interactions energy: -116.063
where: short stacking energy: -108.457
Base-Backbone interact. energy: 0.008
local terms energy: -251.411104
where:
bonds (distance) C4'-P energy: -71.642
bonds (distance) P-C4' energy: -86.009
flat angles C4'-P-C4' energy: -74.624
flat angles P-C4'-P energy: -30.559
tors. eta vs tors. theta energy: 11.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -358.624256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.624256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.624256 (E_RNA)
where:
Base-Base interactions energy: -112.396
where: short stacking energy: -99.701
Base-Backbone interact. energy: -0.152
local terms energy: -246.075738
where:
bonds (distance) C4'-P energy: -68.284
bonds (distance) P-C4' energy: -92.938
flat angles C4'-P-C4' energy: -64.140
flat angles P-C4'-P energy: -35.472
tors. eta vs tors. theta energy: 14.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1232.572484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.572484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.572484 (E_RNA)
where:
Base-Base interactions energy: -735.073
where: short stacking energy: -440.505
Base-Backbone interact. energy: -0.609
local terms energy: -496.890433
where:
bonds (distance) C4'-P energy: -97.176
bonds (distance) P-C4' energy: -90.690
flat angles C4'-P-C4' energy: -96.804
flat angles P-C4'-P energy: -81.796
tors. eta vs tors. theta energy: -130.426
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: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -990.358173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.358173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.358173 (E_RNA)
where:
Base-Base interactions energy: -561.535
where: short stacking energy: -342.923
Base-Backbone interact. energy: -0.356
local terms energy: -428.467604
where:
bonds (distance) C4'-P energy: -88.263
bonds (distance) P-C4' energy: -94.764
flat angles C4'-P-C4' energy: -92.409
flat angles P-C4'-P energy: -56.836
tors. eta vs tors. theta energy: -96.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -938.740651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.740651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.740651 (E_RNA)
where:
Base-Base interactions energy: -544.365
where: short stacking energy: -342.857
Base-Backbone interact. energy: 2.078
local terms energy: -396.454508
where:
bonds (distance) C4'-P energy: -72.220
bonds (distance) P-C4' energy: -86.387
flat angles C4'-P-C4' energy: -95.503
flat angles P-C4'-P energy: -59.221
tors. eta vs tors. theta energy: -83.123
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: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -770.072734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.072734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.072734 (E_RNA)
where:
Base-Base interactions energy: -395.712
where: short stacking energy: -275.068
Base-Backbone interact. energy: 1.788
local terms energy: -376.148919
where:
bonds (distance) C4'-P energy: -98.478
bonds (distance) P-C4' energy: -85.695
flat angles C4'-P-C4' energy: -85.013
flat angles P-C4'-P energy: -56.726
tors. eta vs tors. theta energy: -50.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -620.608236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.608236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.608236 (E_RNA)
where:
Base-Base interactions energy: -301.683
where: short stacking energy: -200.483
Base-Backbone interact. energy: -2.068
local terms energy: -316.857029
where:
bonds (distance) C4'-P energy: -83.981
bonds (distance) P-C4' energy: -74.739
flat angles C4'-P-C4' energy: -82.699
flat angles P-C4'-P energy: -58.596
tors. eta vs tors. theta energy: -16.842
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: 132
Temperature: 1.150000
Total energy: -625.619788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.619788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.619788 (E_RNA)
where:
Base-Base interactions energy: -306.709
where: short stacking energy: -184.086
Base-Backbone interact. energy: -0.564
local terms energy: -318.347098
where:
bonds (distance) C4'-P energy: -91.503
bonds (distance) P-C4' energy: -83.259
flat angles C4'-P-C4' energy: -80.173
flat angles P-C4'-P energy: -33.538
tors. eta vs tors. theta energy: -29.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -445.242294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.242294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.242294 (E_RNA)
where:
Base-Base interactions energy: -165.011
where: short stacking energy: -129.169
Base-Backbone interact. energy: 2.850
local terms energy: -283.080982
where:
bonds (distance) C4'-P energy: -89.092
bonds (distance) P-C4' energy: -81.251
flat angles C4'-P-C4' energy: -69.799
flat angles P-C4'-P energy: -52.570
tors. eta vs tors. theta energy: 9.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -416.100569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.100569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.100569 (E_RNA)
where:
Base-Base interactions energy: -138.532
where: short stacking energy: -121.790
Base-Backbone interact. energy: -1.467
local terms energy: -276.101724
where:
bonds (distance) C4'-P energy: -84.365
bonds (distance) P-C4' energy: -77.413
flat angles C4'-P-C4' energy: -77.617
flat angles P-C4'-P energy: -32.830
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: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -398.052612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.052612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.052612 (E_RNA)
where:
Base-Base interactions energy: -141.241
where: short stacking energy: -104.299
Base-Backbone interact. energy: -1.338
local terms energy: -255.473718
where:
bonds (distance) C4'-P energy: -75.092
bonds (distance) P-C4' energy: -87.897
flat angles C4'-P-C4' energy: -65.485
flat angles P-C4'-P energy: -31.926
tors. eta vs tors. theta energy: 4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -356.204014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.204014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.204014 (E_RNA)
where:
Base-Base interactions energy: -136.223
where: short stacking energy: -103.892
Base-Backbone interact. energy: -1.882
local terms energy: -218.099686
where:
bonds (distance) C4'-P energy: -82.044
bonds (distance) P-C4' energy: -64.978
flat angles C4'-P-C4' energy: -78.881
flat angles P-C4'-P energy: -24.517
tors. eta vs tors. theta energy: 32.321
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: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1263.539581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.539581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.539581 (E_RNA)
where:
Base-Base interactions energy: -751.763
where: short stacking energy: -430.938
Base-Backbone interact. energy: -2.541
local terms energy: -509.235706
where:
bonds (distance) C4'-P energy: -99.541
bonds (distance) P-C4' energy: -99.280
flat angles C4'-P-C4' energy: -107.880
flat angles P-C4'-P energy: -67.064
tors. eta vs tors. theta energy: -135.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1010.046791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.046791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.046791 (E_RNA)
where:
Base-Base interactions energy: -572.218
where: short stacking energy: -352.983
Base-Backbone interact. energy: -0.709
local terms energy: -437.119634
where:
bonds (distance) C4'-P energy: -92.943
bonds (distance) P-C4' energy: -89.588
flat angles C4'-P-C4' energy: -102.765
flat angles P-C4'-P energy: -58.031
tors. eta vs tors. theta energy: -93.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -958.196779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.196779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.196779 (E_RNA)
where:
Base-Base interactions energy: -533.284
where: short stacking energy: -315.750
Base-Backbone interact. energy: -0.101
local terms energy: -424.811532
where:
bonds (distance) C4'-P energy: -87.841
bonds (distance) P-C4' energy: -101.608
flat angles C4'-P-C4' energy: -86.954
flat angles P-C4'-P energy: -62.480
tors. eta vs tors. theta energy: -85.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -761.527027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.527027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.527027 (E_RNA)
where:
Base-Base interactions energy: -395.000
where: short stacking energy: -236.410
Base-Backbone interact. energy: -1.420
local terms energy: -365.107310
where:
bonds (distance) C4'-P energy: -85.630
bonds (distance) P-C4' energy: -95.484
flat angles C4'-P-C4' energy: -82.088
flat angles P-C4'-P energy: -54.969
tors. eta vs tors. theta energy: -46.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -617.410814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.410814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.410814 (E_RNA)
where:
Base-Base interactions energy: -281.060
where: short stacking energy: -203.846
Base-Backbone interact. energy: -0.151
local terms energy: -336.199654
where:
bonds (distance) C4'-P energy: -73.870
bonds (distance) P-C4' energy: -85.238
flat angles C4'-P-C4' energy: -83.450
flat angles P-C4'-P energy: -49.461
tors. eta vs tors. theta energy: -44.180
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: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -608.566647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.566647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.566647 (E_RNA)
where:
Base-Base interactions energy: -283.491
where: short stacking energy: -180.140
Base-Backbone interact. energy: -0.345
local terms energy: -324.730101
where:
bonds (distance) C4'-P energy: -77.239
bonds (distance) P-C4' energy: -81.732
flat angles C4'-P-C4' energy: -97.910
flat angles P-C4'-P energy: -43.242
tors. eta vs tors. theta energy: -24.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -453.302499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.302499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.302499 (E_RNA)
where:
Base-Base interactions energy: -146.287
where: short stacking energy: -130.913
Base-Backbone interact. energy: -1.276
local terms energy: -305.739632
where:
bonds (distance) C4'-P energy: -85.990
bonds (distance) P-C4' energy: -102.457
flat angles C4'-P-C4' energy: -55.186
flat angles P-C4'-P energy: -51.622
tors. eta vs tors. theta energy: -10.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -419.078524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.078524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.078524 (E_RNA)
where:
Base-Base interactions energy: -137.158
where: short stacking energy: -110.651
Base-Backbone interact. energy: 1.122
local terms energy: -283.042949
where:
bonds (distance) C4'-P energy: -88.101
bonds (distance) P-C4' energy: -94.436
flat angles C4'-P-C4' energy: -71.514
flat angles P-C4'-P energy: -32.047
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: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -367.247852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.247852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.247852 (E_RNA)
where:
Base-Base interactions energy: -129.529
where: short stacking energy: -110.389
Base-Backbone interact. energy: -2.311
local terms energy: -235.407946
where:
bonds (distance) C4'-P energy: -59.208
bonds (distance) P-C4' energy: -74.016
flat angles C4'-P-C4' energy: -64.091
flat angles P-C4'-P energy: -41.513
tors. eta vs tors. theta energy: 3.419
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: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -366.569225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.569225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.569225 (E_RNA)
where:
Base-Base interactions energy: -128.185
where: short stacking energy: -114.490
Base-Backbone interact. energy: -0.161
local terms energy: -238.223749
where:
bonds (distance) C4'-P energy: -57.342
bonds (distance) P-C4' energy: -86.427
flat angles C4'-P-C4' energy: -64.924
flat angles P-C4'-P energy: -37.599
tors. eta vs tors. theta energy: 8.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1243.363433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.363433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.363433 (E_RNA)
where:
Base-Base interactions energy: -747.781
where: short stacking energy: -458.843
Base-Backbone interact. energy: -0.463
local terms energy: -495.118828
where:
bonds (distance) C4'-P energy: -95.220
bonds (distance) P-C4' energy: -92.958
flat angles C4'-P-C4' energy: -109.729
flat angles P-C4'-P energy: -57.208
tors. eta vs tors. theta energy: -140.004
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: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1008.335355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.335355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.335355 (E_RNA)
where:
Base-Base interactions energy: -555.982
where: short stacking energy: -345.134
Base-Backbone interact. energy: 0.046
local terms energy: -452.399867
where:
bonds (distance) C4'-P energy: -94.403
bonds (distance) P-C4' energy: -96.302
flat angles C4'-P-C4' energy: -94.980
flat angles P-C4'-P energy: -61.569
tors. eta vs tors. theta energy: -105.145
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: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -956.807724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.807724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.807724 (E_RNA)
where:
Base-Base interactions energy: -562.272
where: short stacking energy: -337.380
Base-Backbone interact. energy: -1.796
local terms energy: -392.739354
where:
bonds (distance) C4'-P energy: -83.686
bonds (distance) P-C4' energy: -83.795
flat angles C4'-P-C4' energy: -91.886
flat angles P-C4'-P energy: -60.051
tors. eta vs tors. theta energy: -73.323
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: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -793.357715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.357715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.357715 (E_RNA)
where:
Base-Base interactions energy: -404.364
where: short stacking energy: -256.039
Base-Backbone interact. energy: -0.400
local terms energy: -388.593976
where:
bonds (distance) C4'-P energy: -93.757
bonds (distance) P-C4' energy: -83.579
flat angles C4'-P-C4' energy: -98.147
flat angles P-C4'-P energy: -52.196
tors. eta vs tors. theta energy: -60.914
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: 9
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -596.084096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.084096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.084096 (E_RNA)
where:
Base-Base interactions energy: -270.758
where: short stacking energy: -188.824
Base-Backbone interact. energy: 1.268
local terms energy: -326.593791
where:
bonds (distance) C4'-P energy: -86.622
bonds (distance) P-C4' energy: -96.044
flat angles C4'-P-C4' energy: -71.106
flat angles P-C4'-P energy: -42.166
tors. eta vs tors. theta energy: -30.655
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: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -575.202247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.202247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.202247 (E_RNA)
where:
Base-Base interactions energy: -259.688
where: short stacking energy: -185.338
Base-Backbone interact. energy: -0.383
local terms energy: -315.131199
where:
bonds (distance) C4'-P energy: -78.380
bonds (distance) P-C4' energy: -87.177
flat angles C4'-P-C4' energy: -85.938
flat angles P-C4'-P energy: -46.667
tors. eta vs tors. theta energy: -16.968
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: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -464.520972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.520972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.520972 (E_RNA)
where:
Base-Base interactions energy: -153.651
where: short stacking energy: -144.238
Base-Backbone interact. energy: -1.011
local terms energy: -309.859332
where:
bonds (distance) C4'-P energy: -69.744
bonds (distance) P-C4' energy: -88.731
flat angles C4'-P-C4' energy: -86.159
flat angles P-C4'-P energy: -43.837
tors. eta vs tors. theta energy: -21.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -425.937519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.937519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.937519 (E_RNA)
where:
Base-Base interactions energy: -147.739
where: short stacking energy: -135.822
Base-Backbone interact. energy: 0.326
local terms energy: -278.523983
where:
bonds (distance) C4'-P energy: -67.517
bonds (distance) P-C4' energy: -87.656
flat angles C4'-P-C4' energy: -81.781
flat angles P-C4'-P energy: -40.845
tors. eta vs tors. theta energy: -0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -366.972861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.972861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.972861 (E_RNA)
where:
Base-Base interactions energy: -125.015
where: short stacking energy: -105.299
Base-Backbone interact. energy: 0.444
local terms energy: -242.402331
where:
bonds (distance) C4'-P energy: -63.186
bonds (distance) P-C4' energy: -80.993
flat angles C4'-P-C4' energy: -67.446
flat angles P-C4'-P energy: -42.263
tors. eta vs tors. theta energy: 11.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -368.306893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.306893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.306893 (E_RNA)
where:
Base-Base interactions energy: -125.640
where: short stacking energy: -101.677
Base-Backbone interact. energy: -1.055
local terms energy: -241.611563
where:
bonds (distance) C4'-P energy: -79.418
bonds (distance) P-C4' energy: -81.748
flat angles C4'-P-C4' energy: -67.291
flat angles P-C4'-P energy: -24.912
tors. eta vs tors. theta energy: 11.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1244.525264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.525264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.525264 (E_RNA)
where:
Base-Base interactions energy: -781.157
where: short stacking energy: -446.142
Base-Backbone interact. energy: -1.603
local terms energy: -461.765562
where:
bonds (distance) C4'-P energy: -86.309
bonds (distance) P-C4' energy: -86.001
flat angles C4'-P-C4' energy: -98.114
flat angles P-C4'-P energy: -57.253
tors. eta vs tors. theta energy: -134.089
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: 135
Temperature: 0.950000
Total energy: -1038.415744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.415744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.415744 (E_RNA)
where:
Base-Base interactions energy: -605.022
where: short stacking energy: -347.409
Base-Backbone interact. energy: 3.840
local terms energy: -437.233687
where:
bonds (distance) C4'-P energy: -95.886
bonds (distance) P-C4' energy: -83.680
flat angles C4'-P-C4' energy: -93.944
flat angles P-C4'-P energy: -70.352
tors. eta vs tors. theta energy: -93.372
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: 7
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -936.536507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.536507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.536507 (E_RNA)
where:
Base-Base interactions energy: -507.249
where: short stacking energy: -298.661
Base-Backbone interact. energy: 0.806
local terms energy: -430.093098
where:
bonds (distance) C4'-P energy: -85.895
bonds (distance) P-C4' energy: -103.837
flat angles C4'-P-C4' energy: -96.236
flat angles P-C4'-P energy: -62.263
tors. eta vs tors. theta energy: -81.861
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: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -825.235854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.235854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.235854 (E_RNA)
where:
Base-Base interactions energy: -456.444
where: short stacking energy: -295.135
Base-Backbone interact. energy: -1.027
local terms energy: -367.765261
where:
bonds (distance) C4'-P energy: -78.189
bonds (distance) P-C4' energy: -82.606
flat angles C4'-P-C4' energy: -79.332
flat angles P-C4'-P energy: -61.191
tors. eta vs tors. theta energy: -66.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -649.379751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.379751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.379751 (E_RNA)
where:
Base-Base interactions energy: -301.865
where: short stacking energy: -202.486
Base-Backbone interact. energy: 1.133
local terms energy: -348.647560
where:
bonds (distance) C4'-P energy: -92.474
bonds (distance) P-C4' energy: -80.164
flat angles C4'-P-C4' energy: -77.864
flat angles P-C4'-P energy: -69.027
tors. eta vs tors. theta energy: -29.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -645.895339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.895339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.895339 (E_RNA)
where:
Base-Base interactions energy: -324.199
where: short stacking energy: -223.205
Base-Backbone interact. energy: -1.511
local terms energy: -320.185537
where:
bonds (distance) C4'-P energy: -80.313
bonds (distance) P-C4' energy: -84.508
flat angles C4'-P-C4' energy: -82.645
flat angles P-C4'-P energy: -40.969
tors. eta vs tors. theta energy: -31.751
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: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -451.398186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.398186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.398186 (E_RNA)
where:
Base-Base interactions energy: -174.940
where: short stacking energy: -139.833
Base-Backbone interact. energy: -1.953
local terms energy: -274.505038
where:
bonds (distance) C4'-P energy: -76.947
bonds (distance) P-C4' energy: -87.771
flat angles C4'-P-C4' energy: -72.593
flat angles P-C4'-P energy: -28.673
tors. eta vs tors. theta energy: -8.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -403.833370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.833370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.833370 (E_RNA)
where:
Base-Base interactions energy: -148.007
where: short stacking energy: -137.995
Base-Backbone interact. energy: 2.256
local terms energy: -258.081860
where:
bonds (distance) C4'-P energy: -75.407
bonds (distance) P-C4' energy: -84.720
flat angles C4'-P-C4' energy: -67.240
flat angles P-C4'-P energy: -32.566
tors. eta vs tors. theta energy: 1.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -360.563425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.563425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.563425 (E_RNA)
where:
Base-Base interactions energy: -107.390
where: short stacking energy: -100.684
Base-Backbone interact. energy: 2.797
local terms energy: -255.970912
where:
bonds (distance) C4'-P energy: -71.984
bonds (distance) P-C4' energy: -68.486
flat angles C4'-P-C4' energy: -79.868
flat angles P-C4'-P energy: -56.768
tors. eta vs tors. theta energy: 21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -362.164134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.164134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.164134 (E_RNA)
where:
Base-Base interactions energy: -108.389
where: short stacking energy: -98.184
Base-Backbone interact. energy: 2.087
local terms energy: -255.861549
where:
bonds (distance) C4'-P energy: -86.342
bonds (distance) P-C4' energy: -76.107
flat angles C4'-P-C4' energy: -51.594
flat angles P-C4'-P energy: -45.458
tors. eta vs tors. theta energy: 3.640
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: 6
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1230.559849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.559849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.559849 (E_RNA)
where:
Base-Base interactions energy: -739.043
where: short stacking energy: -440.181
Base-Backbone interact. energy: -1.050
local terms energy: -490.466621
where:
bonds (distance) C4'-P energy: -90.907
bonds (distance) P-C4' energy: -96.126
flat angles C4'-P-C4' energy: -101.969
flat angles P-C4'-P energy: -69.865
tors. eta vs tors. theta energy: -131.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1036.758809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.758809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.758809 (E_RNA)
where:
Base-Base interactions energy: -602.344
where: short stacking energy: -352.475
Base-Backbone interact. energy: -0.071
local terms energy: -434.343247
where:
bonds (distance) C4'-P energy: -81.613
bonds (distance) P-C4' energy: -94.708
flat angles C4'-P-C4' energy: -98.884
flat angles P-C4'-P energy: -59.334
tors. eta vs tors. theta energy: -99.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -916.246592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.246592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.246592 (E_RNA)
where:
Base-Base interactions energy: -506.753
where: short stacking energy: -313.863
Base-Backbone interact. energy: -1.651
local terms energy: -407.842586
where:
bonds (distance) C4'-P energy: -87.228
bonds (distance) P-C4' energy: -86.377
flat angles C4'-P-C4' energy: -96.538
flat angles P-C4'-P energy: -56.953
tors. eta vs tors. theta energy: -80.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -779.136689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.136689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.136689 (E_RNA)
where:
Base-Base interactions energy: -394.054
where: short stacking energy: -243.879
Base-Backbone interact. energy: -2.013
local terms energy: -383.070459
where:
bonds (distance) C4'-P energy: -94.811
bonds (distance) P-C4' energy: -93.535
flat angles C4'-P-C4' energy: -91.997
flat angles P-C4'-P energy: -55.455
tors. eta vs tors. theta energy: -47.273
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: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -695.031098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.031098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.031098 (E_RNA)
where:
Base-Base interactions energy: -337.599
where: short stacking energy: -215.608
Base-Backbone interact. energy: 2.235
local terms energy: -359.666724
where:
bonds (distance) C4'-P energy: -71.283
bonds (distance) P-C4' energy: -93.365
flat angles C4'-P-C4' energy: -80.523
flat angles P-C4'-P energy: -61.660
tors. eta vs tors. theta energy: -52.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -601.169758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.169758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.169758 (E_RNA)
where:
Base-Base interactions energy: -274.372
where: short stacking energy: -181.615
Base-Backbone interact. energy: -1.244
local terms energy: -325.554074
where:
bonds (distance) C4'-P energy: -89.127
bonds (distance) P-C4' energy: -87.591
flat angles C4'-P-C4' energy: -76.501
flat angles P-C4'-P energy: -54.132
tors. eta vs tors. theta energy: -18.202
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: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -447.365661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.365661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.365661 (E_RNA)
where:
Base-Base interactions energy: -142.008
where: short stacking energy: -114.209
Base-Backbone interact. energy: -1.067
local terms energy: -304.290773
where:
bonds (distance) C4'-P energy: -80.285
bonds (distance) P-C4' energy: -91.430
flat angles C4'-P-C4' energy: -79.356
flat angles P-C4'-P energy: -55.834
tors. eta vs tors. theta energy: 2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -405.724477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.724477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.724477 (E_RNA)
where:
Base-Base interactions energy: -130.655
where: short stacking energy: -116.375
Base-Backbone interact. energy: 5.398
local terms energy: -280.468234
where:
bonds (distance) C4'-P energy: -78.251
bonds (distance) P-C4' energy: -86.251
flat angles C4'-P-C4' energy: -74.671
flat angles P-C4'-P energy: -49.484
tors. eta vs tors. theta energy: 8.189
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: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -385.746923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.746923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.746923 (E_RNA)
where:
Base-Base interactions energy: -107.143
where: short stacking energy: -83.988
Base-Backbone interact. energy: 1.712
local terms energy: -280.316698
where:
bonds (distance) C4'-P energy: -94.433
bonds (distance) P-C4' energy: -85.170
flat angles C4'-P-C4' energy: -59.715
flat angles P-C4'-P energy: -53.558
tors. eta vs tors. theta energy: 12.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -336.440415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.440415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.440415 (E_RNA)
where:
Base-Base interactions energy: -107.907
where: short stacking energy: -89.157
Base-Backbone interact. energy: -1.354
local terms energy: -227.179764
where:
bonds (distance) C4'-P energy: -74.072
bonds (distance) P-C4' energy: -73.857
flat angles C4'-P-C4' energy: -73.588
flat angles P-C4'-P energy: -31.152
tors. eta vs tors. theta energy: 25.489
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: 6
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1212.227108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.227108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.227108 (E_RNA)
where:
Base-Base interactions energy: -727.533
where: short stacking energy: -434.476
Base-Backbone interact. energy: -0.610
local terms energy: -484.084447
where:
bonds (distance) C4'-P energy: -90.586
bonds (distance) P-C4' energy: -93.188
flat angles C4'-P-C4' energy: -102.597
flat angles P-C4'-P energy: -72.685
tors. eta vs tors. theta energy: -125.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1047.574585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.574585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.574585 (E_RNA)
where:
Base-Base interactions energy: -631.781
where: short stacking energy: -389.185
Base-Backbone interact. energy: -0.451
local terms energy: -415.342479
where:
bonds (distance) C4'-P energy: -93.432
bonds (distance) P-C4' energy: -70.178
flat angles C4'-P-C4' energy: -96.766
flat angles P-C4'-P energy: -45.622
tors. eta vs tors. theta energy: -109.344
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: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -929.854650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.854650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.854650 (E_RNA)
where:
Base-Base interactions energy: -530.845
where: short stacking energy: -330.706
Base-Backbone interact. energy: -1.851
local terms energy: -397.159179
where:
bonds (distance) C4'-P energy: -81.653
bonds (distance) P-C4' energy: -88.080
flat angles C4'-P-C4' energy: -86.350
flat angles P-C4'-P energy: -63.540
tors. eta vs tors. theta energy: -77.535
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: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -734.756730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.756730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.756730 (E_RNA)
where:
Base-Base interactions energy: -365.744
where: short stacking energy: -247.043
Base-Backbone interact. energy: 5.484
local terms energy: -374.496936
where:
bonds (distance) C4'-P energy: -88.107
bonds (distance) P-C4' energy: -84.534
flat angles C4'-P-C4' energy: -83.983
flat angles P-C4'-P energy: -64.701
tors. eta vs tors. theta energy: -53.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -688.452789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.452789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.452789 (E_RNA)
where:
Base-Base interactions energy: -332.916
where: short stacking energy: -218.426
Base-Backbone interact. energy: 2.667
local terms energy: -358.203635
where:
bonds (distance) C4'-P energy: -88.127
bonds (distance) P-C4' energy: -78.463
flat angles C4'-P-C4' energy: -84.667
flat angles P-C4'-P energy: -54.449
tors. eta vs tors. theta energy: -52.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -566.019234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.019234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.019234 (E_RNA)
where:
Base-Base interactions energy: -238.106
where: short stacking energy: -177.835
Base-Backbone interact. energy: -1.075
local terms energy: -326.838606
where:
bonds (distance) C4'-P energy: -85.932
bonds (distance) P-C4' energy: -92.706
flat angles C4'-P-C4' energy: -84.262
flat angles P-C4'-P energy: -37.969
tors. eta vs tors. theta energy: -25.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -471.722011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.722011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.722011 (E_RNA)
where:
Base-Base interactions energy: -161.662
where: short stacking energy: -137.651
Base-Backbone interact. energy: -1.688
local terms energy: -308.372146
where:
bonds (distance) C4'-P energy: -74.063
bonds (distance) P-C4' energy: -93.567
flat angles C4'-P-C4' energy: -70.444
flat angles P-C4'-P energy: -57.114
tors. eta vs tors. theta energy: -13.184
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: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -403.394895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.394895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.394895 (E_RNA)
where:
Base-Base interactions energy: -134.490
where: short stacking energy: -110.992
Base-Backbone interact. energy: 2.085
local terms energy: -270.989186
where:
bonds (distance) C4'-P energy: -77.309
bonds (distance) P-C4' energy: -92.667
flat angles C4'-P-C4' energy: -67.956
flat angles P-C4'-P energy: -43.579
tors. eta vs tors. theta energy: 10.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -402.890051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.890051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.890051 (E_RNA)
where:
Base-Base interactions energy: -143.956
where: short stacking energy: -130.371
Base-Backbone interact. energy: 0.404
local terms energy: -259.338379
where:
bonds (distance) C4'-P energy: -76.160
bonds (distance) P-C4' energy: -80.626
flat angles C4'-P-C4' energy: -67.903
flat angles P-C4'-P energy: -36.877
tors. eta vs tors. theta energy: 2.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -356.466041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.466041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.466041 (E_RNA)
where:
Base-Base interactions energy: -105.847
where: short stacking energy: -93.098
Base-Backbone interact. energy: 6.554
local terms energy: -257.173231
where:
bonds (distance) C4'-P energy: -64.529
bonds (distance) P-C4' energy: -81.485
flat angles C4'-P-C4' energy: -74.007
flat angles P-C4'-P energy: -56.038
tors. eta vs tors. theta energy: 18.886
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: 6
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1231.879281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.879281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.879281 (E_RNA)
where:
Base-Base interactions energy: -751.551
where: short stacking energy: -413.707
Base-Backbone interact. energy: 0.625
local terms energy: -480.953406
where:
bonds (distance) C4'-P energy: -96.748
bonds (distance) P-C4' energy: -87.429
flat angles C4'-P-C4' energy: -102.117
flat angles P-C4'-P energy: -67.116
tors. eta vs tors. theta energy: -127.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1034.115361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.115361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.115361 (E_RNA)
where:
Base-Base interactions energy: -593.994
where: short stacking energy: -366.851
Base-Backbone interact. energy: -2.414
local terms energy: -437.707243
where:
bonds (distance) C4'-P energy: -79.431
bonds (distance) P-C4' energy: -96.724
flat angles C4'-P-C4' energy: -92.151
flat angles P-C4'-P energy: -63.344
tors. eta vs tors. theta energy: -106.057
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: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -938.976524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.976524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.976524 (E_RNA)
where:
Base-Base interactions energy: -536.724
where: short stacking energy: -318.494
Base-Backbone interact. energy: -0.636
local terms energy: -401.616889
where:
bonds (distance) C4'-P energy: -88.454
bonds (distance) P-C4' energy: -83.690
flat angles C4'-P-C4' energy: -87.122
flat angles P-C4'-P energy: -66.593
tors. eta vs tors. theta energy: -75.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -697.995868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.995868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.995868 (E_RNA)
where:
Base-Base interactions energy: -344.056
where: short stacking energy: -229.881
Base-Backbone interact. energy: 3.902
local terms energy: -357.841238
where:
bonds (distance) C4'-P energy: -77.501
bonds (distance) P-C4' energy: -90.729
flat angles C4'-P-C4' energy: -91.064
flat angles P-C4'-P energy: -57.619
tors. eta vs tors. theta energy: -40.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -708.926046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.926046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.926046 (E_RNA)
where:
Base-Base interactions energy: -385.160
where: short stacking energy: -245.290
Base-Backbone interact. energy: 0.333
local terms energy: -324.099035
where:
bonds (distance) C4'-P energy: -82.529
bonds (distance) P-C4' energy: -83.037
flat angles C4'-P-C4' energy: -72.434
flat angles P-C4'-P energy: -44.435
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: 6, replica: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -649.232951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.232951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.232951 (E_RNA)
where:
Base-Base interactions energy: -300.699
where: short stacking energy: -215.447
Base-Backbone interact. energy: 1.633
local terms energy: -350.167070
where:
bonds (distance) C4'-P energy: -87.002
bonds (distance) P-C4' energy: -93.236
flat angles C4'-P-C4' energy: -80.447
flat angles P-C4'-P energy: -54.585
tors. eta vs tors. theta energy: -34.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -507.554344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.554344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.554344 (E_RNA)
where:
Base-Base interactions energy: -207.733
where: short stacking energy: -162.182
Base-Backbone interact. energy: -1.289
local terms energy: -298.532262
where:
bonds (distance) C4'-P energy: -65.708
bonds (distance) P-C4' energy: -89.349
flat angles C4'-P-C4' energy: -69.902
flat angles P-C4'-P energy: -57.898
tors. eta vs tors. theta energy: -15.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -420.392397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.392397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.392397 (E_RNA)
where:
Base-Base interactions energy: -159.660
where: short stacking energy: -134.463
Base-Backbone interact. energy: 1.373
local terms energy: -262.105586
where:
bonds (distance) C4'-P energy: -90.217
bonds (distance) P-C4' energy: -80.409
flat angles C4'-P-C4' energy: -56.143
flat angles P-C4'-P energy: -45.302
tors. eta vs tors. theta energy: 9.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -375.698815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.698815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.698815 (E_RNA)
where:
Base-Base interactions energy: -129.208
where: short stacking energy: -102.354
Base-Backbone interact. energy: 0.406
local terms energy: -246.896744
where:
bonds (distance) C4'-P energy: -80.409
bonds (distance) P-C4' energy: -71.018
flat angles C4'-P-C4' energy: -68.973
flat angles P-C4'-P energy: -38.722
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: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -340.217578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.217578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.217578 (E_RNA)
where:
Base-Base interactions energy: -92.128
where: short stacking energy: -81.057
Base-Backbone interact. energy: -1.701
local terms energy: -246.389225
where:
bonds (distance) C4'-P energy: -85.956
bonds (distance) P-C4' energy: -85.569
flat angles C4'-P-C4' energy: -55.446
flat angles P-C4'-P energy: -32.321
tors. eta vs tors. theta energy: 12.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1243.055957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.055957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.055957 (E_RNA)
where:
Base-Base interactions energy: -754.501
where: short stacking energy: -433.963
Base-Backbone interact. energy: -1.271
local terms energy: -487.284408
where:
bonds (distance) C4'-P energy: -104.865
bonds (distance) P-C4' energy: -91.550
flat angles C4'-P-C4' energy: -106.573
flat angles P-C4'-P energy: -52.415
tors. eta vs tors. theta energy: -131.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1047.780917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.780917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.780917 (E_RNA)
where:
Base-Base interactions energy: -606.307
where: short stacking energy: -375.243
Base-Backbone interact. energy: -0.533
local terms energy: -440.941393
where:
bonds (distance) C4'-P energy: -78.957
bonds (distance) P-C4' energy: -85.590
flat angles C4'-P-C4' energy: -87.153
flat angles P-C4'-P energy: -79.358
tors. eta vs tors. theta energy: -109.884
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: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -920.220271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.220271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.220271 (E_RNA)
where:
Base-Base interactions energy: -535.301
where: short stacking energy: -315.736
Base-Backbone interact. energy: 0.318
local terms energy: -385.237310
where:
bonds (distance) C4'-P energy: -80.387
bonds (distance) P-C4' energy: -85.071
flat angles C4'-P-C4' energy: -85.337
flat angles P-C4'-P energy: -68.733
tors. eta vs tors. theta energy: -65.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -740.773461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.773461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.773461 (E_RNA)
where:
Base-Base interactions energy: -377.134
where: short stacking energy: -237.884
Base-Backbone interact. energy: -1.304
local terms energy: -362.335764
where:
bonds (distance) C4'-P energy: -85.291
bonds (distance) P-C4' energy: -95.554
flat angles C4'-P-C4' energy: -87.343
flat angles P-C4'-P energy: -51.363
tors. eta vs tors. theta energy: -42.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -688.182106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.182106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.182106 (E_RNA)
where:
Base-Base interactions energy: -338.288
where: short stacking energy: -212.585
Base-Backbone interact. energy: -1.454
local terms energy: -348.440099
where:
bonds (distance) C4'-P energy: -74.585
bonds (distance) P-C4' energy: -79.939
flat angles C4'-P-C4' energy: -91.933
flat angles P-C4'-P energy: -53.449
tors. eta vs tors. theta energy: -48.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -626.088604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.088604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.088604 (E_RNA)
where:
Base-Base interactions energy: -318.356
where: short stacking energy: -203.140
Base-Backbone interact. energy: 0.277
local terms energy: -308.009177
where:
bonds (distance) C4'-P energy: -75.097
bonds (distance) P-C4' energy: -88.180
flat angles C4'-P-C4' energy: -82.276
flat angles P-C4'-P energy: -46.123
tors. eta vs tors. theta energy: -16.334
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: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -428.514739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.514739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.514739 (E_RNA)
where:
Base-Base interactions energy: -154.496
where: short stacking energy: -122.400
Base-Backbone interact. energy: -1.061
local terms energy: -272.958268
where:
bonds (distance) C4'-P energy: -84.147
bonds (distance) P-C4' energy: -72.743
flat angles C4'-P-C4' energy: -71.356
flat angles P-C4'-P energy: -31.974
tors. eta vs tors. theta energy: -12.738
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: 5
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -404.055109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.055109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.055109 (E_RNA)
where:
Base-Base interactions energy: -137.027
where: short stacking energy: -129.089
Base-Backbone interact. energy: -1.303
local terms energy: -265.725230
where:
bonds (distance) C4'-P energy: -78.833
bonds (distance) P-C4' energy: -86.449
flat angles C4'-P-C4' energy: -63.678
flat angles P-C4'-P energy: -39.700
tors. eta vs tors. theta energy: 2.934
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: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -391.420624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.420624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.420624 (E_RNA)
where:
Base-Base interactions energy: -137.413
where: short stacking energy: -107.458
Base-Backbone interact. energy: -0.018
local terms energy: -253.989942
where:
bonds (distance) C4'-P energy: -77.953
bonds (distance) P-C4' energy: -80.592
flat angles C4'-P-C4' energy: -81.993
flat angles P-C4'-P energy: -21.379
tors. eta vs tors. theta energy: 7.927
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: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -375.719134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.719134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.719134 (E_RNA)
where:
Base-Base interactions energy: -114.230
where: short stacking energy: -96.815
Base-Backbone interact. energy: -1.105
local terms energy: -260.383844
where:
bonds (distance) C4'-P energy: -70.909
bonds (distance) P-C4' energy: -79.709
flat angles C4'-P-C4' energy: -82.615
flat angles P-C4'-P energy: -38.670
tors. eta vs tors. theta energy: 11.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1232.236977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.236977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.236977 (E_RNA)
where:
Base-Base interactions energy: -733.000
where: short stacking energy: -438.875
Base-Backbone interact. energy: -1.080
local terms energy: -498.156250
where:
bonds (distance) C4'-P energy: -91.820
bonds (distance) P-C4' energy: -100.265
flat angles C4'-P-C4' energy: -98.966
flat angles P-C4'-P energy: -75.015
tors. eta vs tors. theta energy: -132.090
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: 140
Temperature: 0.950000
Total energy: -1016.869350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.869350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.869350 (E_RNA)
where:
Base-Base interactions energy: -573.854
where: short stacking energy: -346.885
Base-Backbone interact. energy: -2.984
local terms energy: -440.031663
where:
bonds (distance) C4'-P energy: -89.270
bonds (distance) P-C4' energy: -91.205
flat angles C4'-P-C4' energy: -101.574
flat angles P-C4'-P energy: -58.366
tors. eta vs tors. theta energy: -99.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -907.892869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.892869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.892869 (E_RNA)
where:
Base-Base interactions energy: -507.509
where: short stacking energy: -324.126
Base-Backbone interact. energy: 1.041
local terms energy: -401.424571
where:
bonds (distance) C4'-P energy: -91.942
bonds (distance) P-C4' energy: -79.556
flat angles C4'-P-C4' energy: -92.752
flat angles P-C4'-P energy: -61.605
tors. eta vs tors. theta energy: -75.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -710.868195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.868195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.868195 (E_RNA)
where:
Base-Base interactions energy: -340.916
where: short stacking energy: -216.176
Base-Backbone interact. energy: -0.935
local terms energy: -369.017386
where:
bonds (distance) C4'-P energy: -94.413
bonds (distance) P-C4' energy: -81.860
flat angles C4'-P-C4' energy: -81.538
flat angles P-C4'-P energy: -54.741
tors. eta vs tors. theta energy: -56.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -699.217499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.217499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.217499 (E_RNA)
where:
Base-Base interactions energy: -347.011
where: short stacking energy: -250.058
Base-Backbone interact. energy: 1.311
local terms energy: -353.518107
where:
bonds (distance) C4'-P energy: -69.872
bonds (distance) P-C4' energy: -87.417
flat angles C4'-P-C4' energy: -89.023
flat angles P-C4'-P energy: -57.733
tors. eta vs tors. theta energy: -49.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -584.758238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.758238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.758238 (E_RNA)
where:
Base-Base interactions energy: -286.322
where: short stacking energy: -203.810
Base-Backbone interact. energy: 0.101
local terms energy: -298.537526
where:
bonds (distance) C4'-P energy: -82.975
bonds (distance) P-C4' energy: -84.613
flat angles C4'-P-C4' energy: -77.789
flat angles P-C4'-P energy: -31.607
tors. eta vs tors. theta energy: -21.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -448.193365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.193365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.193365 (E_RNA)
where:
Base-Base interactions energy: -154.898
where: short stacking energy: -133.413
Base-Backbone interact. energy: -0.371
local terms energy: -292.924046
where:
bonds (distance) C4'-P energy: -76.179
bonds (distance) P-C4' energy: -79.380
flat angles C4'-P-C4' energy: -76.682
flat angles P-C4'-P energy: -55.117
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -416.758009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.758009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.758009 (E_RNA)
where:
Base-Base interactions energy: -140.933
where: short stacking energy: -110.882
Base-Backbone interact. energy: -2.002
local terms energy: -273.823005
where:
bonds (distance) C4'-P energy: -64.502
bonds (distance) P-C4' energy: -84.036
flat angles C4'-P-C4' energy: -71.737
flat angles P-C4'-P energy: -43.501
tors. eta vs tors. theta energy: -10.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -378.374715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.374715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.374715 (E_RNA)
where:
Base-Base interactions energy: -121.439
where: short stacking energy: -89.494
Base-Backbone interact. energy: -1.151
local terms energy: -255.784423
where:
bonds (distance) C4'-P energy: -77.850
bonds (distance) P-C4' energy: -81.779
flat angles C4'-P-C4' energy: -62.531
flat angles P-C4'-P energy: -42.179
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: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -336.428955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.428955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.428955 (E_RNA)
where:
Base-Base interactions energy: -119.350
where: short stacking energy: -97.483
Base-Backbone interact. energy: 0.499
local terms energy: -217.578570
where:
bonds (distance) C4'-P energy: -69.689
bonds (distance) P-C4' energy: -65.725
flat angles C4'-P-C4' energy: -62.133
flat angles P-C4'-P energy: -36.401
tors. eta vs tors. theta energy: 16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1231.634469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.634469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.634469 (E_RNA)
where:
Base-Base interactions energy: -766.789
where: short stacking energy: -458.869
Base-Backbone interact. energy: -0.829
local terms energy: -464.016182
where:
bonds (distance) C4'-P energy: -84.648
bonds (distance) P-C4' energy: -88.351
flat angles C4'-P-C4' energy: -93.593
flat angles P-C4'-P energy: -64.203
tors. eta vs tors. theta energy: -133.222
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: 141
Temperature: 0.950000
Total energy: -1036.822605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.822605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.822605 (E_RNA)
where:
Base-Base interactions energy: -573.530
where: short stacking energy: -367.186
Base-Backbone interact. energy: -0.947
local terms energy: -462.345860
where:
bonds (distance) C4'-P energy: -92.982
bonds (distance) P-C4' energy: -95.611
flat angles C4'-P-C4' energy: -105.041
flat angles P-C4'-P energy: -71.698
tors. eta vs tors. theta energy: -97.013
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: 3, replica: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -897.694690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.694690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.694690 (E_RNA)
where:
Base-Base interactions energy: -497.288
where: short stacking energy: -293.517
Base-Backbone interact. energy: 0.055
local terms energy: -400.462158
where:
bonds (distance) C4'-P energy: -88.284
bonds (distance) P-C4' energy: -86.820
flat angles C4'-P-C4' energy: -97.038
flat angles P-C4'-P energy: -52.540
tors. eta vs tors. theta energy: -75.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -780.929096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.929096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.929096 (E_RNA)
where:
Base-Base interactions energy: -400.483
where: short stacking energy: -282.518
Base-Backbone interact. energy: 0.092
local terms energy: -380.537898
where:
bonds (distance) C4'-P energy: -83.453
bonds (distance) P-C4' energy: -85.960
flat angles C4'-P-C4' energy: -91.619
flat angles P-C4'-P energy: -54.883
tors. eta vs tors. theta energy: -64.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -691.087670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.087670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.087670 (E_RNA)
where:
Base-Base interactions energy: -345.861
where: short stacking energy: -229.377
Base-Backbone interact. energy: -1.037
local terms energy: -344.189631
where:
bonds (distance) C4'-P energy: -68.030
bonds (distance) P-C4' energy: -95.714
flat angles C4'-P-C4' energy: -84.305
flat angles P-C4'-P energy: -51.507
tors. eta vs tors. theta energy: -44.634
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: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -511.341109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.341109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.341109 (E_RNA)
where:
Base-Base interactions energy: -182.169
where: short stacking energy: -174.525
Base-Backbone interact. energy: 4.096
local terms energy: -333.267268
where:
bonds (distance) C4'-P energy: -77.594
bonds (distance) P-C4' energy: -87.403
flat angles C4'-P-C4' energy: -86.979
flat angles P-C4'-P energy: -54.917
tors. eta vs tors. theta energy: -26.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -506.521692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.521692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.521692 (E_RNA)
where:
Base-Base interactions energy: -217.708
where: short stacking energy: -147.029
Base-Backbone interact. energy: 0.271
local terms energy: -289.085134
where:
bonds (distance) C4'-P energy: -77.991
bonds (distance) P-C4' energy: -86.158
flat angles C4'-P-C4' energy: -77.942
flat angles P-C4'-P energy: -38.259
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: 8, replica: 1
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -425.925947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.925947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.925947 (E_RNA)
where:
Base-Base interactions energy: -134.028
where: short stacking energy: -121.954
Base-Backbone interact. energy: -0.726
local terms energy: -291.171521
where:
bonds (distance) C4'-P energy: -81.103
bonds (distance) P-C4' energy: -78.085
flat angles C4'-P-C4' energy: -89.542
flat angles P-C4'-P energy: -49.492
tors. eta vs tors. theta energy: 7.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -364.766478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.766478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.766478 (E_RNA)
where:
Base-Base interactions energy: -106.281
where: short stacking energy: -88.923
Base-Backbone interact. energy: -0.213
local terms energy: -258.272759
where:
bonds (distance) C4'-P energy: -83.777
bonds (distance) P-C4' energy: -79.639
flat angles C4'-P-C4' energy: -67.780
flat angles P-C4'-P energy: -49.712
tors. eta vs tors. theta energy: 22.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -361.405787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.405787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.405787 (E_RNA)
where:
Base-Base interactions energy: -115.336
where: short stacking energy: -87.478
Base-Backbone interact. energy: 1.188
local terms energy: -247.257042
where:
bonds (distance) C4'-P energy: -83.579
bonds (distance) P-C4' energy: -91.342
flat angles C4'-P-C4' energy: -44.335
flat angles P-C4'-P energy: -44.860
tors. eta vs tors. theta energy: 16.858
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: 6
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1223.340985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.340985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.340985 (E_RNA)
where:
Base-Base interactions energy: -731.571
where: short stacking energy: -432.167
Base-Backbone interact. energy: -0.820
local terms energy: -490.950278
where:
bonds (distance) C4'-P energy: -95.890
bonds (distance) P-C4' energy: -99.638
flat angles C4'-P-C4' energy: -102.676
flat angles P-C4'-P energy: -66.673
tors. eta vs tors. theta energy: -126.073
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: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1023.662941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.662941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.662941 (E_RNA)
where:
Base-Base interactions energy: -576.904
where: short stacking energy: -341.541
Base-Backbone interact. energy: 0.212
local terms energy: -446.970117
where:
bonds (distance) C4'-P energy: -85.559
bonds (distance) P-C4' energy: -91.184
flat angles C4'-P-C4' energy: -103.207
flat angles P-C4'-P energy: -66.680
tors. eta vs tors. theta energy: -100.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -941.247638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.247638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.247638 (E_RNA)
where:
Base-Base interactions energy: -525.441
where: short stacking energy: -309.651
Base-Backbone interact. energy: -2.957
local terms energy: -412.849533
where:
bonds (distance) C4'-P energy: -95.584
bonds (distance) P-C4' energy: -83.388
flat angles C4'-P-C4' energy: -96.913
flat angles P-C4'-P energy: -59.745
tors. eta vs tors. theta energy: -77.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -768.533974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.533974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.533974 (E_RNA)
where:
Base-Base interactions energy: -387.467
where: short stacking energy: -278.126
Base-Backbone interact. energy: 1.629
local terms energy: -382.696146
where:
bonds (distance) C4'-P energy: -88.762
bonds (distance) P-C4' energy: -92.706
flat angles C4'-P-C4' energy: -93.788
flat angles P-C4'-P energy: -59.353
tors. eta vs tors. theta energy: -48.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -627.328867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.328867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.328867 (E_RNA)
where:
Base-Base interactions energy: -297.252
where: short stacking energy: -191.553
Base-Backbone interact. energy: -1.412
local terms energy: -328.665331
where:
bonds (distance) C4'-P energy: -67.333
bonds (distance) P-C4' energy: -77.712
flat angles C4'-P-C4' energy: -86.464
flat angles P-C4'-P energy: -47.621
tors. eta vs tors. theta energy: -49.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -474.321416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.321416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.321416 (E_RNA)
where:
Base-Base interactions energy: -180.674
where: short stacking energy: -170.035
Base-Backbone interact. energy: -0.869
local terms energy: -292.778170
where:
bonds (distance) C4'-P energy: -64.159
bonds (distance) P-C4' energy: -82.393
flat angles C4'-P-C4' energy: -83.943
flat angles P-C4'-P energy: -55.527
tors. eta vs tors. theta energy: -6.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -571.072185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.072185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.072185 (E_RNA)
where:
Base-Base interactions energy: -262.972
where: short stacking energy: -188.368
Base-Backbone interact. energy: 2.070
local terms energy: -310.169416
where:
bonds (distance) C4'-P energy: -78.479
bonds (distance) P-C4' energy: -81.291
flat angles C4'-P-C4' energy: -95.177
flat angles P-C4'-P energy: -29.241
tors. eta vs tors. theta energy: -25.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -481.300532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.300532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.300532 (E_RNA)
where:
Base-Base interactions energy: -211.532
where: short stacking energy: -153.508
Base-Backbone interact. energy: -1.735
local terms energy: -268.033584
where:
bonds (distance) C4'-P energy: -79.381
bonds (distance) P-C4' energy: -80.887
flat angles C4'-P-C4' energy: -61.267
flat angles P-C4'-P energy: -42.049
tors. eta vs tors. theta energy: -4.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -381.143437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.143437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.143437 (E_RNA)
where:
Base-Base interactions energy: -120.223
where: short stacking energy: -109.614
Base-Backbone interact. energy: -1.047
local terms energy: -259.873447
where:
bonds (distance) C4'-P energy: -83.061
bonds (distance) P-C4' energy: -71.455
flat angles C4'-P-C4' energy: -55.739
flat angles P-C4'-P energy: -45.294
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -349.538861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.538861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.538861 (E_RNA)
where:
Base-Base interactions energy: -137.502
where: short stacking energy: -116.617
Base-Backbone interact. energy: 5.059
local terms energy: -217.095525
where:
bonds (distance) C4'-P energy: -66.270
bonds (distance) P-C4' energy: -73.451
flat angles C4'-P-C4' energy: -48.992
flat angles P-C4'-P energy: -40.386
tors. eta vs tors. theta energy: 12.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1238.808311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.808311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.808311 (E_RNA)
where:
Base-Base interactions energy: -732.180
where: short stacking energy: -428.934
Base-Backbone interact. energy: -0.544
local terms energy: -506.085013
where:
bonds (distance) C4'-P energy: -98.010
bonds (distance) P-C4' energy: -103.009
flat angles C4'-P-C4' energy: -103.627
flat angles P-C4'-P energy: -68.704
tors. eta vs tors. theta energy: -132.735
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: 143
Temperature: 0.950000
Total energy: -1019.871634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.871634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.871634 (E_RNA)
where:
Base-Base interactions energy: -582.019
where: short stacking energy: -347.311
Base-Backbone interact. energy: -0.722
local terms energy: -437.130302
where:
bonds (distance) C4'-P energy: -91.338
bonds (distance) P-C4' energy: -93.462
flat angles C4'-P-C4' energy: -97.650
flat angles P-C4'-P energy: -57.464
tors. eta vs tors. theta energy: -97.215
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: 7
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -945.642927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.642927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.642927 (E_RNA)
where:
Base-Base interactions energy: -544.349
where: short stacking energy: -323.584
Base-Backbone interact. energy: 2.472
local terms energy: -403.765743
where:
bonds (distance) C4'-P energy: -88.991
bonds (distance) P-C4' energy: -88.342
flat angles C4'-P-C4' energy: -94.251
flat angles P-C4'-P energy: -49.305
tors. eta vs tors. theta energy: -82.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -774.157505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.157505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.157505 (E_RNA)
where:
Base-Base interactions energy: -394.542
where: short stacking energy: -287.442
Base-Backbone interact. energy: -2.322
local terms energy: -377.292959
where:
bonds (distance) C4'-P energy: -78.895
bonds (distance) P-C4' energy: -88.848
flat angles C4'-P-C4' energy: -84.823
flat angles P-C4'-P energy: -64.169
tors. eta vs tors. theta energy: -60.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -660.145387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.145387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.145387 (E_RNA)
where:
Base-Base interactions energy: -332.958
where: short stacking energy: -222.517
Base-Backbone interact. energy: -0.364
local terms energy: -326.822715
where:
bonds (distance) C4'-P energy: -76.521
bonds (distance) P-C4' energy: -86.376
flat angles C4'-P-C4' energy: -85.824
flat angles P-C4'-P energy: -54.986
tors. eta vs tors. theta energy: -23.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -552.336839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.336839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.336839 (E_RNA)
where:
Base-Base interactions energy: -259.874
where: short stacking energy: -161.628
Base-Backbone interact. energy: -0.492
local terms energy: -291.970798
where:
bonds (distance) C4'-P energy: -75.622
bonds (distance) P-C4' energy: -84.661
flat angles C4'-P-C4' energy: -79.346
flat angles P-C4'-P energy: -38.864
tors. eta vs tors. theta energy: -13.478
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: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -446.854668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.854668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.854668 (E_RNA)
where:
Base-Base interactions energy: -164.370
where: short stacking energy: -144.029
Base-Backbone interact. energy: 1.120
local terms energy: -283.605599
where:
bonds (distance) C4'-P energy: -85.871
bonds (distance) P-C4' energy: -79.750
flat angles C4'-P-C4' energy: -72.579
flat angles P-C4'-P energy: -32.283
tors. eta vs tors. theta energy: -13.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -470.721750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.721750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.721750 (E_RNA)
where:
Base-Base interactions energy: -181.177
where: short stacking energy: -134.843
Base-Backbone interact. energy: 1.204
local terms energy: -290.748970
where:
bonds (distance) C4'-P energy: -96.205
bonds (distance) P-C4' energy: -78.946
flat angles C4'-P-C4' energy: -62.144
flat angles P-C4'-P energy: -47.303
tors. eta vs tors. theta energy: -6.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -402.904246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.904246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.904246 (E_RNA)
where:
Base-Base interactions energy: -143.542
where: short stacking energy: -118.432
Base-Backbone interact. energy: 3.178
local terms energy: -262.540309
where:
bonds (distance) C4'-P energy: -76.511
bonds (distance) P-C4' energy: -76.943
flat angles C4'-P-C4' energy: -79.412
flat angles P-C4'-P energy: -40.196
tors. eta vs tors. theta energy: 10.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -370.457223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.457223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.457223 (E_RNA)
where:
Base-Base interactions energy: -117.393
where: short stacking energy: -104.563
Base-Backbone interact. energy: -0.260
local terms energy: -252.804338
where:
bonds (distance) C4'-P energy: -65.755
bonds (distance) P-C4' energy: -93.932
flat angles C4'-P-C4' energy: -63.243
flat angles P-C4'-P energy: -29.631
tors. eta vs tors. theta energy: -0.244
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: 6
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1245.679499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.679499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.679499 (E_RNA)
where:
Base-Base interactions energy: -750.525
where: short stacking energy: -441.882
Base-Backbone interact. energy: 0.333
local terms energy: -495.486600
where:
bonds (distance) C4'-P energy: -91.003
bonds (distance) P-C4' energy: -102.259
flat angles C4'-P-C4' energy: -109.710
flat angles P-C4'-P energy: -54.822
tors. eta vs tors. theta energy: -137.693
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: 144
Temperature: 0.950000
Total energy: -1034.031637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.031637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.031637 (E_RNA)
where:
Base-Base interactions energy: -601.565
where: short stacking energy: -367.552
Base-Backbone interact. energy: -1.890
local terms energy: -430.576502
where:
bonds (distance) C4'-P energy: -92.794
bonds (distance) P-C4' energy: -85.029
flat angles C4'-P-C4' energy: -101.671
flat angles P-C4'-P energy: -52.643
tors. eta vs tors. theta energy: -98.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -951.313423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.313423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.313423 (E_RNA)
where:
Base-Base interactions energy: -549.816
where: short stacking energy: -330.053
Base-Backbone interact. energy: -0.208
local terms energy: -401.289345
where:
bonds (distance) C4'-P energy: -71.835
bonds (distance) P-C4' energy: -82.949
flat angles C4'-P-C4' energy: -92.084
flat angles P-C4'-P energy: -62.453
tors. eta vs tors. theta energy: -91.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -788.687163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.687163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.687163 (E_RNA)
where:
Base-Base interactions energy: -408.863
where: short stacking energy: -271.451
Base-Backbone interact. energy: -0.266
local terms energy: -379.558180
where:
bonds (distance) C4'-P energy: -88.981
bonds (distance) P-C4' energy: -91.340
flat angles C4'-P-C4' energy: -83.374
flat angles P-C4'-P energy: -52.673
tors. eta vs tors. theta energy: -63.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -686.688524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.688524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.688524 (E_RNA)
where:
Base-Base interactions energy: -323.616
where: short stacking energy: -235.231
Base-Backbone interact. energy: -0.497
local terms energy: -362.575049
where:
bonds (distance) C4'-P energy: -90.496
bonds (distance) P-C4' energy: -88.845
flat angles C4'-P-C4' energy: -72.209
flat angles P-C4'-P energy: -64.341
tors. eta vs tors. theta energy: -46.683
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: 6, replica: 9
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -632.964202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.964202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.964202 (E_RNA)
where:
Base-Base interactions energy: -316.284
where: short stacking energy: -181.594
Base-Backbone interact. energy: 0.056
local terms energy: -316.736106
where:
bonds (distance) C4'-P energy: -82.801
bonds (distance) P-C4' energy: -93.784
flat angles C4'-P-C4' energy: -74.162
flat angles P-C4'-P energy: -48.418
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -561.136965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.136965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.136965 (E_RNA)
where:
Base-Base interactions energy: -250.824
where: short stacking energy: -195.594
Base-Backbone interact. energy: 2.750
local terms energy: -313.063283
where:
bonds (distance) C4'-P energy: -79.143
bonds (distance) P-C4' energy: -78.276
flat angles C4'-P-C4' energy: -75.889
flat angles P-C4'-P energy: -46.542
tors. eta vs tors. theta energy: -33.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -423.742833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.742833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.742833 (E_RNA)
where:
Base-Base interactions energy: -169.083
where: short stacking energy: -149.941
Base-Backbone interact. energy: -0.095
local terms energy: -254.564562
where:
bonds (distance) C4'-P energy: -70.101
bonds (distance) P-C4' energy: -87.220
flat angles C4'-P-C4' energy: -61.178
flat angles P-C4'-P energy: -31.177
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -404.833470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.833470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.833470 (E_RNA)
where:
Base-Base interactions energy: -127.376
where: short stacking energy: -124.926
Base-Backbone interact. energy: 2.347
local terms energy: -279.804357
where:
bonds (distance) C4'-P energy: -71.560
bonds (distance) P-C4' energy: -88.169
flat angles C4'-P-C4' energy: -82.207
flat angles P-C4'-P energy: -41.760
tors. eta vs tors. theta energy: 3.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -382.715956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.715956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.715956 (E_RNA)
where:
Base-Base interactions energy: -132.464
where: short stacking energy: -123.329
Base-Backbone interact. energy: 4.031
local terms energy: -254.283176
where:
bonds (distance) C4'-P energy: -82.212
bonds (distance) P-C4' energy: -78.362
flat angles C4'-P-C4' energy: -60.299
flat angles P-C4'-P energy: -43.260
tors. eta vs tors. theta energy: 9.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1230.706158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.706158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.706158 (E_RNA)
where:
Base-Base interactions energy: -738.474
where: short stacking energy: -436.936
Base-Backbone interact. energy: -0.167
local terms energy: -492.065348
where:
bonds (distance) C4'-P energy: -89.913
bonds (distance) P-C4' energy: -92.493
flat angles C4'-P-C4' energy: -102.060
flat angles P-C4'-P energy: -68.418
tors. eta vs tors. theta energy: -139.182
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: 145
Temperature: 0.950000
Total energy: -1001.831058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.831058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.831058 (E_RNA)
where:
Base-Base interactions energy: -579.413
where: short stacking energy: -332.620
Base-Backbone interact. energy: -0.974
local terms energy: -421.444082
where:
bonds (distance) C4'-P energy: -96.189
bonds (distance) P-C4' energy: -100.126
flat angles C4'-P-C4' energy: -88.539
flat angles P-C4'-P energy: -63.107
tors. eta vs tors. theta energy: -73.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -955.928374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.928374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.928374 (E_RNA)
where:
Base-Base interactions energy: -547.421
where: short stacking energy: -339.783
Base-Backbone interact. energy: 0.120
local terms energy: -408.627100
where:
bonds (distance) C4'-P energy: -82.862
bonds (distance) P-C4' energy: -76.681
flat angles C4'-P-C4' energy: -104.017
flat angles P-C4'-P energy: -58.295
tors. eta vs tors. theta energy: -86.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -814.775753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.775753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.775753 (E_RNA)
where:
Base-Base interactions energy: -441.233
where: short stacking energy: -303.049
Base-Backbone interact. energy: -1.054
local terms energy: -372.488234
where:
bonds (distance) C4'-P energy: -76.240
bonds (distance) P-C4' energy: -87.817
flat angles C4'-P-C4' energy: -87.491
flat angles P-C4'-P energy: -45.570
tors. eta vs tors. theta energy: -75.370
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: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -628.152141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.152141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.152141 (E_RNA)
where:
Base-Base interactions energy: -279.397
where: short stacking energy: -200.129
Base-Backbone interact. energy: 0.328
local terms energy: -349.083744
where:
bonds (distance) C4'-P energy: -75.096
bonds (distance) P-C4' energy: -90.581
flat angles C4'-P-C4' energy: -93.944
flat angles P-C4'-P energy: -57.906
tors. eta vs tors. theta energy: -31.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -645.063042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.063042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.063042 (E_RNA)
where:
Base-Base interactions energy: -333.761
where: short stacking energy: -183.199
Base-Backbone interact. energy: 4.297
local terms energy: -315.598939
where:
bonds (distance) C4'-P energy: -83.317
bonds (distance) P-C4' energy: -84.334
flat angles C4'-P-C4' energy: -83.025
flat angles P-C4'-P energy: -40.345
tors. eta vs tors. theta energy: -24.577
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: 1
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -486.886193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.886193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.886193 (E_RNA)
where:
Base-Base interactions energy: -199.400
where: short stacking energy: -150.600
Base-Backbone interact. energy: -2.108
local terms energy: -285.378357
where:
bonds (distance) C4'-P energy: -69.785
bonds (distance) P-C4' energy: -78.613
flat angles C4'-P-C4' energy: -75.582
flat angles P-C4'-P energy: -58.217
tors. eta vs tors. theta energy: -3.180
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: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -406.038735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.038735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.038735 (E_RNA)
where:
Base-Base interactions energy: -137.272
where: short stacking energy: -99.122
Base-Backbone interact. energy: 0.425
local terms energy: -269.192513
where:
bonds (distance) C4'-P energy: -75.224
bonds (distance) P-C4' energy: -87.571
flat angles C4'-P-C4' energy: -75.187
flat angles P-C4'-P energy: -39.282
tors. eta vs tors. theta energy: 8.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -400.952041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.952041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.952041 (E_RNA)
where:
Base-Base interactions energy: -154.548
where: short stacking energy: -120.159
Base-Backbone interact. energy: -1.061
local terms energy: -245.342924
where:
bonds (distance) C4'-P energy: -80.814
bonds (distance) P-C4' energy: -86.992
flat angles C4'-P-C4' energy: -61.688
flat angles P-C4'-P energy: -39.972
tors. eta vs tors. theta energy: 24.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -355.084363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.084363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.084363 (E_RNA)
where:
Base-Base interactions energy: -116.782
where: short stacking energy: -83.739
Base-Backbone interact. energy: -2.523
local terms energy: -235.779286
where:
bonds (distance) C4'-P energy: -70.754
bonds (distance) P-C4' energy: -76.349
flat angles C4'-P-C4' energy: -69.055
flat angles P-C4'-P energy: -19.672
tors. eta vs tors. theta energy: 0.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1226.576932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.576932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.576932 (E_RNA)
where:
Base-Base interactions energy: -735.918
where: short stacking energy: -421.364
Base-Backbone interact. energy: -0.275
local terms energy: -490.383815
where:
bonds (distance) C4'-P energy: -93.416
bonds (distance) P-C4' energy: -93.790
flat angles C4'-P-C4' energy: -103.424
flat angles P-C4'-P energy: -68.605
tors. eta vs tors. theta energy: -131.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1035.973417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.973417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.973417 (E_RNA)
where:
Base-Base interactions energy: -592.532
where: short stacking energy: -364.039
Base-Backbone interact. energy: -2.198
local terms energy: -441.243752
where:
bonds (distance) C4'-P energy: -97.786
bonds (distance) P-C4' energy: -90.950
flat angles C4'-P-C4' energy: -104.023
flat angles P-C4'-P energy: -59.726
tors. eta vs tors. theta energy: -88.758
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: 3, replica: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -954.099065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.099065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.099065 (E_RNA)
where:
Base-Base interactions energy: -522.096
where: short stacking energy: -313.945
Base-Backbone interact. energy: 3.160
local terms energy: -435.163615
where:
bonds (distance) C4'-P energy: -105.395
bonds (distance) P-C4' energy: -85.375
flat angles C4'-P-C4' energy: -95.934
flat angles P-C4'-P energy: -61.422
tors. eta vs tors. theta energy: -87.038
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: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -800.755426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.755426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.755426 (E_RNA)
where:
Base-Base interactions energy: -394.697
where: short stacking energy: -262.930
Base-Backbone interact. energy: -1.766
local terms energy: -404.292410
where:
bonds (distance) C4'-P energy: -85.634
bonds (distance) P-C4' energy: -89.581
flat angles C4'-P-C4' energy: -99.854
flat angles P-C4'-P energy: -63.379
tors. eta vs tors. theta energy: -65.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -680.705467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.705467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.705467 (E_RNA)
where:
Base-Base interactions energy: -341.574
where: short stacking energy: -221.136
Base-Backbone interact. energy: -0.174
local terms energy: -338.957680
where:
bonds (distance) C4'-P energy: -83.566
bonds (distance) P-C4' energy: -74.669
flat angles C4'-P-C4' energy: -79.080
flat angles P-C4'-P energy: -56.683
tors. eta vs tors. theta energy: -44.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -620.922891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.922891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.922891 (E_RNA)
where:
Base-Base interactions energy: -296.520
where: short stacking energy: -207.374
Base-Backbone interact. energy: 3.471
local terms energy: -327.873533
where:
bonds (distance) C4'-P energy: -92.030
bonds (distance) P-C4' energy: -83.547
flat angles C4'-P-C4' energy: -90.950
flat angles P-C4'-P energy: -49.087
tors. eta vs tors. theta energy: -12.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -504.961216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.961216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.961216 (E_RNA)
where:
Base-Base interactions energy: -209.712
where: short stacking energy: -153.107
Base-Backbone interact. energy: 2.145
local terms energy: -297.394638
where:
bonds (distance) C4'-P energy: -83.544
bonds (distance) P-C4' energy: -82.142
flat angles C4'-P-C4' energy: -81.438
flat angles P-C4'-P energy: -35.477
tors. eta vs tors. theta energy: -14.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -427.771125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.771125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.771125 (E_RNA)
where:
Base-Base interactions energy: -143.185
where: short stacking energy: -123.749
Base-Backbone interact. energy: -1.202
local terms energy: -283.384849
where:
bonds (distance) C4'-P energy: -73.451
bonds (distance) P-C4' energy: -84.720
flat angles C4'-P-C4' energy: -69.241
flat angles P-C4'-P energy: -45.001
tors. eta vs tors. theta energy: -10.971
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: 9, replica: 5
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -384.286363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.286363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.286363 (E_RNA)
where:
Base-Base interactions energy: -147.928
where: short stacking energy: -104.543
Base-Backbone interact. energy: 0.230
local terms energy: -236.588022
where:
bonds (distance) C4'-P energy: -66.078
bonds (distance) P-C4' energy: -82.901
flat angles C4'-P-C4' energy: -56.855
flat angles P-C4'-P energy: -36.102
tors. eta vs tors. theta energy: 5.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -338.704768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.704768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.704768 (E_RNA)
where:
Base-Base interactions energy: -93.458
where: short stacking energy: -88.267
Base-Backbone interact. energy: -1.235
local terms energy: -244.011675
where:
bonds (distance) C4'-P energy: -80.847
bonds (distance) P-C4' energy: -73.598
flat angles C4'-P-C4' energy: -64.239
flat angles P-C4'-P energy: -39.662
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: 1, replica: 6
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1227.341736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.341736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.341736 (E_RNA)
where:
Base-Base interactions energy: -752.780
where: short stacking energy: -448.316
Base-Backbone interact. energy: -0.658
local terms energy: -473.902924
where:
bonds (distance) C4'-P energy: -80.496
bonds (distance) P-C4' energy: -95.877
flat angles C4'-P-C4' energy: -100.647
flat angles P-C4'-P energy: -63.668
tors. eta vs tors. theta energy: -133.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1055.239990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.239990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.239990 (E_RNA)
where:
Base-Base interactions energy: -613.103
where: short stacking energy: -364.056
Base-Backbone interact. energy: -0.994
local terms energy: -441.143912
where:
bonds (distance) C4'-P energy: -77.489
bonds (distance) P-C4' energy: -91.989
flat angles C4'-P-C4' energy: -100.771
flat angles P-C4'-P energy: -62.824
tors. eta vs tors. theta energy: -108.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -964.118900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.118900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.118900 (E_RNA)
where:
Base-Base interactions energy: -533.508
where: short stacking energy: -323.990
Base-Backbone interact. energy: -1.379
local terms energy: -429.231083
where:
bonds (distance) C4'-P energy: -93.394
bonds (distance) P-C4' energy: -88.998
flat angles C4'-P-C4' energy: -103.641
flat angles P-C4'-P energy: -58.168
tors. eta vs tors. theta energy: -85.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -821.254423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.254423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.254423 (E_RNA)
where:
Base-Base interactions energy: -442.973
where: short stacking energy: -276.637
Base-Backbone interact. energy: -2.008
local terms energy: -376.272923
where:
bonds (distance) C4'-P energy: -96.664
bonds (distance) P-C4' energy: -86.029
flat angles C4'-P-C4' energy: -79.566
flat angles P-C4'-P energy: -48.767
tors. eta vs tors. theta energy: -65.246
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: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -649.659041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.659041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.659041 (E_RNA)
where:
Base-Base interactions energy: -311.128
where: short stacking energy: -217.459
Base-Backbone interact. energy: -2.512
local terms energy: -336.019424
where:
bonds (distance) C4'-P energy: -82.495
bonds (distance) P-C4' energy: -83.912
flat angles C4'-P-C4' energy: -81.180
flat angles P-C4'-P energy: -58.940
tors. eta vs tors. theta energy: -29.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -603.863095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.863095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.863095 (E_RNA)
where:
Base-Base interactions energy: -295.311
where: short stacking energy: -200.431
Base-Backbone interact. energy: 5.869
local terms energy: -314.421250
where:
bonds (distance) C4'-P energy: -68.210
bonds (distance) P-C4' energy: -83.549
flat angles C4'-P-C4' energy: -85.602
flat angles P-C4'-P energy: -44.459
tors. eta vs tors. theta energy: -32.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -554.093818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.093818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.093818 (E_RNA)
where:
Base-Base interactions energy: -232.629
where: short stacking energy: -172.621
Base-Backbone interact. energy: -1.535
local terms energy: -319.929704
where:
bonds (distance) C4'-P energy: -68.677
bonds (distance) P-C4' energy: -80.172
flat angles C4'-P-C4' energy: -88.425
flat angles P-C4'-P energy: -48.732
tors. eta vs tors. theta energy: -33.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -404.330685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.330685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.330685 (E_RNA)
where:
Base-Base interactions energy: -125.742
where: short stacking energy: -117.238
Base-Backbone interact. energy: -1.587
local terms energy: -277.001577
where:
bonds (distance) C4'-P energy: -79.043
bonds (distance) P-C4' energy: -93.485
flat angles C4'-P-C4' energy: -74.670
flat angles P-C4'-P energy: -46.453
tors. eta vs tors. theta energy: 16.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -385.092199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.092199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.092199 (E_RNA)
where:
Base-Base interactions energy: -131.856
where: short stacking energy: -96.797
Base-Backbone interact. energy: 0.029
local terms energy: -253.264886
where:
bonds (distance) C4'-P energy: -67.548
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -74.200
flat angles P-C4'-P energy: -44.389
tors. eta vs tors. theta energy: 12.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -363.507465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.507465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.507465 (E_RNA)
where:
Base-Base interactions energy: -97.805
where: short stacking energy: -90.148
Base-Backbone interact. energy: 0.653
local terms energy: -266.355927
where:
bonds (distance) C4'-P energy: -88.427
bonds (distance) P-C4' energy: -78.707
flat angles C4'-P-C4' energy: -67.570
flat angles P-C4'-P energy: -36.659
tors. eta vs tors. theta energy: 5.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1205.261702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.261702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.261702 (E_RNA)
where:
Base-Base interactions energy: -722.385
where: short stacking energy: -401.688
Base-Backbone interact. energy: -1.195
local terms energy: -481.682096
where:
bonds (distance) C4'-P energy: -97.510
bonds (distance) P-C4' energy: -96.310
flat angles C4'-P-C4' energy: -106.804
flat angles P-C4'-P energy: -66.439
tors. eta vs tors. theta energy: -114.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -989.849006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.849006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.849006 (E_RNA)
where:
Base-Base interactions energy: -569.393
where: short stacking energy: -334.393
Base-Backbone interact. energy: -2.189
local terms energy: -418.267034
where:
bonds (distance) C4'-P energy: -87.594
bonds (distance) P-C4' energy: -91.935
flat angles C4'-P-C4' energy: -98.092
flat angles P-C4'-P energy: -52.202
tors. eta vs tors. theta energy: -88.444
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: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -955.844692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.844692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.844692 (E_RNA)
where:
Base-Base interactions energy: -513.091
where: short stacking energy: -308.703
Base-Backbone interact. energy: 0.916
local terms energy: -443.669209
where:
bonds (distance) C4'-P energy: -93.911
bonds (distance) P-C4' energy: -90.201
flat angles C4'-P-C4' energy: -98.381
flat angles P-C4'-P energy: -71.675
tors. eta vs tors. theta energy: -89.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -810.606346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.606346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.606346 (E_RNA)
where:
Base-Base interactions energy: -438.915
where: short stacking energy: -274.340
Base-Backbone interact. energy: -0.631
local terms energy: -371.060086
where:
bonds (distance) C4'-P energy: -81.083
bonds (distance) P-C4' energy: -90.120
flat angles C4'-P-C4' energy: -76.077
flat angles P-C4'-P energy: -59.009
tors. eta vs tors. theta energy: -64.771
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: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -639.341542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.341542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.341542 (E_RNA)
where:
Base-Base interactions energy: -317.934
where: short stacking energy: -233.105
Base-Backbone interact. energy: -2.824
local terms energy: -318.584098
where:
bonds (distance) C4'-P energy: -78.819
bonds (distance) P-C4' energy: -72.211
flat angles C4'-P-C4' energy: -81.337
flat angles P-C4'-P energy: -51.200
tors. eta vs tors. theta energy: -35.018
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: 148
Temperature: 1.150000
Total energy: -580.264583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.264583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.264583 (E_RNA)
where:
Base-Base interactions energy: -265.511
where: short stacking energy: -143.886
Base-Backbone interact. energy: -1.099
local terms energy: -313.654816
where:
bonds (distance) C4'-P energy: -74.253
bonds (distance) P-C4' energy: -89.062
flat angles C4'-P-C4' energy: -82.224
flat angles P-C4'-P energy: -62.507
tors. eta vs tors. theta energy: -5.609
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: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -539.568167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.568167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.568167 (E_RNA)
where:
Base-Base interactions energy: -217.529
where: short stacking energy: -144.007
Base-Backbone interact. energy: -1.586
local terms energy: -320.452866
where:
bonds (distance) C4'-P energy: -90.988
bonds (distance) P-C4' energy: -87.240
flat angles C4'-P-C4' energy: -78.114
flat angles P-C4'-P energy: -50.574
tors. eta vs tors. theta energy: -13.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -412.302130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.302130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.302130 (E_RNA)
where:
Base-Base interactions energy: -160.749
where: short stacking energy: -136.352
Base-Backbone interact. energy: 3.077
local terms energy: -254.630492
where:
bonds (distance) C4'-P energy: -72.091
bonds (distance) P-C4' energy: -73.617
flat angles C4'-P-C4' energy: -58.992
flat angles P-C4'-P energy: -42.423
tors. eta vs tors. theta energy: -7.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -373.856307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.856307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.856307 (E_RNA)
where:
Base-Base interactions energy: -117.581
where: short stacking energy: -102.298
Base-Backbone interact. energy: -0.662
local terms energy: -255.613165
where:
bonds (distance) C4'-P energy: -83.114
bonds (distance) P-C4' energy: -84.516
flat angles C4'-P-C4' energy: -70.571
flat angles P-C4'-P energy: -37.616
tors. eta vs tors. theta energy: 20.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -359.815958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.815958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.815958 (E_RNA)
where:
Base-Base interactions energy: -122.397
where: short stacking energy: -107.638
Base-Backbone interact. energy: -0.416
local terms energy: -237.002888
where:
bonds (distance) C4'-P energy: -70.694
bonds (distance) P-C4' energy: -86.545
flat angles C4'-P-C4' energy: -71.322
flat angles P-C4'-P energy: -38.215
tors. eta vs tors. theta energy: 29.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1215.214380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.214380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.214380 (E_RNA)
where:
Base-Base interactions energy: -723.669
where: short stacking energy: -431.046
Base-Backbone interact. energy: -0.657
local terms energy: -490.888621
where:
bonds (distance) C4'-P energy: -88.085
bonds (distance) P-C4' energy: -94.699
flat angles C4'-P-C4' energy: -108.205
flat angles P-C4'-P energy: -68.170
tors. eta vs tors. theta energy: -131.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1026.981236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.981236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.981236 (E_RNA)
where:
Base-Base interactions energy: -582.406
where: short stacking energy: -353.487
Base-Backbone interact. energy: -0.639
local terms energy: -443.935847
where:
bonds (distance) C4'-P energy: -86.688
bonds (distance) P-C4' energy: -90.475
flat angles C4'-P-C4' energy: -97.484
flat angles P-C4'-P energy: -62.134
tors. eta vs tors. theta energy: -107.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -991.520861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.520861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.520861 (E_RNA)
where:
Base-Base interactions energy: -561.065
where: short stacking energy: -353.233
Base-Backbone interact. energy: -0.052
local terms energy: -430.404478
where:
bonds (distance) C4'-P energy: -86.833
bonds (distance) P-C4' energy: -89.627
flat angles C4'-P-C4' energy: -99.989
flat angles P-C4'-P energy: -58.818
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: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -789.228009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.228009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.228009 (E_RNA)
where:
Base-Base interactions energy: -394.163
where: short stacking energy: -259.318
Base-Backbone interact. energy: -1.081
local terms energy: -393.984458
where:
bonds (distance) C4'-P energy: -73.765
bonds (distance) P-C4' energy: -91.616
flat angles C4'-P-C4' energy: -91.332
flat angles P-C4'-P energy: -63.128
tors. eta vs tors. theta energy: -74.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -602.399040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.399040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.399040 (E_RNA)
where:
Base-Base interactions energy: -261.282
where: short stacking energy: -195.783
Base-Backbone interact. energy: 0.038
local terms energy: -341.155321
where:
bonds (distance) C4'-P energy: -91.619
bonds (distance) P-C4' energy: -85.966
flat angles C4'-P-C4' energy: -68.945
flat angles P-C4'-P energy: -60.889
tors. eta vs tors. theta energy: -33.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -627.675066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.675066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.675066 (E_RNA)
where:
Base-Base interactions energy: -279.465
where: short stacking energy: -189.426
Base-Backbone interact. energy: -0.378
local terms energy: -347.832532
where:
bonds (distance) C4'-P energy: -97.544
bonds (distance) P-C4' energy: -96.002
flat angles C4'-P-C4' energy: -73.055
flat angles P-C4'-P energy: -47.667
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: 7, replica: 1
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -549.330319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.330319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.330319 (E_RNA)
where:
Base-Base interactions energy: -233.195
where: short stacking energy: -169.481
Base-Backbone interact. energy: 0.354
local terms energy: -316.488772
where:
bonds (distance) C4'-P energy: -89.600
bonds (distance) P-C4' energy: -89.561
flat angles C4'-P-C4' energy: -74.420
flat angles P-C4'-P energy: -45.458
tors. eta vs tors. theta energy: -17.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -398.433417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.433417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.433417 (E_RNA)
where:
Base-Base interactions energy: -125.831
where: short stacking energy: -108.350
Base-Backbone interact. energy: -0.558
local terms energy: -272.044328
where:
bonds (distance) C4'-P energy: -75.337
bonds (distance) P-C4' energy: -87.953
flat angles C4'-P-C4' energy: -80.553
flat angles P-C4'-P energy: -44.693
tors. eta vs tors. theta energy: 16.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -418.834950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.834950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.834950 (E_RNA)
where:
Base-Base interactions energy: -165.253
where: short stacking energy: -121.201
Base-Backbone interact. energy: 1.271
local terms energy: -254.852973
where:
bonds (distance) C4'-P energy: -78.582
bonds (distance) P-C4' energy: -68.917
flat angles C4'-P-C4' energy: -78.152
flat angles P-C4'-P energy: -40.472
tors. eta vs tors. theta energy: 11.271
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: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -353.459490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.459490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.459490 (E_RNA)
where:
Base-Base interactions energy: -120.105
where: short stacking energy: -99.558
Base-Backbone interact. energy: 1.735
local terms energy: -235.090127
where:
bonds (distance) C4'-P energy: -77.511
bonds (distance) P-C4' energy: -63.867
flat angles C4'-P-C4' energy: -55.994
flat angles P-C4'-P energy: -41.968
tors. eta vs tors. theta energy: 4.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1237.932558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.932558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.932558 (E_RNA)
where:
Base-Base interactions energy: -746.789
where: short stacking energy: -433.750
Base-Backbone interact. energy: -1.120
local terms energy: -490.023012
where:
bonds (distance) C4'-P energy: -85.641
bonds (distance) P-C4' energy: -99.624
flat angles C4'-P-C4' energy: -103.834
flat angles P-C4'-P energy: -67.416
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: 2, replica: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1052.940266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.940266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.940266 (E_RNA)
where:
Base-Base interactions energy: -609.906
where: short stacking energy: -368.371
Base-Backbone interact. energy: -2.107
local terms energy: -440.927175
where:
bonds (distance) C4'-P energy: -86.364
bonds (distance) P-C4' energy: -84.961
flat angles C4'-P-C4' energy: -99.049
flat angles P-C4'-P energy: -72.148
tors. eta vs tors. theta energy: -98.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1034.579110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.579110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.579110 (E_RNA)
where:
Base-Base interactions energy: -608.337
where: short stacking energy: -375.074
Base-Backbone interact. energy: -1.598
local terms energy: -424.644104
where:
bonds (distance) C4'-P energy: -95.427
bonds (distance) P-C4' energy: -85.021
flat angles C4'-P-C4' energy: -89.233
flat angles P-C4'-P energy: -56.850
tors. eta vs tors. theta energy: -98.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -808.957391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.957391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.957391 (E_RNA)
where:
Base-Base interactions energy: -440.212
where: short stacking energy: -291.265
Base-Backbone interact. energy: -1.960
local terms energy: -366.785812
where:
bonds (distance) C4'-P energy: -61.496
bonds (distance) P-C4' energy: -96.304
flat angles C4'-P-C4' energy: -88.705
flat angles P-C4'-P energy: -54.627
tors. eta vs tors. theta energy: -65.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -609.420352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.420352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.420352 (E_RNA)
where:
Base-Base interactions energy: -283.001
where: short stacking energy: -183.040
Base-Backbone interact. energy: -1.278
local terms energy: -325.140697
where:
bonds (distance) C4'-P energy: -86.776
bonds (distance) P-C4' energy: -95.074
flat angles C4'-P-C4' energy: -80.698
flat angles P-C4'-P energy: -49.228
tors. eta vs tors. theta energy: -13.365
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: 9
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -544.033741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.033741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.033741 (E_RNA)
where:
Base-Base interactions energy: -253.054
where: short stacking energy: -155.483
Base-Backbone interact. energy: 3.329
local terms energy: -294.309198
where:
bonds (distance) C4'-P energy: -70.523
bonds (distance) P-C4' energy: -98.633
flat angles C4'-P-C4' energy: -71.705
flat angles P-C4'-P energy: -49.356
tors. eta vs tors. theta energy: -4.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -490.983638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.983638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.983638 (E_RNA)
where:
Base-Base interactions energy: -193.279
where: short stacking energy: -157.777
Base-Backbone interact. energy: -1.890
local terms energy: -295.814837
where:
bonds (distance) C4'-P energy: -82.223
bonds (distance) P-C4' energy: -90.141
flat angles C4'-P-C4' energy: -65.420
flat angles P-C4'-P energy: -40.226
tors. eta vs tors. theta energy: -17.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -433.598217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.598217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.598217 (E_RNA)
where:
Base-Base interactions energy: -164.413
where: short stacking energy: -134.620
Base-Backbone interact. energy: -0.104
local terms energy: -269.081691
where:
bonds (distance) C4'-P energy: -70.563
bonds (distance) P-C4' energy: -79.475
flat angles C4'-P-C4' energy: -73.186
flat angles P-C4'-P energy: -41.676
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -394.787713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.787713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.787713 (E_RNA)
where:
Base-Base interactions energy: -143.904
where: short stacking energy: -110.059
Base-Backbone interact. energy: -0.696
local terms energy: -250.187301
where:
bonds (distance) C4'-P energy: -86.096
bonds (distance) P-C4' energy: -73.352
flat angles C4'-P-C4' energy: -53.210
flat angles P-C4'-P energy: -53.793
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: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -350.990560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.990560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.990560 (E_RNA)
where:
Base-Base interactions energy: -100.719
where: short stacking energy: -73.477
Base-Backbone interact. energy: -0.036
local terms energy: -250.234998
where:
bonds (distance) C4'-P energy: -77.627
bonds (distance) P-C4' energy: -87.971
flat angles C4'-P-C4' energy: -67.371
flat angles P-C4'-P energy: -35.929
tors. eta vs tors. theta energy: 18.663
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: 6
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1247.549463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.549463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.549463 (E_RNA)
where:
Base-Base interactions energy: -748.931
where: short stacking energy: -449.858
Base-Backbone interact. energy: 0.346
local terms energy: -498.964747
where:
bonds (distance) C4'-P energy: -89.059
bonds (distance) P-C4' energy: -94.637
flat angles C4'-P-C4' energy: -106.235
flat angles P-C4'-P energy: -74.237
tors. eta vs tors. theta energy: -134.796
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: 151
Temperature: 0.950000
Total energy: -1025.462346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.462346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.462346 (E_RNA)
where:
Base-Base interactions energy: -593.421
where: short stacking energy: -372.324
Base-Backbone interact. energy: -0.660
local terms energy: -431.380974
where:
bonds (distance) C4'-P energy: -90.839
bonds (distance) P-C4' energy: -83.535
flat angles C4'-P-C4' energy: -95.164
flat angles P-C4'-P energy: -56.867
tors. eta vs tors. theta energy: -104.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -964.368193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.368193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.368193 (E_RNA)
where:
Base-Base interactions energy: -527.036
where: short stacking energy: -325.826
Base-Backbone interact. energy: -1.415
local terms energy: -435.917557
where:
bonds (distance) C4'-P energy: -86.379
bonds (distance) P-C4' energy: -87.186
flat angles C4'-P-C4' energy: -108.973
flat angles P-C4'-P energy: -61.057
tors. eta vs tors. theta energy: -92.323
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: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -837.600089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.600089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.600089 (E_RNA)
where:
Base-Base interactions energy: -454.762
where: short stacking energy: -291.033
Base-Backbone interact. energy: -0.189
local terms energy: -382.649951
where:
bonds (distance) C4'-P energy: -82.384
bonds (distance) P-C4' energy: -79.832
flat angles C4'-P-C4' energy: -101.067
flat angles P-C4'-P energy: -58.468
tors. eta vs tors. theta energy: -60.898
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: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -626.852697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.852697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.852697 (E_RNA)
where:
Base-Base interactions energy: -300.127
where: short stacking energy: -201.634
Base-Backbone interact. energy: 3.239
local terms energy: -329.964722
where:
bonds (distance) C4'-P energy: -82.500
bonds (distance) P-C4' energy: -80.709
flat angles C4'-P-C4' energy: -90.833
flat angles P-C4'-P energy: -41.400
tors. eta vs tors. theta energy: -34.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -484.520130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.520130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.520130 (E_RNA)
where:
Base-Base interactions energy: -168.202
where: short stacking energy: -154.846
Base-Backbone interact. energy: 1.238
local terms energy: -317.556845
where:
bonds (distance) C4'-P energy: -91.351
bonds (distance) P-C4' energy: -96.299
flat angles C4'-P-C4' energy: -79.227
flat angles P-C4'-P energy: -40.622
tors. eta vs tors. theta energy: -10.057
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: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -506.825529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.825529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.825529 (E_RNA)
where:
Base-Base interactions energy: -218.252
where: short stacking energy: -175.221
Base-Backbone interact. energy: -0.099
local terms energy: -288.475272
where:
bonds (distance) C4'-P energy: -69.306
bonds (distance) P-C4' energy: -86.769
flat angles C4'-P-C4' energy: -74.025
flat angles P-C4'-P energy: -45.876
tors. eta vs tors. theta energy: -12.500
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: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -416.349961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.349961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.349961 (E_RNA)
where:
Base-Base interactions energy: -142.718
where: short stacking energy: -131.308
Base-Backbone interact. energy: -0.942
local terms energy: -272.690653
where:
bonds (distance) C4'-P energy: -77.956
bonds (distance) P-C4' energy: -80.900
flat angles C4'-P-C4' energy: -64.214
flat angles P-C4'-P energy: -38.632
tors. eta vs tors. theta energy: -10.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -387.773709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.773709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.773709 (E_RNA)
where:
Base-Base interactions energy: -112.243
where: short stacking energy: -98.183
Base-Backbone interact. energy: 0.741
local terms energy: -276.271899
where:
bonds (distance) C4'-P energy: -86.894
bonds (distance) P-C4' energy: -81.501
flat angles C4'-P-C4' energy: -60.575
flat angles P-C4'-P energy: -51.977
tors. eta vs tors. theta energy: 4.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -354.882339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.882339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.882339 (E_RNA)
where:
Base-Base interactions energy: -110.478
where: short stacking energy: -109.439
Base-Backbone interact. energy: 3.428
local terms energy: -247.832864
where:
bonds (distance) C4'-P energy: -82.261
bonds (distance) P-C4' energy: -69.429
flat angles C4'-P-C4' energy: -60.499
flat angles P-C4'-P energy: -42.266
tors. eta vs tors. theta energy: 6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1229.187647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.187647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.187647 (E_RNA)
where:
Base-Base interactions energy: -741.932
where: short stacking energy: -444.893
Base-Backbone interact. energy: 0.031
local terms energy: -487.286664
where:
bonds (distance) C4'-P energy: -92.024
bonds (distance) P-C4' energy: -97.601
flat angles C4'-P-C4' energy: -96.071
flat angles P-C4'-P energy: -64.071
tors. eta vs tors. theta energy: -137.519
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: 152
Temperature: 0.950000
Total energy: -957.899737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.899737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.899737 (E_RNA)
where:
Base-Base interactions energy: -546.848
where: short stacking energy: -304.347
Base-Backbone interact. energy: -1.070
local terms energy: -409.981985
where:
bonds (distance) C4'-P energy: -93.029
bonds (distance) P-C4' energy: -90.695
flat angles C4'-P-C4' energy: -90.926
flat angles P-C4'-P energy: -58.988
tors. eta vs tors. theta energy: -76.344
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: 152
Temperature: 1.000000
Total energy: -900.210905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.210905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.210905 (E_RNA)
where:
Base-Base interactions energy: -484.546
where: short stacking energy: -306.757
Base-Backbone interact. energy: -1.221
local terms energy: -414.443783
where:
bonds (distance) C4'-P energy: -94.311
bonds (distance) P-C4' energy: -88.107
flat angles C4'-P-C4' energy: -99.978
flat angles P-C4'-P energy: -49.297
tors. eta vs tors. theta energy: -82.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -947.479473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.479473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.479473 (E_RNA)
where:
Base-Base interactions energy: -530.809
where: short stacking energy: -307.146
Base-Backbone interact. energy: -2.271
local terms energy: -414.400124
where:
bonds (distance) C4'-P energy: -90.877
bonds (distance) P-C4' energy: -87.544
flat angles C4'-P-C4' energy: -101.866
flat angles P-C4'-P energy: -53.529
tors. eta vs tors. theta energy: -80.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -652.927750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.927750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.927750 (E_RNA)
where:
Base-Base interactions energy: -315.491
where: short stacking energy: -217.454
Base-Backbone interact. energy: -1.493
local terms energy: -335.943199
where:
bonds (distance) C4'-P energy: -72.012
bonds (distance) P-C4' energy: -82.064
flat angles C4'-P-C4' energy: -87.881
flat angles P-C4'-P energy: -58.041
tors. eta vs tors. theta energy: -35.944
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: 1
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -474.680920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.680920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.680920 (E_RNA)
where:
Base-Base interactions energy: -163.707
where: short stacking energy: -145.722
Base-Backbone interact. energy: -0.898
local terms energy: -310.075528
where:
bonds (distance) C4'-P energy: -78.776
bonds (distance) P-C4' energy: -90.869
flat angles C4'-P-C4' energy: -73.730
flat angles P-C4'-P energy: -59.964
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: 7, replica: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -531.270573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.270573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.270573 (E_RNA)
where:
Base-Base interactions energy: -215.652
where: short stacking energy: -181.136
Base-Backbone interact. energy: 0.590
local terms energy: -316.208409
where:
bonds (distance) C4'-P energy: -93.921
bonds (distance) P-C4' energy: -77.006
flat angles C4'-P-C4' energy: -88.897
flat angles P-C4'-P energy: -36.213
tors. eta vs tors. theta energy: -20.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -413.265016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.265016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.265016 (E_RNA)
where:
Base-Base interactions energy: -123.172
where: short stacking energy: -118.970
Base-Backbone interact. energy: 0.064
local terms energy: -290.156685
where:
bonds (distance) C4'-P energy: -71.500
bonds (distance) P-C4' energy: -93.040
flat angles C4'-P-C4' energy: -69.186
flat angles P-C4'-P energy: -52.249
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: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -390.580026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.580026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.580026 (E_RNA)
where:
Base-Base interactions energy: -140.759
where: short stacking energy: -119.238
Base-Backbone interact. energy: -0.323
local terms energy: -249.497551
where:
bonds (distance) C4'-P energy: -80.489
bonds (distance) P-C4' energy: -75.991
flat angles C4'-P-C4' energy: -58.450
flat angles P-C4'-P energy: -42.212
tors. eta vs tors. theta energy: 7.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -334.497542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.497542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.497542 (E_RNA)
where:
Base-Base interactions energy: -117.764
where: short stacking energy: -89.158
Base-Backbone interact. energy: -0.767
local terms energy: -215.966150
where:
bonds (distance) C4'-P energy: -78.310
bonds (distance) P-C4' energy: -62.553
flat angles C4'-P-C4' energy: -62.948
flat angles P-C4'-P energy: -33.047
tors. eta vs tors. theta energy: 20.892
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: 1, replica: 6
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1250.436871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.436871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.436871 (E_RNA)
where:
Base-Base interactions energy: -743.945
where: short stacking energy: -464.439
Base-Backbone interact. energy: -1.334
local terms energy: -505.158570
where:
bonds (distance) C4'-P energy: -92.374
bonds (distance) P-C4' energy: -98.262
flat angles C4'-P-C4' energy: -106.953
flat angles P-C4'-P energy: -64.622
tors. eta vs tors. theta energy: -142.947
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: 153
Temperature: 0.950000
Total energy: -992.522824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.522824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.522824 (E_RNA)
where:
Base-Base interactions energy: -573.319
where: short stacking energy: -353.649
Base-Backbone interact. energy: -3.638
local terms energy: -415.565336
where:
bonds (distance) C4'-P energy: -91.411
bonds (distance) P-C4' energy: -91.061
flat angles C4'-P-C4' energy: -87.799
flat angles P-C4'-P energy: -57.737
tors. eta vs tors. theta energy: -87.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -920.921069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.921069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.921069 (E_RNA)
where:
Base-Base interactions energy: -496.837
where: short stacking energy: -342.831
Base-Backbone interact. energy: 2.556
local terms energy: -426.639307
where:
bonds (distance) C4'-P energy: -87.624
bonds (distance) P-C4' energy: -85.988
flat angles C4'-P-C4' energy: -95.755
flat angles P-C4'-P energy: -71.823
tors. eta vs tors. theta energy: -85.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -941.667091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.667091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.667091 (E_RNA)
where:
Base-Base interactions energy: -543.510
where: short stacking energy: -339.663
Base-Backbone interact. energy: -2.317
local terms energy: -395.839909
where:
bonds (distance) C4'-P energy: -66.387
bonds (distance) P-C4' energy: -83.559
flat angles C4'-P-C4' energy: -99.615
flat angles P-C4'-P energy: -51.073
tors. eta vs tors. theta energy: -95.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -663.117761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.117761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.117761 (E_RNA)
where:
Base-Base interactions energy: -300.332
where: short stacking energy: -201.756
Base-Backbone interact. energy: -0.485
local terms energy: -362.300755
where:
bonds (distance) C4'-P energy: -93.224
bonds (distance) P-C4' energy: -92.150
flat angles C4'-P-C4' energy: -96.574
flat angles P-C4'-P energy: -48.278
tors. eta vs tors. theta energy: -32.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -568.816742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.816742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.816742 (E_RNA)
where:
Base-Base interactions energy: -231.587
where: short stacking energy: -166.191
Base-Backbone interact. energy: -0.929
local terms energy: -336.300446
where:
bonds (distance) C4'-P energy: -87.828
bonds (distance) P-C4' energy: -97.568
flat angles C4'-P-C4' energy: -82.354
flat angles P-C4'-P energy: -45.954
tors. eta vs tors. theta energy: -22.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -493.362234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.362234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.362234 (E_RNA)
where:
Base-Base interactions energy: -217.308
where: short stacking energy: -179.415
Base-Backbone interact. energy: 0.126
local terms energy: -276.179640
where:
bonds (distance) C4'-P energy: -70.094
bonds (distance) P-C4' energy: -77.830
flat angles C4'-P-C4' energy: -49.879
flat angles P-C4'-P energy: -47.776
tors. eta vs tors. theta energy: -30.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -423.956091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.956091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.956091 (E_RNA)
where:
Base-Base interactions energy: -152.711
where: short stacking energy: -145.420
Base-Backbone interact. energy: 2.740
local terms energy: -273.985165
where:
bonds (distance) C4'-P energy: -79.784
bonds (distance) P-C4' energy: -74.862
flat angles C4'-P-C4' energy: -70.943
flat angles P-C4'-P energy: -45.491
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -399.869067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.869067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.869067 (E_RNA)
where:
Base-Base interactions energy: -139.426
where: short stacking energy: -120.095
Base-Backbone interact. energy: 0.013
local terms energy: -260.456541
where:
bonds (distance) C4'-P energy: -82.568
bonds (distance) P-C4' energy: -76.825
flat angles C4'-P-C4' energy: -63.365
flat angles P-C4'-P energy: -36.056
tors. eta vs tors. theta energy: -1.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -352.880907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.880907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.880907 (E_RNA)
where:
Base-Base interactions energy: -120.443
where: short stacking energy: -106.762
Base-Backbone interact. energy: 1.276
local terms energy: -233.713865
where:
bonds (distance) C4'-P energy: -73.874
bonds (distance) P-C4' energy: -70.082
flat angles C4'-P-C4' energy: -69.265
flat angles P-C4'-P energy: -45.307
tors. eta vs tors. theta energy: 24.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1242.263682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.263682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.263682 (E_RNA)
where:
Base-Base interactions energy: -725.220
where: short stacking energy: -426.489
Base-Backbone interact. energy: 1.820
local terms energy: -518.863287
where:
bonds (distance) C4'-P energy: -102.942
bonds (distance) P-C4' energy: -106.415
flat angles C4'-P-C4' energy: -95.768
flat angles P-C4'-P energy: -72.525
tors. eta vs tors. theta energy: -141.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1028.087644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.087644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.087644 (E_RNA)
where:
Base-Base interactions energy: -584.210
where: short stacking energy: -371.208
Base-Backbone interact. energy: -0.540
local terms energy: -443.338212
where:
bonds (distance) C4'-P energy: -84.931
bonds (distance) P-C4' energy: -80.671
flat angles C4'-P-C4' energy: -103.065
flat angles P-C4'-P energy: -70.980
tors. eta vs tors. theta energy: -103.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -882.228669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.228669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.228669 (E_RNA)
where:
Base-Base interactions energy: -498.150
where: short stacking energy: -312.052
Base-Backbone interact. energy: -2.252
local terms energy: -381.826697
where:
bonds (distance) C4'-P energy: -87.108
bonds (distance) P-C4' energy: -86.712
flat angles C4'-P-C4' energy: -81.531
flat angles P-C4'-P energy: -63.295
tors. eta vs tors. theta energy: -63.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -916.776840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.776840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.776840 (E_RNA)
where:
Base-Base interactions energy: -504.602
where: short stacking energy: -300.914
Base-Backbone interact. energy: -1.442
local terms energy: -410.732675
where:
bonds (distance) C4'-P energy: -90.672
bonds (distance) P-C4' energy: -93.029
flat angles C4'-P-C4' energy: -89.593
flat angles P-C4'-P energy: -59.222
tors. eta vs tors. theta energy: -78.218
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: 3
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -622.340560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.340560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.340560 (E_RNA)
where:
Base-Base interactions energy: -283.146
where: short stacking energy: -196.762
Base-Backbone interact. energy: -1.259
local terms energy: -337.936239
where:
bonds (distance) C4'-P energy: -81.755
bonds (distance) P-C4' energy: -89.170
flat angles C4'-P-C4' energy: -77.473
flat angles P-C4'-P energy: -56.996
tors. eta vs tors. theta energy: -32.542
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: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -561.459569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.459569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.459569 (E_RNA)
where:
Base-Base interactions energy: -242.728
where: short stacking energy: -180.388
Base-Backbone interact. energy: 1.640
local terms energy: -320.371894
where:
bonds (distance) C4'-P energy: -92.174
bonds (distance) P-C4' energy: -72.719
flat angles C4'-P-C4' energy: -89.681
flat angles P-C4'-P energy: -44.602
tors. eta vs tors. theta energy: -21.196
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: 7, replica: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -463.971261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.971261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.971261 (E_RNA)
where:
Base-Base interactions energy: -170.271
where: short stacking energy: -144.778
Base-Backbone interact. energy: 0.099
local terms energy: -293.798887
where:
bonds (distance) C4'-P energy: -74.705
bonds (distance) P-C4' energy: -86.287
flat angles C4'-P-C4' energy: -76.569
flat angles P-C4'-P energy: -46.584
tors. eta vs tors. theta energy: -9.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -399.433417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.433417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.433417 (E_RNA)
where:
Base-Base interactions energy: -128.105
where: short stacking energy: -116.187
Base-Backbone interact. energy: 5.198
local terms energy: -276.525446
where:
bonds (distance) C4'-P energy: -79.382
bonds (distance) P-C4' energy: -83.550
flat angles C4'-P-C4' energy: -65.487
flat angles P-C4'-P energy: -53.643
tors. eta vs tors. theta energy: 5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -395.426046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.426046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.426046 (E_RNA)
where:
Base-Base interactions energy: -134.272
where: short stacking energy: -130.423
Base-Backbone interact. energy: 0.889
local terms energy: -262.043088
where:
bonds (distance) C4'-P energy: -81.822
bonds (distance) P-C4' energy: -77.448
flat angles C4'-P-C4' energy: -64.926
flat angles P-C4'-P energy: -37.032
tors. eta vs tors. theta energy: -0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -388.942303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.942303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.942303 (E_RNA)
where:
Base-Base interactions energy: -140.173
where: short stacking energy: -101.557
Base-Backbone interact. energy: -1.711
local terms energy: -247.058361
where:
bonds (distance) C4'-P energy: -92.328
bonds (distance) P-C4' energy: -80.915
flat angles C4'-P-C4' energy: -51.364
flat angles P-C4'-P energy: -33.541
tors. eta vs tors. theta energy: 11.090
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: 6
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1250.847669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.847669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.847669 (E_RNA)
where:
Base-Base interactions energy: -749.070
where: short stacking energy: -428.111
Base-Backbone interact. energy: -0.747
local terms energy: -501.031132
where:
bonds (distance) C4'-P energy: -96.264
bonds (distance) P-C4' energy: -98.512
flat angles C4'-P-C4' energy: -105.166
flat angles P-C4'-P energy: -63.172
tors. eta vs tors. theta energy: -137.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1028.064254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.064254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.064254 (E_RNA)
where:
Base-Base interactions energy: -579.361
where: short stacking energy: -377.737
Base-Backbone interact. energy: -1.212
local terms energy: -447.491374
where:
bonds (distance) C4'-P energy: -82.536
bonds (distance) P-C4' energy: -95.176
flat angles C4'-P-C4' energy: -93.660
flat angles P-C4'-P energy: -70.239
tors. eta vs tors. theta energy: -105.881
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: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -940.277387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.277387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.277387 (E_RNA)
where:
Base-Base interactions energy: -498.426
where: short stacking energy: -333.855
Base-Backbone interact. energy: -2.157
local terms energy: -439.694539
where:
bonds (distance) C4'-P energy: -91.874
bonds (distance) P-C4' energy: -92.744
flat angles C4'-P-C4' energy: -92.579
flat angles P-C4'-P energy: -67.237
tors. eta vs tors. theta energy: -95.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -933.338467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.338467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.338467 (E_RNA)
where:
Base-Base interactions energy: -531.371
where: short stacking energy: -312.203
Base-Backbone interact. energy: -1.113
local terms energy: -400.854262
where:
bonds (distance) C4'-P energy: -91.328
bonds (distance) P-C4' energy: -96.532
flat angles C4'-P-C4' energy: -86.571
flat angles P-C4'-P energy: -52.428
tors. eta vs tors. theta energy: -73.996
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: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -653.232959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.232959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.232959 (E_RNA)
where:
Base-Base interactions energy: -292.825
where: short stacking energy: -211.534
Base-Backbone interact. energy: -0.176
local terms energy: -360.232127
where:
bonds (distance) C4'-P energy: -92.929
bonds (distance) P-C4' energy: -89.656
flat angles C4'-P-C4' energy: -82.154
flat angles P-C4'-P energy: -47.118
tors. eta vs tors. theta energy: -48.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -558.570135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.570135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.570135 (E_RNA)
where:
Base-Base interactions energy: -252.790
where: short stacking energy: -175.521
Base-Backbone interact. energy: -0.130
local terms energy: -305.649371
where:
bonds (distance) C4'-P energy: -71.009
bonds (distance) P-C4' energy: -84.700
flat angles C4'-P-C4' energy: -89.219
flat angles P-C4'-P energy: -36.319
tors. eta vs tors. theta energy: -24.402
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: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -444.373504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.373504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.373504 (E_RNA)
where:
Base-Base interactions energy: -153.799
where: short stacking energy: -120.078
Base-Backbone interact. energy: 0.343
local terms energy: -290.917183
where:
bonds (distance) C4'-P energy: -97.208
bonds (distance) P-C4' energy: -84.793
flat angles C4'-P-C4' energy: -71.404
flat angles P-C4'-P energy: -38.345
tors. eta vs tors. theta energy: 0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -425.005490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.005490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.005490 (E_RNA)
where:
Base-Base interactions energy: -131.552
where: short stacking energy: -121.095
Base-Backbone interact. energy: -0.198
local terms energy: -293.255663
where:
bonds (distance) C4'-P energy: -90.712
bonds (distance) P-C4' energy: -80.609
flat angles C4'-P-C4' energy: -66.512
flat angles P-C4'-P energy: -55.766
tors. eta vs tors. theta energy: 0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -375.432558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.432558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.432558 (E_RNA)
where:
Base-Base interactions energy: -127.234
where: short stacking energy: -114.624
Base-Backbone interact. energy: 0.024
local terms energy: -248.222671
where:
bonds (distance) C4'-P energy: -79.534
bonds (distance) P-C4' energy: -77.082
flat angles C4'-P-C4' energy: -66.624
flat angles P-C4'-P energy: -44.123
tors. eta vs tors. theta energy: 19.140
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: 155
Temperature: 1.350000
Total energy: -356.884634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.884634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.884634 (E_RNA)
where:
Base-Base interactions energy: -120.584
where: short stacking energy: -96.307
Base-Backbone interact. energy: 3.391
local terms energy: -239.692346
where:
bonds (distance) C4'-P energy: -77.152
bonds (distance) P-C4' energy: -77.650
flat angles C4'-P-C4' energy: -68.397
flat angles P-C4'-P energy: -33.272
tors. eta vs tors. theta energy: 16.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1258.144585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.144585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.144585 (E_RNA)
where:
Base-Base interactions energy: -755.265
where: short stacking energy: -442.765
Base-Backbone interact. energy: -0.602
local terms energy: -502.277382
where:
bonds (distance) C4'-P energy: -87.739
bonds (distance) P-C4' energy: -102.682
flat angles C4'-P-C4' energy: -98.120
flat angles P-C4'-P energy: -74.267
tors. eta vs tors. theta energy: -139.469
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: 156
Temperature: 0.950000
Total energy: -1014.890800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.890800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.890800 (E_RNA)
where:
Base-Base interactions energy: -565.917
where: short stacking energy: -368.303
Base-Backbone interact. energy: -0.979
local terms energy: -447.994794
where:
bonds (distance) C4'-P energy: -83.967
bonds (distance) P-C4' energy: -97.875
flat angles C4'-P-C4' energy: -104.299
flat angles P-C4'-P energy: -61.059
tors. eta vs tors. theta energy: -100.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -923.646600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.646600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.646600 (E_RNA)
where:
Base-Base interactions energy: -509.581
where: short stacking energy: -325.890
Base-Backbone interact. energy: -3.461
local terms energy: -410.604414
where:
bonds (distance) C4'-P energy: -72.491
bonds (distance) P-C4' energy: -104.000
flat angles C4'-P-C4' energy: -84.576
flat angles P-C4'-P energy: -67.471
tors. eta vs tors. theta energy: -82.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -944.735654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.735654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.735654 (E_RNA)
where:
Base-Base interactions energy: -533.729
where: short stacking energy: -322.258
Base-Backbone interact. energy: -2.063
local terms energy: -408.943721
where:
bonds (distance) C4'-P energy: -94.572
bonds (distance) P-C4' energy: -83.000
flat angles C4'-P-C4' energy: -87.817
flat angles P-C4'-P energy: -53.081
tors. eta vs tors. theta energy: -90.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -626.240935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.240935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.240935 (E_RNA)
where:
Base-Base interactions energy: -285.034
where: short stacking energy: -200.459
Base-Backbone interact. energy: 4.421
local terms energy: -345.628528
where:
bonds (distance) C4'-P energy: -81.991
bonds (distance) P-C4' energy: -91.380
flat angles C4'-P-C4' energy: -75.709
flat angles P-C4'-P energy: -55.628
tors. eta vs tors. theta energy: -40.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -557.087684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.087684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.087684 (E_RNA)
where:
Base-Base interactions energy: -256.862
where: short stacking energy: -196.502
Base-Backbone interact. energy: -0.804
local terms energy: -299.421478
where:
bonds (distance) C4'-P energy: -81.063
bonds (distance) P-C4' energy: -75.750
flat angles C4'-P-C4' energy: -69.309
flat angles P-C4'-P energy: -48.209
tors. eta vs tors. theta energy: -25.090
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: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -446.823473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.823473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.823473 (E_RNA)
where:
Base-Base interactions energy: -141.527
where: short stacking energy: -133.921
Base-Backbone interact. energy: 0.634
local terms energy: -305.930662
where:
bonds (distance) C4'-P energy: -74.495
bonds (distance) P-C4' energy: -91.260
flat angles C4'-P-C4' energy: -79.729
flat angles P-C4'-P energy: -59.807
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -427.385157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.385157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.385157 (E_RNA)
where:
Base-Base interactions energy: -160.675
where: short stacking energy: -143.671
Base-Backbone interact. energy: 0.550
local terms energy: -267.260357
where:
bonds (distance) C4'-P energy: -78.998
bonds (distance) P-C4' energy: -66.019
flat angles C4'-P-C4' energy: -68.352
flat angles P-C4'-P energy: -42.714
tors. eta vs tors. theta energy: -11.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -407.926353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.926353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.926353 (E_RNA)
where:
Base-Base interactions energy: -130.808
where: short stacking energy: -116.796
Base-Backbone interact. energy: 1.085
local terms energy: -278.204038
where:
bonds (distance) C4'-P energy: -91.170
bonds (distance) P-C4' energy: -75.966
flat angles C4'-P-C4' energy: -71.771
flat angles P-C4'-P energy: -42.169
tors. eta vs tors. theta energy: 2.872
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: 156
Temperature: 1.350000
Total energy: -352.681743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.681743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.681743 (E_RNA)
where:
Base-Base interactions energy: -134.805
where: short stacking energy: -120.280
Base-Backbone interact. energy: -0.953
local terms energy: -216.924324
where:
bonds (distance) C4'-P energy: -65.224
bonds (distance) P-C4' energy: -75.356
flat angles C4'-P-C4' energy: -56.937
flat angles P-C4'-P energy: -27.363
tors. eta vs tors. theta energy: 7.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1263.735457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.735457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.735457 (E_RNA)
where:
Base-Base interactions energy: -761.059
where: short stacking energy: -452.614
Base-Backbone interact. energy: -1.945
local terms energy: -500.731227
where:
bonds (distance) C4'-P energy: -96.411
bonds (distance) P-C4' energy: -88.958
flat angles C4'-P-C4' energy: -115.557
flat angles P-C4'-P energy: -61.419
tors. eta vs tors. theta energy: -138.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -998.761839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.761839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.761839 (E_RNA)
where:
Base-Base interactions energy: -561.293
where: short stacking energy: -349.420
Base-Backbone interact. energy: 0.327
local terms energy: -437.795577
where:
bonds (distance) C4'-P energy: -83.416
bonds (distance) P-C4' energy: -89.888
flat angles C4'-P-C4' energy: -100.330
flat angles P-C4'-P energy: -70.306
tors. eta vs tors. theta energy: -93.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -907.030323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.030323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.030323 (E_RNA)
where:
Base-Base interactions energy: -504.095
where: short stacking energy: -320.887
Base-Backbone interact. energy: -0.533
local terms energy: -402.402054
where:
bonds (distance) C4'-P energy: -90.477
bonds (distance) P-C4' energy: -79.154
flat angles C4'-P-C4' energy: -100.401
flat angles P-C4'-P energy: -61.033
tors. eta vs tors. theta energy: -71.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -949.669651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.669651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.669651 (E_RNA)
where:
Base-Base interactions energy: -535.904
where: short stacking energy: -312.320
Base-Backbone interact. energy: -1.203
local terms energy: -412.563175
where:
bonds (distance) C4'-P energy: -85.873
bonds (distance) P-C4' energy: -76.979
flat angles C4'-P-C4' energy: -90.411
flat angles P-C4'-P energy: -62.031
tors. eta vs tors. theta energy: -97.269
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: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -624.621917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.621917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.621917 (E_RNA)
where:
Base-Base interactions energy: -295.907
where: short stacking energy: -210.858
Base-Backbone interact. energy: 1.115
local terms energy: -329.829270
where:
bonds (distance) C4'-P energy: -78.136
bonds (distance) P-C4' energy: -88.205
flat angles C4'-P-C4' energy: -84.015
flat angles P-C4'-P energy: -54.287
tors. eta vs tors. theta energy: -25.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -522.793820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.793820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.793820 (E_RNA)
where:
Base-Base interactions energy: -210.630
where: short stacking energy: -164.127
Base-Backbone interact. energy: 1.497
local terms energy: -313.660686
where:
bonds (distance) C4'-P energy: -82.576
bonds (distance) P-C4' energy: -80.476
flat angles C4'-P-C4' energy: -76.641
flat angles P-C4'-P energy: -49.411
tors. eta vs tors. theta energy: -24.556
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: 7, replica: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -458.841010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.841010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.841010 (E_RNA)
where:
Base-Base interactions energy: -156.521
where: short stacking energy: -130.713
Base-Backbone interact. energy: -1.160
local terms energy: -301.159489
where:
bonds (distance) C4'-P energy: -84.169
bonds (distance) P-C4' energy: -81.190
flat angles C4'-P-C4' energy: -69.780
flat angles P-C4'-P energy: -49.844
tors. eta vs tors. theta energy: -16.176
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: 5
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -406.754625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.754625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.754625 (E_RNA)
where:
Base-Base interactions energy: -134.046
where: short stacking energy: -117.611
Base-Backbone interact. energy: -2.490
local terms energy: -270.217957
where:
bonds (distance) C4'-P energy: -73.504
bonds (distance) P-C4' energy: -93.935
flat angles C4'-P-C4' energy: -66.848
flat angles P-C4'-P energy: -49.812
tors. eta vs tors. theta energy: 13.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -450.863152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.863152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.863152 (E_RNA)
where:
Base-Base interactions energy: -170.642
where: short stacking energy: -149.999
Base-Backbone interact. energy: -1.062
local terms energy: -279.158274
where:
bonds (distance) C4'-P energy: -72.250
bonds (distance) P-C4' energy: -68.122
flat angles C4'-P-C4' energy: -63.299
flat angles P-C4'-P energy: -49.576
tors. eta vs tors. theta energy: -25.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -354.499628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.499628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.499628 (E_RNA)
where:
Base-Base interactions energy: -110.051
where: short stacking energy: -96.074
Base-Backbone interact. energy: 2.314
local terms energy: -246.762405
where:
bonds (distance) C4'-P energy: -73.286
bonds (distance) P-C4' energy: -88.004
flat angles C4'-P-C4' energy: -70.613
flat angles P-C4'-P energy: -39.183
tors. eta vs tors. theta energy: 24.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1243.343851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.343851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.343851 (E_RNA)
where:
Base-Base interactions energy: -745.054
where: short stacking energy: -434.111
Base-Backbone interact. energy: -0.359
local terms energy: -497.930459
where:
bonds (distance) C4'-P energy: -101.661
bonds (distance) P-C4' energy: -90.300
flat angles C4'-P-C4' energy: -101.690
flat angles P-C4'-P energy: -58.538
tors. eta vs tors. theta energy: -145.742
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: 158
Temperature: 0.950000
Total energy: -1073.334395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.334395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.334395 (E_RNA)
where:
Base-Base interactions energy: -612.014
where: short stacking energy: -375.072
Base-Backbone interact. energy: -0.754
local terms energy: -460.566363
where:
bonds (distance) C4'-P energy: -100.877
bonds (distance) P-C4' energy: -88.027
flat angles C4'-P-C4' energy: -102.008
flat angles P-C4'-P energy: -56.429
tors. eta vs tors. theta energy: -113.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -963.102148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.102148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.102148 (E_RNA)
where:
Base-Base interactions energy: -565.458
where: short stacking energy: -332.252
Base-Backbone interact. energy: -0.400
local terms energy: -397.244334
where:
bonds (distance) C4'-P energy: -86.631
bonds (distance) P-C4' energy: -83.440
flat angles C4'-P-C4' energy: -90.666
flat angles P-C4'-P energy: -52.534
tors. eta vs tors. theta energy: -83.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -843.930572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.930572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.930572 (E_RNA)
where:
Base-Base interactions energy: -455.350
where: short stacking energy: -274.727
Base-Backbone interact. energy: -0.695
local terms energy: -387.884920
where:
bonds (distance) C4'-P energy: -92.680
bonds (distance) P-C4' energy: -88.606
flat angles C4'-P-C4' energy: -82.974
flat angles P-C4'-P energy: -63.229
tors. eta vs tors. theta energy: -60.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -628.000538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.000538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.000538 (E_RNA)
where:
Base-Base interactions energy: -278.523
where: short stacking energy: -197.427
Base-Backbone interact. energy: 6.529
local terms energy: -356.006411
where:
bonds (distance) C4'-P energy: -90.250
bonds (distance) P-C4' energy: -91.287
flat angles C4'-P-C4' energy: -80.843
flat angles P-C4'-P energy: -50.944
tors. eta vs tors. theta energy: -42.682
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: 6, replica: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -551.895171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.895171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.895171 (E_RNA)
where:
Base-Base interactions energy: -228.264
where: short stacking energy: -179.120
Base-Backbone interact. energy: 0.015
local terms energy: -323.646171
where:
bonds (distance) C4'-P energy: -82.900
bonds (distance) P-C4' energy: -80.978
flat angles C4'-P-C4' energy: -83.495
flat angles P-C4'-P energy: -54.691
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: 7, replica: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -451.705947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.705947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.705947 (E_RNA)
where:
Base-Base interactions energy: -168.929
where: short stacking energy: -142.494
Base-Backbone interact. energy: 1.734
local terms energy: -284.510051
where:
bonds (distance) C4'-P energy: -87.464
bonds (distance) P-C4' energy: -81.799
flat angles C4'-P-C4' energy: -62.424
flat angles P-C4'-P energy: -41.771
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -444.858716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.858716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.858716 (E_RNA)
where:
Base-Base interactions energy: -197.811
where: short stacking energy: -147.148
Base-Backbone interact. energy: 5.026
local terms energy: -252.073555
where:
bonds (distance) C4'-P energy: -73.990
bonds (distance) P-C4' energy: -83.277
flat angles C4'-P-C4' energy: -54.529
flat angles P-C4'-P energy: -43.883
tors. eta vs tors. theta energy: 3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -379.445318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.445318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.445318 (E_RNA)
where:
Base-Base interactions energy: -142.048
where: short stacking energy: -107.439
Base-Backbone interact. energy: -1.878
local terms energy: -235.519842
where:
bonds (distance) C4'-P energy: -66.979
bonds (distance) P-C4' energy: -79.042
flat angles C4'-P-C4' energy: -61.862
flat angles P-C4'-P energy: -40.982
tors. eta vs tors. theta energy: 13.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -354.367072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.367072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.367072 (E_RNA)
where:
Base-Base interactions energy: -105.363
where: short stacking energy: -89.342
Base-Backbone interact. energy: -1.657
local terms energy: -247.347241
where:
bonds (distance) C4'-P energy: -83.630
bonds (distance) P-C4' energy: -80.562
flat angles C4'-P-C4' energy: -68.133
flat angles P-C4'-P energy: -32.989
tors. eta vs tors. theta energy: 17.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1279.169430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.169430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.169430 (E_RNA)
where:
Base-Base interactions energy: -771.513
where: short stacking energy: -479.395
Base-Backbone interact. energy: -0.939
local terms energy: -506.717350
where:
bonds (distance) C4'-P energy: -89.167
bonds (distance) P-C4' energy: -87.867
flat angles C4'-P-C4' energy: -110.146
flat angles P-C4'-P energy: -62.125
tors. eta vs tors. theta energy: -157.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1071.284292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.284292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.284292 (E_RNA)
where:
Base-Base interactions energy: -602.767
where: short stacking energy: -387.224
Base-Backbone interact. energy: -0.100
local terms energy: -468.417554
where:
bonds (distance) C4'-P energy: -93.935
bonds (distance) P-C4' energy: -96.049
flat angles C4'-P-C4' energy: -86.668
flat angles P-C4'-P energy: -73.758
tors. eta vs tors. theta energy: -118.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -912.413120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.413120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.413120 (E_RNA)
where:
Base-Base interactions energy: -520.569
where: short stacking energy: -303.017
Base-Backbone interact. energy: -0.433
local terms energy: -391.411366
where:
bonds (distance) C4'-P energy: -74.541
bonds (distance) P-C4' energy: -81.630
flat angles C4'-P-C4' energy: -98.496
flat angles P-C4'-P energy: -58.655
tors. eta vs tors. theta energy: -78.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -864.160224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.160224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.160224 (E_RNA)
where:
Base-Base interactions energy: -446.855
where: short stacking energy: -296.205
Base-Backbone interact. energy: -0.771
local terms energy: -416.534882
where:
bonds (distance) C4'-P energy: -82.399
bonds (distance) P-C4' energy: -97.026
flat angles C4'-P-C4' energy: -92.251
flat angles P-C4'-P energy: -64.239
tors. eta vs tors. theta energy: -80.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -616.696463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.696463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.696463 (E_RNA)
where:
Base-Base interactions energy: -260.360
where: short stacking energy: -188.534
Base-Backbone interact. energy: -1.861
local terms energy: -354.475528
where:
bonds (distance) C4'-P energy: -98.572
bonds (distance) P-C4' energy: -99.904
flat angles C4'-P-C4' energy: -78.982
flat angles P-C4'-P energy: -51.859
tors. eta vs tors. theta energy: -25.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -545.181885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.181885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.181885 (E_RNA)
where:
Base-Base interactions energy: -237.934
where: short stacking energy: -180.221
Base-Backbone interact. energy: -1.026
local terms energy: -306.221642
where:
bonds (distance) C4'-P energy: -76.929
bonds (distance) P-C4' energy: -92.431
flat angles C4'-P-C4' energy: -76.528
flat angles P-C4'-P energy: -39.445
tors. eta vs tors. theta energy: -20.889
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: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -433.811051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.811051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.811051 (E_RNA)
where:
Base-Base interactions energy: -140.867
where: short stacking energy: -130.679
Base-Backbone interact. energy: 4.372
local terms energy: -297.316008
where:
bonds (distance) C4'-P energy: -79.207
bonds (distance) P-C4' energy: -79.804
flat angles C4'-P-C4' energy: -80.517
flat angles P-C4'-P energy: -50.571
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -402.761365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.761365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.761365 (E_RNA)
where:
Base-Base interactions energy: -140.281
where: short stacking energy: -126.681
Base-Backbone interact. energy: -1.825
local terms energy: -260.654699
where:
bonds (distance) C4'-P energy: -77.945
bonds (distance) P-C4' energy: -80.439
flat angles C4'-P-C4' energy: -62.818
flat angles P-C4'-P energy: -41.795
tors. eta vs tors. theta energy: 2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -415.754040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.754040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.754040 (E_RNA)
where:
Base-Base interactions energy: -160.422
where: short stacking energy: -122.349
Base-Backbone interact. energy: 0.640
local terms energy: -255.971419
where:
bonds (distance) C4'-P energy: -73.543
bonds (distance) P-C4' energy: -83.267
flat angles C4'-P-C4' energy: -60.687
flat angles P-C4'-P energy: -42.535
tors. eta vs tors. theta energy: 4.060
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: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -348.120850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.120850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.120850 (E_RNA)
where:
Base-Base interactions energy: -122.162
where: short stacking energy: -112.916
Base-Backbone interact. energy: 0.834
local terms energy: -226.792876
where:
bonds (distance) C4'-P energy: -67.032
bonds (distance) P-C4' energy: -64.265
flat angles C4'-P-C4' energy: -74.595
flat angles P-C4'-P energy: -38.643
tors. eta vs tors. theta energy: 17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1259.638042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.638042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.638042 (E_RNA)
where:
Base-Base interactions energy: -757.795
where: short stacking energy: -475.045
Base-Backbone interact. energy: -1.159
local terms energy: -500.684339
where:
bonds (distance) C4'-P energy: -82.977
bonds (distance) P-C4' energy: -99.521
flat angles C4'-P-C4' energy: -110.307
flat angles P-C4'-P energy: -63.961
tors. eta vs tors. theta energy: -143.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1054.917571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.917571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.917571 (E_RNA)
where:
Base-Base interactions energy: -606.948
where: short stacking energy: -355.009
Base-Backbone interact. energy: -0.972
local terms energy: -446.997641
where:
bonds (distance) C4'-P energy: -92.595
bonds (distance) P-C4' energy: -98.953
flat angles C4'-P-C4' energy: -102.056
flat angles P-C4'-P energy: -60.731
tors. eta vs tors. theta energy: -92.663
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: 3, replica: 7
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -931.110629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.110629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.110629 (E_RNA)
where:
Base-Base interactions energy: -530.774
where: short stacking energy: -294.330
Base-Backbone interact. energy: 4.081
local terms energy: -404.417420
where:
bonds (distance) C4'-P energy: -87.094
bonds (distance) P-C4' energy: -93.206
flat angles C4'-P-C4' energy: -92.600
flat angles P-C4'-P energy: -57.660
tors. eta vs tors. theta energy: -73.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -796.143258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.143258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.143258 (E_RNA)
where:
Base-Base interactions energy: -418.315
where: short stacking energy: -236.685
Base-Backbone interact. energy: -0.640
local terms energy: -377.187627
where:
bonds (distance) C4'-P energy: -89.101
bonds (distance) P-C4' energy: -91.985
flat angles C4'-P-C4' energy: -85.209
flat angles P-C4'-P energy: -56.968
tors. eta vs tors. theta energy: -53.925
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: 160
Temperature: 1.100000
Total energy: -635.140372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.140372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.140372 (E_RNA)
where:
Base-Base interactions energy: -299.790
where: short stacking energy: -189.038
Base-Backbone interact. energy: -0.476
local terms energy: -334.873827
where:
bonds (distance) C4'-P energy: -87.067
bonds (distance) P-C4' energy: -88.620
flat angles C4'-P-C4' energy: -79.561
flat angles P-C4'-P energy: -52.512
tors. eta vs tors. theta energy: -27.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -570.808912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.808912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.808912 (E_RNA)
where:
Base-Base interactions energy: -247.958
where: short stacking energy: -174.338
Base-Backbone interact. energy: -1.376
local terms energy: -321.475318
where:
bonds (distance) C4'-P energy: -84.271
bonds (distance) P-C4' energy: -90.609
flat angles C4'-P-C4' energy: -75.287
flat angles P-C4'-P energy: -43.995
tors. eta vs tors. theta energy: -27.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -455.700490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.700490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.700490 (E_RNA)
where:
Base-Base interactions energy: -168.395
where: short stacking energy: -152.602
Base-Backbone interact. energy: 1.408
local terms energy: -288.712746
where:
bonds (distance) C4'-P energy: -67.682
bonds (distance) P-C4' energy: -83.360
flat angles C4'-P-C4' energy: -76.892
flat angles P-C4'-P energy: -45.188
tors. eta vs tors. theta energy: -15.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -424.757489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.757489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.757489 (E_RNA)
where:
Base-Base interactions energy: -145.747
where: short stacking energy: -118.236
Base-Backbone interact. energy: -3.199
local terms energy: -275.811405
where:
bonds (distance) C4'-P energy: -98.651
bonds (distance) P-C4' energy: -69.950
flat angles C4'-P-C4' energy: -70.989
flat angles P-C4'-P energy: -45.847
tors. eta vs tors. theta energy: 9.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -388.405112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.405112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.405112 (E_RNA)
where:
Base-Base interactions energy: -129.589
where: short stacking energy: -117.329
Base-Backbone interact. energy: 0.015
local terms energy: -258.830253
where:
bonds (distance) C4'-P energy: -78.802
bonds (distance) P-C4' energy: -85.617
flat angles C4'-P-C4' energy: -64.103
flat angles P-C4'-P energy: -31.015
tors. eta vs tors. theta energy: 0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -334.867965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.867965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.867965 (E_RNA)
where:
Base-Base interactions energy: -106.547
where: short stacking energy: -99.036
Base-Backbone interact. energy: 0.004
local terms energy: -228.324929
where:
bonds (distance) C4'-P energy: -71.545
bonds (distance) P-C4' energy: -81.231
flat angles C4'-P-C4' energy: -65.781
flat angles P-C4'-P energy: -28.619
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: 6
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1243.404205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.404205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.404205 (E_RNA)
where:
Base-Base interactions energy: -741.471
where: short stacking energy: -434.236
Base-Backbone interact. energy: -1.082
local terms energy: -500.851250
where:
bonds (distance) C4'-P energy: -94.888
bonds (distance) P-C4' energy: -91.091
flat angles C4'-P-C4' energy: -104.716
flat angles P-C4'-P energy: -65.107
tors. eta vs tors. theta energy: -145.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1085.925901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.925901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.925901 (E_RNA)
where:
Base-Base interactions energy: -640.779
where: short stacking energy: -383.808
Base-Backbone interact. energy: -1.072
local terms energy: -444.075210
where:
bonds (distance) C4'-P energy: -101.016
bonds (distance) P-C4' energy: -83.134
flat angles C4'-P-C4' energy: -89.113
flat angles P-C4'-P energy: -59.019
tors. eta vs tors. theta energy: -111.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -963.663436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.663436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.663436 (E_RNA)
where:
Base-Base interactions energy: -524.056
where: short stacking energy: -329.946
Base-Backbone interact. energy: -0.440
local terms energy: -439.167380
where:
bonds (distance) C4'-P energy: -95.515
bonds (distance) P-C4' energy: -94.827
flat angles C4'-P-C4' energy: -92.393
flat angles P-C4'-P energy: -60.661
tors. eta vs tors. theta energy: -95.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -790.454703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.454703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.454703 (E_RNA)
where:
Base-Base interactions energy: -413.017
where: short stacking energy: -257.019
Base-Backbone interact. energy: -2.013
local terms energy: -375.424494
where:
bonds (distance) C4'-P energy: -81.842
bonds (distance) P-C4' energy: -82.619
flat angles C4'-P-C4' energy: -80.356
flat angles P-C4'-P energy: -60.798
tors. eta vs tors. theta energy: -69.808
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: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -608.416345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.416345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.416345 (E_RNA)
where:
Base-Base interactions energy: -269.760
where: short stacking energy: -198.657
Base-Backbone interact. energy: 0.031
local terms energy: -338.686859
where:
bonds (distance) C4'-P energy: -69.002
bonds (distance) P-C4' energy: -91.962
flat angles C4'-P-C4' energy: -93.243
flat angles P-C4'-P energy: -48.555
tors. eta vs tors. theta energy: -35.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -545.322633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.322633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.322633 (E_RNA)
where:
Base-Base interactions energy: -243.426
where: short stacking energy: -181.825
Base-Backbone interact. energy: 1.059
local terms energy: -302.955506
where:
bonds (distance) C4'-P energy: -76.991
bonds (distance) P-C4' energy: -76.695
flat angles C4'-P-C4' energy: -71.394
flat angles P-C4'-P energy: -46.780
tors. eta vs tors. theta energy: -31.097
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: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -447.074199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.074199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.074199 (E_RNA)
where:
Base-Base interactions energy: -137.818
where: short stacking energy: -124.682
Base-Backbone interact. energy: 0.428
local terms energy: -309.684216
where:
bonds (distance) C4'-P energy: -89.388
bonds (distance) P-C4' energy: -96.213
flat angles C4'-P-C4' energy: -78.830
flat angles P-C4'-P energy: -43.504
tors. eta vs tors. theta energy: -1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -403.820711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.820711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.820711 (E_RNA)
where:
Base-Base interactions energy: -152.939
where: short stacking energy: -138.701
Base-Backbone interact. energy: 0.023
local terms energy: -250.904183
where:
bonds (distance) C4'-P energy: -85.148
bonds (distance) P-C4' energy: -79.244
flat angles C4'-P-C4' energy: -52.927
flat angles P-C4'-P energy: -40.238
tors. eta vs tors. theta energy: 6.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -384.701469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.701469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.701469 (E_RNA)
where:
Base-Base interactions energy: -143.794
where: short stacking energy: -119.962
Base-Backbone interact. energy: 3.979
local terms energy: -244.885969
where:
bonds (distance) C4'-P energy: -61.482
bonds (distance) P-C4' energy: -73.000
flat angles C4'-P-C4' energy: -72.514
flat angles P-C4'-P energy: -42.570
tors. eta vs tors. theta energy: 4.680
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: 1
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -345.036231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.036231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.036231 (E_RNA)
where:
Base-Base interactions energy: -87.315
where: short stacking energy: -73.498
Base-Backbone interact. energy: 0.014
local terms energy: -257.734840
where:
bonds (distance) C4'-P energy: -77.389
bonds (distance) P-C4' energy: -74.764
flat angles C4'-P-C4' energy: -72.788
flat angles P-C4'-P energy: -45.266
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: 1, replica: 6
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1232.957168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.957168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.957168 (E_RNA)
where:
Base-Base interactions energy: -741.273
where: short stacking energy: -433.860
Base-Backbone interact. energy: -1.214
local terms energy: -490.470208
where:
bonds (distance) C4'-P energy: -83.885
bonds (distance) P-C4' energy: -95.968
flat angles C4'-P-C4' energy: -107.588
flat angles P-C4'-P energy: -68.275
tors. eta vs tors. theta energy: -134.755
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: 162
Temperature: 0.950000
Total energy: -1067.307527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.307527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.307527 (E_RNA)
where:
Base-Base interactions energy: -628.446
where: short stacking energy: -371.378
Base-Backbone interact. energy: -1.429
local terms energy: -437.432502
where:
bonds (distance) C4'-P energy: -89.026
bonds (distance) P-C4' energy: -88.651
flat angles C4'-P-C4' energy: -92.492
flat angles P-C4'-P energy: -63.548
tors. eta vs tors. theta energy: -103.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -960.580314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.580314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.580314 (E_RNA)
where:
Base-Base interactions energy: -547.071
where: short stacking energy: -318.670
Base-Backbone interact. energy: -1.971
local terms energy: -411.538678
where:
bonds (distance) C4'-P energy: -94.112
bonds (distance) P-C4' energy: -90.089
flat angles C4'-P-C4' energy: -94.942
flat angles P-C4'-P energy: -52.661
tors. eta vs tors. theta energy: -79.734
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: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -844.926934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.926934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.926934 (E_RNA)
where:
Base-Base interactions energy: -456.531
where: short stacking energy: -279.033
Base-Backbone interact. energy: -1.557
local terms energy: -386.839126
where:
bonds (distance) C4'-P energy: -79.518
bonds (distance) P-C4' energy: -88.820
flat angles C4'-P-C4' energy: -86.435
flat angles P-C4'-P energy: -61.185
tors. eta vs tors. theta energy: -70.880
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: 9
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -597.461935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.461935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.461935 (E_RNA)
where:
Base-Base interactions energy: -261.993
where: short stacking energy: -195.305
Base-Backbone interact. energy: -0.092
local terms energy: -335.376492
where:
bonds (distance) C4'-P energy: -80.634
bonds (distance) P-C4' energy: -96.941
flat angles C4'-P-C4' energy: -69.609
flat angles P-C4'-P energy: -54.846
tors. eta vs tors. theta energy: -33.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -538.299727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.299727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.299727 (E_RNA)
where:
Base-Base interactions energy: -212.544
where: short stacking energy: -143.434
Base-Backbone interact. energy: 0.029
local terms energy: -325.784569
where:
bonds (distance) C4'-P energy: -84.322
bonds (distance) P-C4' energy: -89.318
flat angles C4'-P-C4' energy: -84.423
flat angles P-C4'-P energy: -50.654
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -451.835161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.835161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.835161 (E_RNA)
where:
Base-Base interactions energy: -160.415
where: short stacking energy: -139.994
Base-Backbone interact. energy: -0.234
local terms energy: -291.186431
where:
bonds (distance) C4'-P energy: -87.263
bonds (distance) P-C4' energy: -88.583
flat angles C4'-P-C4' energy: -71.992
flat angles P-C4'-P energy: -43.572
tors. eta vs tors. theta energy: 0.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -413.786314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.786314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.786314 (E_RNA)
where:
Base-Base interactions energy: -163.289
where: short stacking energy: -137.227
Base-Backbone interact. energy: -2.357
local terms energy: -248.140011
where:
bonds (distance) C4'-P energy: -68.191
bonds (distance) P-C4' energy: -70.683
flat angles C4'-P-C4' energy: -78.347
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -378.910434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.910434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.910434 (E_RNA)
where:
Base-Base interactions energy: -124.975
where: short stacking energy: -122.045
Base-Backbone interact. energy: 2.330
local terms energy: -256.265099
where:
bonds (distance) C4'-P energy: -75.131
bonds (distance) P-C4' energy: -73.223
flat angles C4'-P-C4' energy: -63.053
flat angles P-C4'-P energy: -50.195
tors. eta vs tors. theta energy: 5.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -358.325130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.325130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.325130 (E_RNA)
where:
Base-Base interactions energy: -112.087
where: short stacking energy: -104.381
Base-Backbone interact. energy: -0.497
local terms energy: -245.740792
where:
bonds (distance) C4'-P energy: -78.643
bonds (distance) P-C4' energy: -84.298
flat angles C4'-P-C4' energy: -55.002
flat angles P-C4'-P energy: -34.251
tors. eta vs tors. theta energy: 6.454
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: 6
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1237.105384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.105384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.105384 (E_RNA)
where:
Base-Base interactions energy: -761.064
where: short stacking energy: -446.820
Base-Backbone interact. energy: 0.293
local terms energy: -476.334712
where:
bonds (distance) C4'-P energy: -86.304
bonds (distance) P-C4' energy: -85.393
flat angles C4'-P-C4' energy: -104.929
flat angles P-C4'-P energy: -68.383
tors. eta vs tors. theta energy: -131.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1070.883341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.883341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.883341 (E_RNA)
where:
Base-Base interactions energy: -621.045
where: short stacking energy: -355.362
Base-Backbone interact. energy: 0.957
local terms energy: -450.795597
where:
bonds (distance) C4'-P energy: -85.258
bonds (distance) P-C4' energy: -95.988
flat angles C4'-P-C4' energy: -100.783
flat angles P-C4'-P energy: -72.611
tors. eta vs tors. theta energy: -96.156
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: 7
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -965.691028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.691028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.691028 (E_RNA)
where:
Base-Base interactions energy: -537.358
where: short stacking energy: -337.623
Base-Backbone interact. energy: 0.856
local terms energy: -429.189432
where:
bonds (distance) C4'-P energy: -98.630
bonds (distance) P-C4' energy: -91.823
flat angles C4'-P-C4' energy: -93.999
flat angles P-C4'-P energy: -59.666
tors. eta vs tors. theta energy: -85.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -833.773480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.773480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.773480 (E_RNA)
where:
Base-Base interactions energy: -459.494
where: short stacking energy: -279.936
Base-Backbone interact. energy: 1.142
local terms energy: -375.421120
where:
bonds (distance) C4'-P energy: -86.555
bonds (distance) P-C4' energy: -92.829
flat angles C4'-P-C4' energy: -80.728
flat angles P-C4'-P energy: -60.043
tors. eta vs tors. theta energy: -55.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -637.771030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.771030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.771030 (E_RNA)
where:
Base-Base interactions energy: -302.866
where: short stacking energy: -211.368
Base-Backbone interact. energy: 2.165
local terms energy: -337.069720
where:
bonds (distance) C4'-P energy: -79.190
bonds (distance) P-C4' energy: -91.471
flat angles C4'-P-C4' energy: -78.314
flat angles P-C4'-P energy: -58.702
tors. eta vs tors. theta energy: -29.393
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: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -563.713937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.713937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.713937 (E_RNA)
where:
Base-Base interactions energy: -244.221
where: short stacking energy: -168.192
Base-Backbone interact. energy: -0.749
local terms energy: -318.743627
where:
bonds (distance) C4'-P energy: -97.531
bonds (distance) P-C4' energy: -79.675
flat angles C4'-P-C4' energy: -86.042
flat angles P-C4'-P energy: -40.357
tors. eta vs tors. theta energy: -15.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -433.181388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.181388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.181388 (E_RNA)
where:
Base-Base interactions energy: -137.906
where: short stacking energy: -127.170
Base-Backbone interact. energy: -2.480
local terms energy: -292.796195
where:
bonds (distance) C4'-P energy: -84.303
bonds (distance) P-C4' energy: -82.370
flat angles C4'-P-C4' energy: -71.425
flat angles P-C4'-P energy: -43.007
tors. eta vs tors. theta energy: -11.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -432.888815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.888815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.888815 (E_RNA)
where:
Base-Base interactions energy: -168.935
where: short stacking energy: -148.096
Base-Backbone interact. energy: -1.971
local terms energy: -261.982801
where:
bonds (distance) C4'-P energy: -78.588
bonds (distance) P-C4' energy: -81.467
flat angles C4'-P-C4' energy: -64.251
flat angles P-C4'-P energy: -38.977
tors. eta vs tors. theta energy: 1.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -378.265203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.265203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.265203 (E_RNA)
where:
Base-Base interactions energy: -136.381
where: short stacking energy: -114.085
Base-Backbone interact. energy: -0.267
local terms energy: -241.617185
where:
bonds (distance) C4'-P energy: -56.408
bonds (distance) P-C4' energy: -80.692
flat angles C4'-P-C4' energy: -79.915
flat angles P-C4'-P energy: -38.871
tors. eta vs tors. theta energy: 14.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -352.314012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.314012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.314012 (E_RNA)
where:
Base-Base interactions energy: -128.975
where: short stacking energy: -106.698
Base-Backbone interact. energy: 7.919
local terms energy: -231.257573
where:
bonds (distance) C4'-P energy: -62.962
bonds (distance) P-C4' energy: -71.579
flat angles C4'-P-C4' energy: -70.559
flat angles P-C4'-P energy: -30.501
tors. eta vs tors. theta energy: 4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1251.086918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.086918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.086918 (E_RNA)
where:
Base-Base interactions energy: -745.239
where: short stacking energy: -438.336
Base-Backbone interact. energy: -2.094
local terms energy: -503.754439
where:
bonds (distance) C4'-P energy: -100.712
bonds (distance) P-C4' energy: -96.984
flat angles C4'-P-C4' energy: -106.509
flat angles P-C4'-P energy: -71.229
tors. eta vs tors. theta energy: -128.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1033.459328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.459328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.459328 (E_RNA)
where:
Base-Base interactions energy: -602.494
where: short stacking energy: -314.671
Base-Backbone interact. energy: -1.008
local terms energy: -429.956960
where:
bonds (distance) C4'-P energy: -89.368
bonds (distance) P-C4' energy: -86.868
flat angles C4'-P-C4' energy: -97.420
flat angles P-C4'-P energy: -65.846
tors. eta vs tors. theta energy: -90.455
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: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -944.735853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.735853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.735853 (E_RNA)
where:
Base-Base interactions energy: -509.072
where: short stacking energy: -315.203
Base-Backbone interact. energy: -1.474
local terms energy: -434.189372
where:
bonds (distance) C4'-P energy: -90.100
bonds (distance) P-C4' energy: -93.774
flat angles C4'-P-C4' energy: -97.550
flat angles P-C4'-P energy: -69.575
tors. eta vs tors. theta energy: -83.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -835.145649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.145649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.145649 (E_RNA)
where:
Base-Base interactions energy: -454.038
where: short stacking energy: -257.325
Base-Backbone interact. energy: -3.664
local terms energy: -377.443932
where:
bonds (distance) C4'-P energy: -83.748
bonds (distance) P-C4' energy: -90.817
flat angles C4'-P-C4' energy: -89.851
flat angles P-C4'-P energy: -60.167
tors. eta vs tors. theta energy: -52.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -599.128797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.128797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.128797 (E_RNA)
where:
Base-Base interactions energy: -278.609
where: short stacking energy: -206.184
Base-Backbone interact. energy: -0.562
local terms energy: -319.958348
where:
bonds (distance) C4'-P energy: -76.631
bonds (distance) P-C4' energy: -88.558
flat angles C4'-P-C4' energy: -71.644
flat angles P-C4'-P energy: -47.765
tors. eta vs tors. theta energy: -35.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -543.233774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.233774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.233774 (E_RNA)
where:
Base-Base interactions energy: -228.139
where: short stacking energy: -172.618
Base-Backbone interact. energy: 1.138
local terms energy: -316.233222
where:
bonds (distance) C4'-P energy: -85.219
bonds (distance) P-C4' energy: -100.548
flat angles C4'-P-C4' energy: -60.592
flat angles P-C4'-P energy: -45.736
tors. eta vs tors. theta energy: -24.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -466.747408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.747408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.747408 (E_RNA)
where:
Base-Base interactions energy: -187.142
where: short stacking energy: -159.892
Base-Backbone interact. energy: -0.123
local terms energy: -279.482656
where:
bonds (distance) C4'-P energy: -80.808
bonds (distance) P-C4' energy: -89.355
flat angles C4'-P-C4' energy: -72.374
flat angles P-C4'-P energy: -30.623
tors. eta vs tors. theta energy: -6.323
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: 5
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -416.764390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.764390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.764390 (E_RNA)
where:
Base-Base interactions energy: -153.838
where: short stacking energy: -141.068
Base-Backbone interact. energy: 0.546
local terms energy: -263.473080
where:
bonds (distance) C4'-P energy: -70.479
bonds (distance) P-C4' energy: -73.278
flat angles C4'-P-C4' energy: -76.401
flat angles P-C4'-P energy: -34.169
tors. eta vs tors. theta energy: -9.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -372.983302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.983302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.983302 (E_RNA)
where:
Base-Base interactions energy: -114.405
where: short stacking energy: -110.752
Base-Backbone interact. energy: -0.985
local terms energy: -257.592707
where:
bonds (distance) C4'-P energy: -79.189
bonds (distance) P-C4' energy: -83.393
flat angles C4'-P-C4' energy: -60.688
flat angles P-C4'-P energy: -37.854
tors. eta vs tors. theta energy: 3.532
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: 1
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -348.872951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.872951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.872951 (E_RNA)
where:
Base-Base interactions energy: -112.295
where: short stacking energy: -101.849
Base-Backbone interact. energy: -0.799
local terms energy: -235.779039
where:
bonds (distance) C4'-P energy: -69.582
bonds (distance) P-C4' energy: -78.340
flat angles C4'-P-C4' energy: -63.006
flat angles P-C4'-P energy: -51.328
tors. eta vs tors. theta energy: 26.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1268.872902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.872902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.872902 (E_RNA)
where:
Base-Base interactions energy: -773.373
where: short stacking energy: -449.116
Base-Backbone interact. energy: -0.457
local terms energy: -495.043286
where:
bonds (distance) C4'-P energy: -89.972
bonds (distance) P-C4' energy: -98.102
flat angles C4'-P-C4' energy: -99.999
flat angles P-C4'-P energy: -67.774
tors. eta vs tors. theta energy: -139.196
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: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1057.935700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.935700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.935700 (E_RNA)
where:
Base-Base interactions energy: -620.415
where: short stacking energy: -356.952
Base-Backbone interact. energy: -1.188
local terms energy: -436.332300
where:
bonds (distance) C4'-P energy: -99.427
bonds (distance) P-C4' energy: -97.980
flat angles C4'-P-C4' energy: -84.199
flat angles P-C4'-P energy: -53.325
tors. eta vs tors. theta energy: -101.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -894.316147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.316147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.316147 (E_RNA)
where:
Base-Base interactions energy: -485.831
where: short stacking energy: -292.827
Base-Backbone interact. energy: -0.041
local terms energy: -408.444863
where:
bonds (distance) C4'-P energy: -90.650
bonds (distance) P-C4' energy: -90.605
flat angles C4'-P-C4' energy: -85.519
flat angles P-C4'-P energy: -63.631
tors. eta vs tors. theta energy: -78.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -897.024685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.024685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.024685 (E_RNA)
where:
Base-Base interactions energy: -485.865
where: short stacking energy: -318.704
Base-Backbone interact. energy: -0.703
local terms energy: -410.456300
where:
bonds (distance) C4'-P energy: -87.123
bonds (distance) P-C4' energy: -93.647
flat angles C4'-P-C4' energy: -89.435
flat angles P-C4'-P energy: -61.618
tors. eta vs tors. theta energy: -78.633
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: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -587.914384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.914384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.914384 (E_RNA)
where:
Base-Base interactions energy: -262.659
where: short stacking energy: -219.322
Base-Backbone interact. energy: -1.260
local terms energy: -323.995185
where:
bonds (distance) C4'-P energy: -89.221
bonds (distance) P-C4' energy: -67.846
flat angles C4'-P-C4' energy: -85.955
flat angles P-C4'-P energy: -53.313
tors. eta vs tors. theta energy: -27.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -563.250291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.250291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.250291 (E_RNA)
where:
Base-Base interactions energy: -228.997
where: short stacking energy: -188.811
Base-Backbone interact. energy: 1.580
local terms energy: -335.833539
where:
bonds (distance) C4'-P energy: -84.245
bonds (distance) P-C4' energy: -84.330
flat angles C4'-P-C4' energy: -74.521
flat angles P-C4'-P energy: -57.564
tors. eta vs tors. theta energy: -35.173
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: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -480.721995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.721995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.721995 (E_RNA)
where:
Base-Base interactions energy: -202.386
where: short stacking energy: -159.858
Base-Backbone interact. energy: 0.889
local terms energy: -279.224851
where:
bonds (distance) C4'-P energy: -65.774
bonds (distance) P-C4' energy: -80.177
flat angles C4'-P-C4' energy: -66.612
flat angles P-C4'-P energy: -48.196
tors. eta vs tors. theta energy: -18.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -463.496262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.496262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.496262 (E_RNA)
where:
Base-Base interactions energy: -183.222
where: short stacking energy: -150.445
Base-Backbone interact. energy: 2.658
local terms energy: -282.932635
where:
bonds (distance) C4'-P energy: -83.780
bonds (distance) P-C4' energy: -66.418
flat angles C4'-P-C4' energy: -81.519
flat angles P-C4'-P energy: -42.970
tors. eta vs tors. theta energy: -8.245
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: 165
Temperature: 1.300000
Total energy: -386.536796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.536796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.536796 (E_RNA)
where:
Base-Base interactions energy: -134.507
where: short stacking energy: -117.811
Base-Backbone interact. energy: -1.655
local terms energy: -250.374563
where:
bonds (distance) C4'-P energy: -65.099
bonds (distance) P-C4' energy: -66.241
flat angles C4'-P-C4' energy: -67.676
flat angles P-C4'-P energy: -60.387
tors. eta vs tors. theta energy: 9.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -352.815472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.815472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.815472 (E_RNA)
where:
Base-Base interactions energy: -122.455
where: short stacking energy: -102.696
Base-Backbone interact. energy: -0.582
local terms energy: -229.778359
where:
bonds (distance) C4'-P energy: -73.701
bonds (distance) P-C4' energy: -55.669
flat angles C4'-P-C4' energy: -61.792
flat angles P-C4'-P energy: -39.223
tors. eta vs tors. theta energy: 0.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1239.455842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.455842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.455842 (E_RNA)
where:
Base-Base interactions energy: -747.416
where: short stacking energy: -428.967
Base-Backbone interact. energy: -0.297
local terms energy: -491.742174
where:
bonds (distance) C4'-P energy: -91.601
bonds (distance) P-C4' energy: -93.633
flat angles C4'-P-C4' energy: -102.174
flat angles P-C4'-P energy: -71.077
tors. eta vs tors. theta energy: -133.257
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: 2, replica: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1087.759758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.759758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.759758 (E_RNA)
where:
Base-Base interactions energy: -654.014
where: short stacking energy: -358.681
Base-Backbone interact. energy: -1.089
local terms energy: -432.656860
where:
bonds (distance) C4'-P energy: -80.055
bonds (distance) P-C4' energy: -102.008
flat angles C4'-P-C4' energy: -89.115
flat angles P-C4'-P energy: -66.404
tors. eta vs tors. theta energy: -95.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -916.547518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.547518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.547518 (E_RNA)
where:
Base-Base interactions energy: -514.167
where: short stacking energy: -317.392
Base-Backbone interact. energy: -0.419
local terms energy: -401.961814
where:
bonds (distance) C4'-P energy: -84.486
bonds (distance) P-C4' energy: -77.140
flat angles C4'-P-C4' energy: -99.884
flat angles P-C4'-P energy: -60.128
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: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -878.413133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.413133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.413133 (E_RNA)
where:
Base-Base interactions energy: -485.568
where: short stacking energy: -302.205
Base-Backbone interact. energy: -1.378
local terms energy: -391.466940
where:
bonds (distance) C4'-P energy: -79.941
bonds (distance) P-C4' energy: -88.367
flat angles C4'-P-C4' energy: -84.836
flat angles P-C4'-P energy: -58.996
tors. eta vs tors. theta energy: -79.326
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: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -601.803788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.803788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.803788 (E_RNA)
where:
Base-Base interactions energy: -249.570
where: short stacking energy: -188.179
Base-Backbone interact. energy: 0.590
local terms energy: -352.823178
where:
bonds (distance) C4'-P energy: -91.668
bonds (distance) P-C4' energy: -96.090
flat angles C4'-P-C4' energy: -76.032
flat angles P-C4'-P energy: -47.222
tors. eta vs tors. theta energy: -41.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -576.233060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.233060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.233060 (E_RNA)
where:
Base-Base interactions energy: -235.501
where: short stacking energy: -189.647
Base-Backbone interact. energy: 4.241
local terms energy: -344.973760
where:
bonds (distance) C4'-P energy: -85.970
bonds (distance) P-C4' energy: -94.201
flat angles C4'-P-C4' energy: -90.664
flat angles P-C4'-P energy: -42.211
tors. eta vs tors. theta energy: -31.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -470.911891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.911891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.911891 (E_RNA)
where:
Base-Base interactions energy: -177.930
where: short stacking energy: -155.195
Base-Backbone interact. energy: -2.600
local terms energy: -290.381724
where:
bonds (distance) C4'-P energy: -83.888
bonds (distance) P-C4' energy: -77.759
flat angles C4'-P-C4' energy: -77.134
flat angles P-C4'-P energy: -44.971
tors. eta vs tors. theta energy: -6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -429.581783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.581783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.581783 (E_RNA)
where:
Base-Base interactions energy: -138.655
where: short stacking energy: -120.840
Base-Backbone interact. energy: 1.658
local terms energy: -292.584574
where:
bonds (distance) C4'-P energy: -82.436
bonds (distance) P-C4' energy: -90.367
flat angles C4'-P-C4' energy: -73.409
flat angles P-C4'-P energy: -38.881
tors. eta vs tors. theta energy: -7.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -391.993462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.993462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.993462 (E_RNA)
where:
Base-Base interactions energy: -154.886
where: short stacking energy: -109.222
Base-Backbone interact. energy: -1.580
local terms energy: -235.527678
where:
bonds (distance) C4'-P energy: -70.327
bonds (distance) P-C4' energy: -76.496
flat angles C4'-P-C4' energy: -62.680
flat angles P-C4'-P energy: -45.026
tors. eta vs tors. theta energy: 19.002
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: 5
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -345.354037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.354037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.354037 (E_RNA)
where:
Base-Base interactions energy: -86.582
where: short stacking energy: -65.489
Base-Backbone interact. energy: -0.913
local terms energy: -257.858393
where:
bonds (distance) C4'-P energy: -73.509
bonds (distance) P-C4' energy: -96.700
flat angles C4'-P-C4' energy: -66.193
flat angles P-C4'-P energy: -41.230
tors. eta vs tors. theta energy: 19.775
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: 6
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1250.435452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.435452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.435452 (E_RNA)
where:
Base-Base interactions energy: -766.173
where: short stacking energy: -442.077
Base-Backbone interact. energy: -2.688
local terms energy: -481.574026
where:
bonds (distance) C4'-P energy: -93.338
bonds (distance) P-C4' energy: -91.790
flat angles C4'-P-C4' energy: -103.870
flat angles P-C4'-P energy: -62.474
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: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1060.016870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.016870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.016870 (E_RNA)
where:
Base-Base interactions energy: -633.125
where: short stacking energy: -363.763
Base-Backbone interact. energy: -1.288
local terms energy: -425.603061
where:
bonds (distance) C4'-P energy: -85.133
bonds (distance) P-C4' energy: -91.376
flat angles C4'-P-C4' energy: -99.313
flat angles P-C4'-P energy: -49.148
tors. eta vs tors. theta energy: -100.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -941.014538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.014538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.014538 (E_RNA)
where:
Base-Base interactions energy: -529.489
where: short stacking energy: -324.298
Base-Backbone interact. energy: -1.046
local terms energy: -410.479253
where:
bonds (distance) C4'-P energy: -76.706
bonds (distance) P-C4' energy: -92.541
flat angles C4'-P-C4' energy: -106.083
flat angles P-C4'-P energy: -59.850
tors. eta vs tors. theta energy: -75.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -827.353082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.353082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.353082 (E_RNA)
where:
Base-Base interactions energy: -420.976
where: short stacking energy: -269.765
Base-Backbone interact. energy: -0.805
local terms energy: -405.572281
where:
bonds (distance) C4'-P energy: -90.822
bonds (distance) P-C4' energy: -87.815
flat angles C4'-P-C4' energy: -92.967
flat angles P-C4'-P energy: -66.037
tors. eta vs tors. theta energy: -67.931
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: 167
Temperature: 1.100000
Total energy: -633.801084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.801084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.801084 (E_RNA)
where:
Base-Base interactions energy: -267.687
where: short stacking energy: -219.573
Base-Backbone interact. energy: -0.734
local terms energy: -365.380078
where:
bonds (distance) C4'-P energy: -81.146
bonds (distance) P-C4' energy: -94.190
flat angles C4'-P-C4' energy: -90.231
flat angles P-C4'-P energy: -52.430
tors. eta vs tors. theta energy: -47.383
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: 6, replica: 9
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -553.333932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.333932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.333932 (E_RNA)
where:
Base-Base interactions energy: -239.775
where: short stacking energy: -175.555
Base-Backbone interact. energy: -3.603
local terms energy: -309.956448
where:
bonds (distance) C4'-P energy: -84.664
bonds (distance) P-C4' energy: -84.483
flat angles C4'-P-C4' energy: -73.281
flat angles P-C4'-P energy: -45.494
tors. eta vs tors. theta energy: -22.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -451.101278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.101278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.101278 (E_RNA)
where:
Base-Base interactions energy: -160.434
where: short stacking energy: -138.141
Base-Backbone interact. energy: -0.319
local terms energy: -290.348791
where:
bonds (distance) C4'-P energy: -86.911
bonds (distance) P-C4' energy: -88.601
flat angles C4'-P-C4' energy: -64.931
flat angles P-C4'-P energy: -45.978
tors. eta vs tors. theta energy: -3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -434.483684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.483684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.483684 (E_RNA)
where:
Base-Base interactions energy: -152.503
where: short stacking energy: -125.894
Base-Backbone interact. energy: -0.396
local terms energy: -281.584770
where:
bonds (distance) C4'-P energy: -81.932
bonds (distance) P-C4' energy: -88.266
flat angles C4'-P-C4' energy: -70.645
flat angles P-C4'-P energy: -33.606
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: 9, replica: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -368.580386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.580386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.580386 (E_RNA)
where:
Base-Base interactions energy: -106.951
where: short stacking energy: -96.340
Base-Backbone interact. energy: -1.264
local terms energy: -260.365726
where:
bonds (distance) C4'-P energy: -77.997
bonds (distance) P-C4' energy: -80.353
flat angles C4'-P-C4' energy: -78.844
flat angles P-C4'-P energy: -37.038
tors. eta vs tors. theta energy: 13.866
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: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -351.716826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.716826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.716826 (E_RNA)
where:
Base-Base interactions energy: -106.316
where: short stacking energy: -100.505
Base-Backbone interact. energy: -0.875
local terms energy: -244.525452
where:
bonds (distance) C4'-P energy: -75.316
bonds (distance) P-C4' energy: -85.056
flat angles C4'-P-C4' energy: -57.277
flat angles P-C4'-P energy: -44.003
tors. eta vs tors. theta energy: 17.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1249.924377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.924377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.924377 (E_RNA)
where:
Base-Base interactions energy: -752.992
where: short stacking energy: -465.373
Base-Backbone interact. energy: -0.628
local terms energy: -496.304995
where:
bonds (distance) C4'-P energy: -91.328
bonds (distance) P-C4' energy: -94.735
flat angles C4'-P-C4' energy: -100.316
flat angles P-C4'-P energy: -68.515
tors. eta vs tors. theta energy: -141.411
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: 168
Temperature: 0.950000
Total energy: -1084.019621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.019621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.019621 (E_RNA)
where:
Base-Base interactions energy: -659.299
where: short stacking energy: -339.929
Base-Backbone interact. energy: -1.403
local terms energy: -423.317178
where:
bonds (distance) C4'-P energy: -87.742
bonds (distance) P-C4' energy: -94.363
flat angles C4'-P-C4' energy: -95.531
flat angles P-C4'-P energy: -48.595
tors. eta vs tors. theta energy: -97.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -931.200835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.200835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.200835 (E_RNA)
where:
Base-Base interactions energy: -502.535
where: short stacking energy: -295.121
Base-Backbone interact. energy: 0.792
local terms energy: -429.458317
where:
bonds (distance) C4'-P energy: -96.335
bonds (distance) P-C4' energy: -88.544
flat angles C4'-P-C4' energy: -94.603
flat angles P-C4'-P energy: -69.168
tors. eta vs tors. theta energy: -80.808
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: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -839.837490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.837490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.837490 (E_RNA)
where:
Base-Base interactions energy: -448.189
where: short stacking energy: -281.011
Base-Backbone interact. energy: 1.667
local terms energy: -393.315682
where:
bonds (distance) C4'-P energy: -80.719
bonds (distance) P-C4' energy: -101.243
flat angles C4'-P-C4' energy: -93.081
flat angles P-C4'-P energy: -59.947
tors. eta vs tors. theta energy: -58.327
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: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -613.393597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.393597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.393597 (E_RNA)
where:
Base-Base interactions energy: -283.187
where: short stacking energy: -214.246
Base-Backbone interact. energy: -0.112
local terms energy: -330.094931
where:
bonds (distance) C4'-P energy: -86.440
bonds (distance) P-C4' energy: -93.733
flat angles C4'-P-C4' energy: -77.919
flat angles P-C4'-P energy: -42.834
tors. eta vs tors. theta energy: -29.169
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: 9
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -568.660701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.660701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.660701 (E_RNA)
where:
Base-Base interactions energy: -271.411
where: short stacking energy: -181.321
Base-Backbone interact. energy: 0.809
local terms energy: -298.059431
where:
bonds (distance) C4'-P energy: -73.009
bonds (distance) P-C4' energy: -67.664
flat angles C4'-P-C4' energy: -89.117
flat angles P-C4'-P energy: -53.479
tors. eta vs tors. theta energy: -14.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -476.704201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.704201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.704201 (E_RNA)
where:
Base-Base interactions energy: -178.986
where: short stacking energy: -141.074
Base-Backbone interact. energy: -1.867
local terms energy: -295.851277
where:
bonds (distance) C4'-P energy: -73.436
bonds (distance) P-C4' energy: -85.683
flat angles C4'-P-C4' energy: -73.913
flat angles P-C4'-P energy: -50.298
tors. eta vs tors. theta energy: -12.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -435.929276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.929276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.929276 (E_RNA)
where:
Base-Base interactions energy: -156.237
where: short stacking energy: -131.817
Base-Backbone interact. energy: -0.887
local terms energy: -278.805793
where:
bonds (distance) C4'-P energy: -71.076
bonds (distance) P-C4' energy: -85.535
flat angles C4'-P-C4' energy: -79.320
flat angles P-C4'-P energy: -42.430
tors. eta vs tors. theta energy: -0.445
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: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -374.534460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.534460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.534460 (E_RNA)
where:
Base-Base interactions energy: -129.123
where: short stacking energy: -106.697
Base-Backbone interact. energy: -0.930
local terms energy: -244.481796
where:
bonds (distance) C4'-P energy: -75.165
bonds (distance) P-C4' energy: -71.022
flat angles C4'-P-C4' energy: -68.041
flat angles P-C4'-P energy: -39.331
tors. eta vs tors. theta energy: 9.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -351.592291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.592291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.592291 (E_RNA)
where:
Base-Base interactions energy: -100.684
where: short stacking energy: -97.290
Base-Backbone interact. energy: 1.822
local terms energy: -252.730989
where:
bonds (distance) C4'-P energy: -71.914
bonds (distance) P-C4' energy: -80.269
flat angles C4'-P-C4' energy: -74.296
flat angles P-C4'-P energy: -35.841
tors. eta vs tors. theta energy: 9.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1224.769372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.769372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.769372 (E_RNA)
where:
Base-Base interactions energy: -719.736
where: short stacking energy: -435.402
Base-Backbone interact. energy: -1.263
local terms energy: -503.769722
where:
bonds (distance) C4'-P energy: -93.712
bonds (distance) P-C4' energy: -91.902
flat angles C4'-P-C4' energy: -104.889
flat angles P-C4'-P energy: -79.591
tors. eta vs tors. theta energy: -133.676
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: 169
Temperature: 0.950000
Total energy: -1093.818220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.818220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.818220 (E_RNA)
where:
Base-Base interactions energy: -642.724
where: short stacking energy: -335.727
Base-Backbone interact. energy: -2.708
local terms energy: -448.386271
where:
bonds (distance) C4'-P energy: -94.792
bonds (distance) P-C4' energy: -95.094
flat angles C4'-P-C4' energy: -105.447
flat angles P-C4'-P energy: -52.791
tors. eta vs tors. theta energy: -100.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -890.280728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.280728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.280728 (E_RNA)
where:
Base-Base interactions energy: -489.360
where: short stacking energy: -305.897
Base-Backbone interact. energy: 3.919
local terms energy: -404.839275
where:
bonds (distance) C4'-P energy: -70.615
bonds (distance) P-C4' energy: -85.815
flat angles C4'-P-C4' energy: -101.164
flat angles P-C4'-P energy: -59.097
tors. eta vs tors. theta energy: -88.149
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: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -863.358317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.358317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.358317 (E_RNA)
where:
Base-Base interactions energy: -461.258
where: short stacking energy: -301.469
Base-Backbone interact. energy: 3.576
local terms energy: -405.676484
where:
bonds (distance) C4'-P energy: -84.661
bonds (distance) P-C4' energy: -96.792
flat angles C4'-P-C4' energy: -85.584
flat angles P-C4'-P energy: -56.419
tors. eta vs tors. theta energy: -82.221
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: 169
Temperature: 1.100000
Total energy: -677.949649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.949649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.949649 (E_RNA)
where:
Base-Base interactions energy: -302.305
where: short stacking energy: -241.467
Base-Backbone interact. energy: -0.595
local terms energy: -375.049970
where:
bonds (distance) C4'-P energy: -92.972
bonds (distance) P-C4' energy: -90.870
flat angles C4'-P-C4' energy: -90.954
flat angles P-C4'-P energy: -42.760
tors. eta vs tors. theta energy: -57.495
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: 1
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -523.271508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.271508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.271508 (E_RNA)
where:
Base-Base interactions energy: -212.628
where: short stacking energy: -171.215
Base-Backbone interact. energy: 0.682
local terms energy: -311.325923
where:
bonds (distance) C4'-P energy: -80.079
bonds (distance) P-C4' energy: -82.724
flat angles C4'-P-C4' energy: -83.919
flat angles P-C4'-P energy: -50.556
tors. eta vs tors. theta energy: -14.047
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: 169
Temperature: 1.200000
Total energy: -502.081809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.081809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.081809 (E_RNA)
where:
Base-Base interactions energy: -217.363
where: short stacking energy: -144.606
Base-Backbone interact. energy: -2.471
local terms energy: -282.247467
where:
bonds (distance) C4'-P energy: -86.173
bonds (distance) P-C4' energy: -81.342
flat angles C4'-P-C4' energy: -73.432
flat angles P-C4'-P energy: -28.415
tors. eta vs tors. theta energy: -12.885
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: 10
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -447.235114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.235114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.235114 (E_RNA)
where:
Base-Base interactions energy: -166.449
where: short stacking energy: -115.558
Base-Backbone interact. energy: 3.331
local terms energy: -284.117086
where:
bonds (distance) C4'-P energy: -81.272
bonds (distance) P-C4' energy: -83.604
flat angles C4'-P-C4' energy: -78.146
flat angles P-C4'-P energy: -47.179
tors. eta vs tors. theta energy: 6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -407.039725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.039725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.039725 (E_RNA)
where:
Base-Base interactions energy: -136.399
where: short stacking energy: -116.782
Base-Backbone interact. energy: -1.157
local terms energy: -269.484227
where:
bonds (distance) C4'-P energy: -81.547
bonds (distance) P-C4' energy: -71.070
flat angles C4'-P-C4' energy: -79.397
flat angles P-C4'-P energy: -45.199
tors. eta vs tors. theta energy: 7.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -341.907911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.907911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.907911 (E_RNA)
where:
Base-Base interactions energy: -114.291
where: short stacking energy: -108.834
Base-Backbone interact. energy: 2.051
local terms energy: -229.668545
where:
bonds (distance) C4'-P energy: -62.898
bonds (distance) P-C4' energy: -80.494
flat angles C4'-P-C4' energy: -60.356
flat angles P-C4'-P energy: -37.509
tors. eta vs tors. theta energy: 11.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1259.069527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.069527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.069527 (E_RNA)
where:
Base-Base interactions energy: -778.302
where: short stacking energy: -474.251
Base-Backbone interact. energy: 1.584
local terms energy: -482.350634
where:
bonds (distance) C4'-P energy: -84.366
bonds (distance) P-C4' energy: -88.583
flat angles C4'-P-C4' energy: -105.293
flat angles P-C4'-P energy: -58.784
tors. eta vs tors. theta energy: -145.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1048.132423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.132423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.132423 (E_RNA)
where:
Base-Base interactions energy: -609.090
where: short stacking energy: -353.214
Base-Backbone interact. energy: -0.512
local terms energy: -438.530395
where:
bonds (distance) C4'-P energy: -82.376
bonds (distance) P-C4' energy: -95.400
flat angles C4'-P-C4' energy: -88.679
flat angles P-C4'-P energy: -76.376
tors. eta vs tors. theta energy: -95.699
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: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -897.964461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.964461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.964461 (E_RNA)
where:
Base-Base interactions energy: -512.914
where: short stacking energy: -317.171
Base-Backbone interact. energy: -0.258
local terms energy: -384.792169
where:
bonds (distance) C4'-P energy: -86.274
bonds (distance) P-C4' energy: -77.943
flat angles C4'-P-C4' energy: -92.312
flat angles P-C4'-P energy: -42.106
tors. eta vs tors. theta energy: -86.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -880.166661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.166661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.166661 (E_RNA)
where:
Base-Base interactions energy: -466.090
where: short stacking energy: -298.515
Base-Backbone interact. energy: 2.378
local terms energy: -416.454239
where:
bonds (distance) C4'-P energy: -90.296
bonds (distance) P-C4' energy: -91.608
flat angles C4'-P-C4' energy: -98.980
flat angles P-C4'-P energy: -60.052
tors. eta vs tors. theta energy: -75.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -640.791113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.791113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.791113 (E_RNA)
where:
Base-Base interactions energy: -293.087
where: short stacking energy: -223.829
Base-Backbone interact. energy: 0.507
local terms energy: -348.211068
where:
bonds (distance) C4'-P energy: -83.259
bonds (distance) P-C4' energy: -90.311
flat angles C4'-P-C4' energy: -85.414
flat angles P-C4'-P energy: -56.212
tors. eta vs tors. theta energy: -33.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -536.406904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.406904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.406904 (E_RNA)
where:
Base-Base interactions energy: -231.681
where: short stacking energy: -171.172
Base-Backbone interact. energy: -2.183
local terms energy: -302.542373
where:
bonds (distance) C4'-P energy: -87.574
bonds (distance) P-C4' energy: -87.109
flat angles C4'-P-C4' energy: -70.506
flat angles P-C4'-P energy: -52.395
tors. eta vs tors. theta energy: -4.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -513.292878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.292878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.292878 (E_RNA)
where:
Base-Base interactions energy: -217.810
where: short stacking energy: -165.390
Base-Backbone interact. energy: 8.477
local terms energy: -303.959987
where:
bonds (distance) C4'-P energy: -83.615
bonds (distance) P-C4' energy: -90.678
flat angles C4'-P-C4' energy: -77.841
flat angles P-C4'-P energy: -42.906
tors. eta vs tors. theta energy: -8.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -417.089261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.089261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.089261 (E_RNA)
where:
Base-Base interactions energy: -159.068
where: short stacking energy: -126.745
Base-Backbone interact. energy: -1.376
local terms energy: -256.644562
where:
bonds (distance) C4'-P energy: -65.543
bonds (distance) P-C4' energy: -85.314
flat angles C4'-P-C4' energy: -71.735
flat angles P-C4'-P energy: -50.656
tors. eta vs tors. theta energy: 16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -414.303622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.303622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.303622 (E_RNA)
where:
Base-Base interactions energy: -125.436
where: short stacking energy: -113.394
Base-Backbone interact. energy: -0.004
local terms energy: -288.863587
where:
bonds (distance) C4'-P energy: -80.164
bonds (distance) P-C4' energy: -81.679
flat angles C4'-P-C4' energy: -83.552
flat angles P-C4'-P energy: -39.766
tors. eta vs tors. theta energy: -3.703
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: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -348.543848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.543848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.543848 (E_RNA)
where:
Base-Base interactions energy: -88.293
where: short stacking energy: -81.657
Base-Backbone interact. energy: 2.279
local terms energy: -262.530102
where:
bonds (distance) C4'-P energy: -78.848
bonds (distance) P-C4' energy: -76.287
flat angles C4'-P-C4' energy: -77.471
flat angles P-C4'-P energy: -52.329
tors. eta vs tors. theta energy: 22.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1223.707580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.707580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.707580 (E_RNA)
where:
Base-Base interactions energy: -710.405
where: short stacking energy: -423.418
Base-Backbone interact. energy: -0.844
local terms energy: -512.458127
where:
bonds (distance) C4'-P energy: -97.636
bonds (distance) P-C4' energy: -103.909
flat angles C4'-P-C4' energy: -96.813
flat angles P-C4'-P energy: -83.612
tors. eta vs tors. theta energy: -130.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1089.851648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.851648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.851648 (E_RNA)
where:
Base-Base interactions energy: -636.337
where: short stacking energy: -365.526
Base-Backbone interact. energy: -3.440
local terms energy: -450.074481
where:
bonds (distance) C4'-P energy: -100.745
bonds (distance) P-C4' energy: -87.640
flat angles C4'-P-C4' energy: -95.618
flat angles P-C4'-P energy: -64.385
tors. eta vs tors. theta energy: -101.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -890.859043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.859043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.859043 (E_RNA)
where:
Base-Base interactions energy: -490.374
where: short stacking energy: -292.116
Base-Backbone interact. energy: -1.593
local terms energy: -398.891176
where:
bonds (distance) C4'-P energy: -81.500
bonds (distance) P-C4' energy: -96.521
flat angles C4'-P-C4' energy: -94.987
flat angles P-C4'-P energy: -55.442
tors. eta vs tors. theta energy: -70.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -850.382404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.382404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.382404 (E_RNA)
where:
Base-Base interactions energy: -431.518
where: short stacking energy: -285.314
Base-Backbone interact. energy: -0.794
local terms energy: -418.070388
where:
bonds (distance) C4'-P energy: -89.774
bonds (distance) P-C4' energy: -99.404
flat angles C4'-P-C4' energy: -88.302
flat angles P-C4'-P energy: -66.165
tors. eta vs tors. theta energy: -74.425
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: 171
Temperature: 1.100000
Total energy: -647.715894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.715894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.715894 (E_RNA)
where:
Base-Base interactions energy: -277.636
where: short stacking energy: -217.029
Base-Backbone interact. energy: 1.106
local terms energy: -371.186048
where:
bonds (distance) C4'-P energy: -84.616
bonds (distance) P-C4' energy: -96.444
flat angles C4'-P-C4' energy: -77.619
flat angles P-C4'-P energy: -59.535
tors. eta vs tors. theta energy: -52.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -582.437683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.437683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.437683 (E_RNA)
where:
Base-Base interactions energy: -253.159
where: short stacking energy: -185.353
Base-Backbone interact. energy: -0.557
local terms energy: -328.721082
where:
bonds (distance) C4'-P energy: -80.012
bonds (distance) P-C4' energy: -76.035
flat angles C4'-P-C4' energy: -84.295
flat angles P-C4'-P energy: -53.114
tors. eta vs tors. theta energy: -35.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -568.981900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.981900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.981900 (E_RNA)
where:
Base-Base interactions energy: -258.461
where: short stacking energy: -193.001
Base-Backbone interact. energy: 7.422
local terms energy: -317.942564
where:
bonds (distance) C4'-P energy: -69.268
bonds (distance) P-C4' energy: -89.589
flat angles C4'-P-C4' energy: -78.953
flat angles P-C4'-P energy: -48.236
tors. eta vs tors. theta energy: -31.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -417.180626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.180626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.180626 (E_RNA)
where:
Base-Base interactions energy: -142.944
where: short stacking energy: -129.908
Base-Backbone interact. energy: 4.453
local terms energy: -278.688931
where:
bonds (distance) C4'-P energy: -85.603
bonds (distance) P-C4' energy: -84.302
flat angles C4'-P-C4' energy: -75.744
flat angles P-C4'-P energy: -29.150
tors. eta vs tors. theta energy: -3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -391.040296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.040296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.040296 (E_RNA)
where:
Base-Base interactions energy: -136.273
where: short stacking energy: -115.570
Base-Backbone interact. energy: -0.710
local terms energy: -254.057340
where:
bonds (distance) C4'-P energy: -80.611
bonds (distance) P-C4' energy: -84.012
flat angles C4'-P-C4' energy: -62.379
flat angles P-C4'-P energy: -38.179
tors. eta vs tors. theta energy: 11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -340.456688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.456688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.456688 (E_RNA)
where:
Base-Base interactions energy: -102.563
where: short stacking energy: -83.962
Base-Backbone interact. energy: 2.669
local terms energy: -240.562598
where:
bonds (distance) C4'-P energy: -74.313
bonds (distance) P-C4' energy: -82.207
flat angles C4'-P-C4' energy: -63.044
flat angles P-C4'-P energy: -37.192
tors. eta vs tors. theta energy: 16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1216.702849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.702849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.702849 (E_RNA)
where:
Base-Base interactions energy: -718.926
where: short stacking energy: -433.951
Base-Backbone interact. energy: -0.816
local terms energy: -496.961053
where:
bonds (distance) C4'-P energy: -95.327
bonds (distance) P-C4' energy: -89.227
flat angles C4'-P-C4' energy: -106.309
flat angles P-C4'-P energy: -74.411
tors. eta vs tors. theta energy: -131.686
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: 172
Temperature: 0.950000
Total energy: -1084.483404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.483404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.483404 (E_RNA)
where:
Base-Base interactions energy: -657.065
where: short stacking energy: -359.533
Base-Backbone interact. energy: 0.037
local terms energy: -427.455455
where:
bonds (distance) C4'-P energy: -80.606
bonds (distance) P-C4' energy: -93.001
flat angles C4'-P-C4' energy: -90.301
flat angles P-C4'-P energy: -67.297
tors. eta vs tors. theta energy: -96.250
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: 3, replica: 7
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -892.933817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.933817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.933817 (E_RNA)
where:
Base-Base interactions energy: -483.855
where: short stacking energy: -324.498
Base-Backbone interact. energy: 0.371
local terms energy: -409.449850
where:
bonds (distance) C4'-P energy: -75.945
bonds (distance) P-C4' energy: -88.705
flat angles C4'-P-C4' energy: -94.624
flat angles P-C4'-P energy: -59.186
tors. eta vs tors. theta energy: -90.990
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: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -857.473790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.473790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.473790 (E_RNA)
where:
Base-Base interactions energy: -476.070
where: short stacking energy: -293.218
Base-Backbone interact. energy: 0.532
local terms energy: -381.936503
where:
bonds (distance) C4'-P energy: -77.350
bonds (distance) P-C4' energy: -85.518
flat angles C4'-P-C4' energy: -91.164
flat angles P-C4'-P energy: -47.633
tors. eta vs tors. theta energy: -80.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -585.892018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.892018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.892018 (E_RNA)
where:
Base-Base interactions energy: -238.181
where: short stacking energy: -185.770
Base-Backbone interact. energy: -1.717
local terms energy: -345.994058
where:
bonds (distance) C4'-P energy: -76.801
bonds (distance) P-C4' energy: -85.491
flat angles C4'-P-C4' energy: -86.886
flat angles P-C4'-P energy: -64.709
tors. eta vs tors. theta energy: -32.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -534.644816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.644816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.644816 (E_RNA)
where:
Base-Base interactions energy: -214.803
where: short stacking energy: -168.219
Base-Backbone interact. energy: -1.935
local terms energy: -317.906685
where:
bonds (distance) C4'-P energy: -79.640
bonds (distance) P-C4' energy: -95.997
flat angles C4'-P-C4' energy: -84.107
flat angles P-C4'-P energy: -35.876
tors. eta vs tors. theta energy: -22.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -444.567587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.567587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.567587 (E_RNA)
where:
Base-Base interactions energy: -156.706
where: short stacking energy: -138.479
Base-Backbone interact. energy: -0.035
local terms energy: -287.826739
where:
bonds (distance) C4'-P energy: -88.468
bonds (distance) P-C4' energy: -84.257
flat angles C4'-P-C4' energy: -73.039
flat angles P-C4'-P energy: -38.976
tors. eta vs tors. theta energy: -3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -435.321568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.321568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.321568 (E_RNA)
where:
Base-Base interactions energy: -164.961
where: short stacking energy: -128.145
Base-Backbone interact. energy: 0.469
local terms energy: -270.830062
where:
bonds (distance) C4'-P energy: -71.511
bonds (distance) P-C4' energy: -95.302
flat angles C4'-P-C4' energy: -61.519
flat angles P-C4'-P energy: -47.706
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: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -388.241018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.241018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.241018 (E_RNA)
where:
Base-Base interactions energy: -149.105
where: short stacking energy: -137.401
Base-Backbone interact. energy: 0.658
local terms energy: -239.793764
where:
bonds (distance) C4'-P energy: -75.480
bonds (distance) P-C4' energy: -88.688
flat angles C4'-P-C4' energy: -51.128
flat angles P-C4'-P energy: -34.104
tors. eta vs tors. theta energy: 9.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -348.990035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.990035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.990035 (E_RNA)
where:
Base-Base interactions energy: -97.490
where: short stacking energy: -87.038
Base-Backbone interact. energy: -0.258
local terms energy: -251.242679
where:
bonds (distance) C4'-P energy: -73.477
bonds (distance) P-C4' energy: -83.774
flat angles C4'-P-C4' energy: -71.055
flat angles P-C4'-P energy: -38.511
tors. eta vs tors. theta energy: 15.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1225.134483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.134483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.134483 (E_RNA)
where:
Base-Base interactions energy: -733.653
where: short stacking energy: -437.199
Base-Backbone interact. energy: -0.673
local terms energy: -490.808034
where:
bonds (distance) C4'-P energy: -83.244
bonds (distance) P-C4' energy: -100.806
flat angles C4'-P-C4' energy: -103.066
flat angles P-C4'-P energy: -71.634
tors. eta vs tors. theta energy: -132.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1083.329282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.329282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.329282 (E_RNA)
where:
Base-Base interactions energy: -625.837
where: short stacking energy: -354.871
Base-Backbone interact. energy: -1.085
local terms energy: -456.407655
where:
bonds (distance) C4'-P energy: -92.528
bonds (distance) P-C4' energy: -85.403
flat angles C4'-P-C4' energy: -100.259
flat angles P-C4'-P energy: -66.978
tors. eta vs tors. theta energy: -111.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -917.948450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.948450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.948450 (E_RNA)
where:
Base-Base interactions energy: -501.034
where: short stacking energy: -316.709
Base-Backbone interact. energy: -1.216
local terms energy: -415.698526
where:
bonds (distance) C4'-P energy: -97.161
bonds (distance) P-C4' energy: -94.164
flat angles C4'-P-C4' energy: -96.980
flat angles P-C4'-P energy: -41.243
tors. eta vs tors. theta energy: -86.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -851.372389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.372389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.372389 (E_RNA)
where:
Base-Base interactions energy: -467.880
where: short stacking energy: -301.381
Base-Backbone interact. energy: -0.990
local terms energy: -382.502689
where:
bonds (distance) C4'-P energy: -81.289
bonds (distance) P-C4' energy: -81.177
flat angles C4'-P-C4' energy: -93.662
flat angles P-C4'-P energy: -60.160
tors. eta vs tors. theta energy: -66.215
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: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -662.429459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.429459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.429459 (E_RNA)
where:
Base-Base interactions energy: -299.315
where: short stacking energy: -218.863
Base-Backbone interact. energy: -0.015
local terms energy: -363.098983
where:
bonds (distance) C4'-P energy: -93.524
bonds (distance) P-C4' energy: -93.085
flat angles C4'-P-C4' energy: -89.439
flat angles P-C4'-P energy: -44.428
tors. eta vs tors. theta energy: -42.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -592.857354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.857354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.857354 (E_RNA)
where:
Base-Base interactions energy: -245.431
where: short stacking energy: -197.499
Base-Backbone interact. energy: -1.784
local terms energy: -345.642447
where:
bonds (distance) C4'-P energy: -76.853
bonds (distance) P-C4' energy: -96.022
flat angles C4'-P-C4' energy: -87.227
flat angles P-C4'-P energy: -40.634
tors. eta vs tors. theta energy: -44.906
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: 173
Temperature: 1.200000
Total energy: -450.538828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.538828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.538828 (E_RNA)
where:
Base-Base interactions energy: -151.841
where: short stacking energy: -134.531
Base-Backbone interact. energy: 4.947
local terms energy: -303.645194
where:
bonds (distance) C4'-P energy: -98.701
bonds (distance) P-C4' energy: -82.275
flat angles C4'-P-C4' energy: -92.320
flat angles P-C4'-P energy: -40.078
tors. eta vs tors. theta energy: 9.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -403.868676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.868676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.868676 (E_RNA)
where:
Base-Base interactions energy: -138.411
where: short stacking energy: -116.551
Base-Backbone interact. energy: 0.765
local terms energy: -266.222325
where:
bonds (distance) C4'-P energy: -71.618
bonds (distance) P-C4' energy: -93.072
flat angles C4'-P-C4' energy: -67.032
flat angles P-C4'-P energy: -40.584
tors. eta vs tors. theta energy: 6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -386.083088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.083088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.083088 (E_RNA)
where:
Base-Base interactions energy: -119.973
where: short stacking energy: -105.675
Base-Backbone interact. energy: 1.333
local terms energy: -267.443281
where:
bonds (distance) C4'-P energy: -68.840
bonds (distance) P-C4' energy: -88.048
flat angles C4'-P-C4' energy: -62.370
flat angles P-C4'-P energy: -54.588
tors. eta vs tors. theta energy: 6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -367.386569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.386569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.386569 (E_RNA)
where:
Base-Base interactions energy: -115.601
where: short stacking energy: -101.021
Base-Backbone interact. energy: 0.239
local terms energy: -252.024633
where:
bonds (distance) C4'-P energy: -67.169
bonds (distance) P-C4' energy: -85.452
flat angles C4'-P-C4' energy: -73.070
flat angles P-C4'-P energy: -42.186
tors. eta vs tors. theta energy: 15.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1221.161983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.161983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.161983 (E_RNA)
where:
Base-Base interactions energy: -740.896
where: short stacking energy: -439.151
Base-Backbone interact. energy: 2.431
local terms energy: -482.696859
where:
bonds (distance) C4'-P energy: -93.897
bonds (distance) P-C4' energy: -92.913
flat angles C4'-P-C4' energy: -96.291
flat angles P-C4'-P energy: -69.942
tors. eta vs tors. theta energy: -129.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1129.536256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.536256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.536256 (E_RNA)
where:
Base-Base interactions energy: -668.408
where: short stacking energy: -383.728
Base-Backbone interact. energy: -1.966
local terms energy: -459.161771
where:
bonds (distance) C4'-P energy: -90.920
bonds (distance) P-C4' energy: -92.526
flat angles C4'-P-C4' energy: -103.321
flat angles P-C4'-P energy: -64.656
tors. eta vs tors. theta energy: -107.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -894.557256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.557256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.557256 (E_RNA)
where:
Base-Base interactions energy: -487.032
where: short stacking energy: -321.238
Base-Backbone interact. energy: -1.354
local terms energy: -406.171301
where:
bonds (distance) C4'-P energy: -78.545
bonds (distance) P-C4' energy: -90.550
flat angles C4'-P-C4' energy: -92.583
flat angles P-C4'-P energy: -63.832
tors. eta vs tors. theta energy: -80.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -851.776193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.776193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.776193 (E_RNA)
where:
Base-Base interactions energy: -465.364
where: short stacking energy: -302.882
Base-Backbone interact. energy: 5.247
local terms energy: -391.659521
where:
bonds (distance) C4'-P energy: -83.038
bonds (distance) P-C4' energy: -81.475
flat angles C4'-P-C4' energy: -89.623
flat angles P-C4'-P energy: -62.178
tors. eta vs tors. theta energy: -75.345
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: 5, replica: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -651.761895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.761895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.761895 (E_RNA)
where:
Base-Base interactions energy: -277.444
where: short stacking energy: -214.740
Base-Backbone interact. energy: -1.017
local terms energy: -373.300734
where:
bonds (distance) C4'-P energy: -86.377
bonds (distance) P-C4' energy: -89.788
flat angles C4'-P-C4' energy: -88.842
flat angles P-C4'-P energy: -53.048
tors. eta vs tors. theta energy: -55.246
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: 6, replica: 9
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -574.251855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.251855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.251855 (E_RNA)
where:
Base-Base interactions energy: -237.615
where: short stacking energy: -155.074
Base-Backbone interact. energy: -2.391
local terms energy: -334.245508
where:
bonds (distance) C4'-P energy: -82.718
bonds (distance) P-C4' energy: -91.508
flat angles C4'-P-C4' energy: -90.958
flat angles P-C4'-P energy: -49.888
tors. eta vs tors. theta energy: -19.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -492.377074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.377074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.377074 (E_RNA)
where:
Base-Base interactions energy: -190.226
where: short stacking energy: -143.842
Base-Backbone interact. energy: -0.117
local terms energy: -302.033984
where:
bonds (distance) C4'-P energy: -78.968
bonds (distance) P-C4' energy: -83.697
flat angles C4'-P-C4' energy: -78.064
flat angles P-C4'-P energy: -53.311
tors. eta vs tors. theta energy: -7.995
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: 1
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -430.227097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.227097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.227097 (E_RNA)
where:
Base-Base interactions energy: -155.525
where: short stacking energy: -131.062
Base-Backbone interact. energy: 1.652
local terms energy: -276.354324
where:
bonds (distance) C4'-P energy: -83.506
bonds (distance) P-C4' energy: -92.169
flat angles C4'-P-C4' energy: -64.891
flat angles P-C4'-P energy: -35.432
tors. eta vs tors. theta energy: -0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -358.201293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.201293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.201293 (E_RNA)
where:
Base-Base interactions energy: -133.011
where: short stacking energy: -110.911
Base-Backbone interact. energy: -1.194
local terms energy: -223.995882
where:
bonds (distance) C4'-P energy: -65.344
bonds (distance) P-C4' energy: -84.696
flat angles C4'-P-C4' energy: -48.307
flat angles P-C4'-P energy: -29.977
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: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -351.133022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.133022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.133022 (E_RNA)
where:
Base-Base interactions energy: -101.305
where: short stacking energy: -90.085
Base-Backbone interact. energy: -0.892
local terms energy: -248.936467
where:
bonds (distance) C4'-P energy: -79.588
bonds (distance) P-C4' energy: -81.412
flat angles C4'-P-C4' energy: -66.853
flat angles P-C4'-P energy: -31.515
tors. eta vs tors. theta energy: 10.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1230.858543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.858543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.858543 (E_RNA)
where:
Base-Base interactions energy: -737.328
where: short stacking energy: -440.162
Base-Backbone interact. energy: 1.054
local terms energy: -494.584973
where:
bonds (distance) C4'-P energy: -92.729
bonds (distance) P-C4' energy: -92.624
flat angles C4'-P-C4' energy: -103.512
flat angles P-C4'-P energy: -70.991
tors. eta vs tors. theta energy: -134.728
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: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1085.177505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.177505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.177505 (E_RNA)
where:
Base-Base interactions energy: -663.646
where: short stacking energy: -355.154
Base-Backbone interact. energy: 0.021
local terms energy: -421.551807
where:
bonds (distance) C4'-P energy: -81.984
bonds (distance) P-C4' energy: -92.768
flat angles C4'-P-C4' energy: -101.310
flat angles P-C4'-P energy: -56.800
tors. eta vs tors. theta energy: -88.690
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: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -846.899723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.899723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.899723 (E_RNA)
where:
Base-Base interactions energy: -464.890
where: short stacking energy: -290.752
Base-Backbone interact. energy: -1.595
local terms energy: -380.414291
where:
bonds (distance) C4'-P energy: -85.294
bonds (distance) P-C4' energy: -87.774
flat angles C4'-P-C4' energy: -87.851
flat angles P-C4'-P energy: -58.012
tors. eta vs tors. theta energy: -61.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -865.004340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.004340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.004340 (E_RNA)
where:
Base-Base interactions energy: -466.122
where: short stacking energy: -274.213
Base-Backbone interact. energy: 1.409
local terms energy: -400.291411
where:
bonds (distance) C4'-P energy: -82.896
bonds (distance) P-C4' energy: -93.389
flat angles C4'-P-C4' energy: -90.842
flat angles P-C4'-P energy: -67.373
tors. eta vs tors. theta energy: -65.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -645.941315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.941315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.941315 (E_RNA)
where:
Base-Base interactions energy: -291.208
where: short stacking energy: -223.537
Base-Backbone interact. energy: -0.843
local terms energy: -353.891065
where:
bonds (distance) C4'-P energy: -82.557
bonds (distance) P-C4' energy: -100.478
flat angles C4'-P-C4' energy: -85.748
flat angles P-C4'-P energy: -56.494
tors. eta vs tors. theta energy: -28.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -572.943936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.943936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.943936 (E_RNA)
where:
Base-Base interactions energy: -236.676
where: short stacking energy: -177.799
Base-Backbone interact. energy: 0.396
local terms energy: -336.663656
where:
bonds (distance) C4'-P energy: -91.369
bonds (distance) P-C4' energy: -79.112
flat angles C4'-P-C4' energy: -82.409
flat angles P-C4'-P energy: -54.194
tors. eta vs tors. theta energy: -29.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -452.922704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.922704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.922704 (E_RNA)
where:
Base-Base interactions energy: -154.686
where: short stacking energy: -150.052
Base-Backbone interact. energy: -0.189
local terms energy: -298.047226
where:
bonds (distance) C4'-P energy: -76.717
bonds (distance) P-C4' energy: -79.625
flat angles C4'-P-C4' energy: -81.567
flat angles P-C4'-P energy: -48.015
tors. eta vs tors. theta energy: -12.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -419.045961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.045961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.045961 (E_RNA)
where:
Base-Base interactions energy: -156.105
where: short stacking energy: -137.792
Base-Backbone interact. energy: -1.915
local terms energy: -261.025682
where:
bonds (distance) C4'-P energy: -71.022
bonds (distance) P-C4' energy: -85.251
flat angles C4'-P-C4' energy: -60.331
flat angles P-C4'-P energy: -35.506
tors. eta vs tors. theta energy: -8.916
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: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -393.255024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.255024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.255024 (E_RNA)
where:
Base-Base interactions energy: -130.995
where: short stacking energy: -129.737
Base-Backbone interact. energy: 0.720
local terms energy: -262.980456
where:
bonds (distance) C4'-P energy: -57.357
bonds (distance) P-C4' energy: -81.412
flat angles C4'-P-C4' energy: -63.648
flat angles P-C4'-P energy: -59.801
tors. eta vs tors. theta energy: -0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -335.863228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.863228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.863228 (E_RNA)
where:
Base-Base interactions energy: -123.642
where: short stacking energy: -102.402
Base-Backbone interact. energy: -0.478
local terms energy: -211.743160
where:
bonds (distance) C4'-P energy: -66.191
bonds (distance) P-C4' energy: -73.266
flat angles C4'-P-C4' energy: -51.866
flat angles P-C4'-P energy: -28.877
tors. eta vs tors. theta energy: 8.456
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: 1, replica: 6
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1252.672944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.672944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.672944 (E_RNA)
where:
Base-Base interactions energy: -743.475
where: short stacking energy: -442.293
Base-Backbone interact. energy: -1.379
local terms energy: -507.818568
where:
bonds (distance) C4'-P energy: -106.179
bonds (distance) P-C4' energy: -99.875
flat angles C4'-P-C4' energy: -99.557
flat angles P-C4'-P energy: -67.994
tors. eta vs tors. theta energy: -134.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1090.034864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.034864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.034864 (E_RNA)
where:
Base-Base interactions energy: -638.134
where: short stacking energy: -365.636
Base-Backbone interact. energy: -2.852
local terms energy: -449.048293
where:
bonds (distance) C4'-P energy: -87.439
bonds (distance) P-C4' energy: -78.942
flat angles C4'-P-C4' energy: -106.201
flat angles P-C4'-P energy: -69.880
tors. eta vs tors. theta energy: -106.586
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: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -952.863576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.863576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.863576 (E_RNA)
where:
Base-Base interactions energy: -552.204
where: short stacking energy: -320.641
Base-Backbone interact. energy: -1.320
local terms energy: -399.339337
where:
bonds (distance) C4'-P energy: -73.253
bonds (distance) P-C4' energy: -91.411
flat angles C4'-P-C4' energy: -92.761
flat angles P-C4'-P energy: -60.937
tors. eta vs tors. theta energy: -80.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -902.619180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.619180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.619180 (E_RNA)
where:
Base-Base interactions energy: -496.013
where: short stacking energy: -292.523
Base-Backbone interact. energy: -2.256
local terms energy: -404.349479
where:
bonds (distance) C4'-P energy: -93.869
bonds (distance) P-C4' energy: -91.765
flat angles C4'-P-C4' energy: -88.527
flat angles P-C4'-P energy: -52.616
tors. eta vs tors. theta energy: -77.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -631.776114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.776114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.776114 (E_RNA)
where:
Base-Base interactions energy: -301.809
where: short stacking energy: -223.737
Base-Backbone interact. energy: 3.328
local terms energy: -333.295317
where:
bonds (distance) C4'-P energy: -90.310
bonds (distance) P-C4' energy: -86.048
flat angles C4'-P-C4' energy: -76.462
flat angles P-C4'-P energy: -52.581
tors. eta vs tors. theta energy: -27.894
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: 9
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -553.532056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.532056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.532056 (E_RNA)
where:
Base-Base interactions energy: -235.343
where: short stacking energy: -177.004
Base-Backbone interact. energy: 5.472
local terms energy: -323.660640
where:
bonds (distance) C4'-P energy: -78.244
bonds (distance) P-C4' energy: -84.566
flat angles C4'-P-C4' energy: -84.926
flat angles P-C4'-P energy: -54.049
tors. eta vs tors. theta energy: -21.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -476.035807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.035807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.035807 (E_RNA)
where:
Base-Base interactions energy: -191.371
where: short stacking energy: -166.775
Base-Backbone interact. energy: -0.499
local terms energy: -284.165246
where:
bonds (distance) C4'-P energy: -75.620
bonds (distance) P-C4' energy: -83.661
flat angles C4'-P-C4' energy: -66.919
flat angles P-C4'-P energy: -42.533
tors. eta vs tors. theta energy: -15.432
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: 5
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -437.462741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.462741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.462741 (E_RNA)
where:
Base-Base interactions energy: -145.059
where: short stacking energy: -132.121
Base-Backbone interact. energy: -1.549
local terms energy: -290.855440
where:
bonds (distance) C4'-P energy: -83.484
bonds (distance) P-C4' energy: -81.075
flat angles C4'-P-C4' energy: -75.139
flat angles P-C4'-P energy: -40.285
tors. eta vs tors. theta energy: -10.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -369.673051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.673051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.673051 (E_RNA)
where:
Base-Base interactions energy: -120.275
where: short stacking energy: -104.316
Base-Backbone interact. energy: -0.583
local terms energy: -248.815439
where:
bonds (distance) C4'-P energy: -74.158
bonds (distance) P-C4' energy: -92.698
flat angles C4'-P-C4' energy: -57.308
flat angles P-C4'-P energy: -35.732
tors. eta vs tors. theta energy: 11.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -354.522682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.522682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.522682 (E_RNA)
where:
Base-Base interactions energy: -123.901
where: short stacking energy: -104.473
Base-Backbone interact. energy: 0.560
local terms energy: -231.181332
where:
bonds (distance) C4'-P energy: -63.256
bonds (distance) P-C4' energy: -68.755
flat angles C4'-P-C4' energy: -68.191
flat angles P-C4'-P energy: -29.538
tors. eta vs tors. theta energy: -1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1282.219347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.219347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.219347 (E_RNA)
where:
Base-Base interactions energy: -767.416
where: short stacking energy: -458.616
Base-Backbone interact. energy: -0.762
local terms energy: -514.041218
where:
bonds (distance) C4'-P energy: -94.190
bonds (distance) P-C4' energy: -96.241
flat angles C4'-P-C4' energy: -112.392
flat angles P-C4'-P energy: -69.303
tors. eta vs tors. theta energy: -141.914
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: 177
Temperature: 0.950000
Total energy: -1029.127761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.127761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.127761 (E_RNA)
where:
Base-Base interactions energy: -607.929
where: short stacking energy: -362.035
Base-Backbone interact. energy: -0.508
local terms energy: -420.691549
where:
bonds (distance) C4'-P energy: -78.151
bonds (distance) P-C4' energy: -88.920
flat angles C4'-P-C4' energy: -93.239
flat angles P-C4'-P energy: -61.718
tors. eta vs tors. theta energy: -98.664
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: 177
Temperature: 1.000000
Total energy: -957.488818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.488818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.488818 (E_RNA)
where:
Base-Base interactions energy: -559.329
where: short stacking energy: -333.383
Base-Backbone interact. energy: 0.628
local terms energy: -398.787117
where:
bonds (distance) C4'-P energy: -81.454
bonds (distance) P-C4' energy: -88.056
flat angles C4'-P-C4' energy: -86.909
flat angles P-C4'-P energy: -61.077
tors. eta vs tors. theta energy: -81.291
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: 177
Temperature: 1.050000
Total energy: -862.589724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.589724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.589724 (E_RNA)
where:
Base-Base interactions energy: -463.721
where: short stacking energy: -278.810
Base-Backbone interact. energy: -0.917
local terms energy: -397.951540
where:
bonds (distance) C4'-P energy: -80.923
bonds (distance) P-C4' energy: -94.332
flat angles C4'-P-C4' energy: -99.594
flat angles P-C4'-P energy: -53.529
tors. eta vs tors. theta energy: -69.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -611.276741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.276741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.276741 (E_RNA)
where:
Base-Base interactions energy: -260.818
where: short stacking energy: -199.638
Base-Backbone interact. energy: -0.382
local terms energy: -350.076629
where:
bonds (distance) C4'-P energy: -80.996
bonds (distance) P-C4' energy: -88.834
flat angles C4'-P-C4' energy: -93.318
flat angles P-C4'-P energy: -56.613
tors. eta vs tors. theta energy: -30.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -565.874645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.874645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.874645 (E_RNA)
where:
Base-Base interactions energy: -235.088
where: short stacking energy: -176.889
Base-Backbone interact. energy: -0.471
local terms energy: -330.315429
where:
bonds (distance) C4'-P energy: -93.423
bonds (distance) P-C4' energy: -83.588
flat angles C4'-P-C4' energy: -95.026
flat angles P-C4'-P energy: -49.097
tors. eta vs tors. theta energy: -9.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -502.758674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.758674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.758674 (E_RNA)
where:
Base-Base interactions energy: -219.273
where: short stacking energy: -170.645
Base-Backbone interact. energy: -0.130
local terms energy: -283.355675
where:
bonds (distance) C4'-P energy: -84.420
bonds (distance) P-C4' energy: -81.468
flat angles C4'-P-C4' energy: -67.742
flat angles P-C4'-P energy: -36.971
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -418.211550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.211550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.211550 (E_RNA)
where:
Base-Base interactions energy: -176.313
where: short stacking energy: -150.796
Base-Backbone interact. energy: 5.527
local terms energy: -247.424688
where:
bonds (distance) C4'-P energy: -66.874
bonds (distance) P-C4' energy: -69.903
flat angles C4'-P-C4' energy: -72.190
flat angles P-C4'-P energy: -42.023
tors. eta vs tors. theta energy: 3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -392.991594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.991594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.991594 (E_RNA)
where:
Base-Base interactions energy: -161.287
where: short stacking energy: -123.876
Base-Backbone interact. energy: 2.212
local terms energy: -233.916183
where:
bonds (distance) C4'-P energy: -69.553
bonds (distance) P-C4' energy: -72.922
flat angles C4'-P-C4' energy: -68.103
flat angles P-C4'-P energy: -34.230
tors. eta vs tors. theta energy: 10.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -350.257972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.257972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.257972 (E_RNA)
where:
Base-Base interactions energy: -110.700
where: short stacking energy: -94.513
Base-Backbone interact. energy: 0.005
local terms energy: -239.562355
where:
bonds (distance) C4'-P energy: -80.218
bonds (distance) P-C4' energy: -82.028
flat angles C4'-P-C4' energy: -69.720
flat angles P-C4'-P energy: -22.866
tors. eta vs tors. theta energy: 15.270
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: 6
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1223.909372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.909372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.909372 (E_RNA)
where:
Base-Base interactions energy: -738.299
where: short stacking energy: -440.827
Base-Backbone interact. energy: -1.032
local terms energy: -484.578374
where:
bonds (distance) C4'-P energy: -80.867
bonds (distance) P-C4' energy: -90.328
flat angles C4'-P-C4' energy: -105.957
flat angles P-C4'-P energy: -74.735
tors. eta vs tors. theta energy: -132.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1009.075953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.075953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.075953 (E_RNA)
where:
Base-Base interactions energy: -591.863
where: short stacking energy: -354.092
Base-Backbone interact. energy: 1.454
local terms energy: -418.667414
where:
bonds (distance) C4'-P energy: -80.856
bonds (distance) P-C4' energy: -86.144
flat angles C4'-P-C4' energy: -98.605
flat angles P-C4'-P energy: -58.154
tors. eta vs tors. theta energy: -94.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -973.423321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.423321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.423321 (E_RNA)
where:
Base-Base interactions energy: -542.129
where: short stacking energy: -340.630
Base-Backbone interact. energy: -0.465
local terms energy: -430.829200
where:
bonds (distance) C4'-P energy: -94.039
bonds (distance) P-C4' energy: -90.885
flat angles C4'-P-C4' energy: -100.404
flat angles P-C4'-P energy: -61.097
tors. eta vs tors. theta energy: -84.403
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: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -861.499884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.499884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.499884 (E_RNA)
where:
Base-Base interactions energy: -473.234
where: short stacking energy: -291.454
Base-Backbone interact. energy: -0.952
local terms energy: -387.313750
where:
bonds (distance) C4'-P energy: -77.518
bonds (distance) P-C4' energy: -87.677
flat angles C4'-P-C4' energy: -88.437
flat angles P-C4'-P energy: -62.369
tors. eta vs tors. theta energy: -71.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -647.481674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.481674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.481674 (E_RNA)
where:
Base-Base interactions energy: -322.371
where: short stacking energy: -235.712
Base-Backbone interact. energy: -2.142
local terms energy: -322.969168
where:
bonds (distance) C4'-P energy: -75.785
bonds (distance) P-C4' energy: -81.344
flat angles C4'-P-C4' energy: -77.133
flat angles P-C4'-P energy: -46.461
tors. eta vs tors. theta energy: -42.246
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: 6, replica: 9
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -570.750295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.750295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.750295 (E_RNA)
where:
Base-Base interactions energy: -242.311
where: short stacking energy: -164.880
Base-Backbone interact. energy: -0.790
local terms energy: -327.649927
where:
bonds (distance) C4'-P energy: -84.221
bonds (distance) P-C4' energy: -82.117
flat angles C4'-P-C4' energy: -75.932
flat angles P-C4'-P energy: -62.666
tors. eta vs tors. theta energy: -22.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -466.901809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.901809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.901809 (E_RNA)
where:
Base-Base interactions energy: -195.222
where: short stacking energy: -152.005
Base-Backbone interact. energy: 2.971
local terms energy: -274.650508
where:
bonds (distance) C4'-P energy: -75.675
bonds (distance) P-C4' energy: -71.703
flat angles C4'-P-C4' energy: -67.863
flat angles P-C4'-P energy: -48.140
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: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -489.199346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.199346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.199346 (E_RNA)
where:
Base-Base interactions energy: -227.401
where: short stacking energy: -157.527
Base-Backbone interact. energy: 1.309
local terms energy: -263.107566
where:
bonds (distance) C4'-P energy: -79.721
bonds (distance) P-C4' energy: -63.978
flat angles C4'-P-C4' energy: -76.525
flat angles P-C4'-P energy: -29.172
tors. eta vs tors. theta energy: -13.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -403.467083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.467083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.467083 (E_RNA)
where:
Base-Base interactions energy: -163.607
where: short stacking energy: -135.170
Base-Backbone interact. energy: 0.892
local terms energy: -240.752870
where:
bonds (distance) C4'-P energy: -52.536
bonds (distance) P-C4' energy: -74.315
flat angles C4'-P-C4' energy: -69.202
flat angles P-C4'-P energy: -39.531
tors. eta vs tors. theta energy: -5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -375.043369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.043369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.043369 (E_RNA)
where:
Base-Base interactions energy: -120.791
where: short stacking energy: -104.711
Base-Backbone interact. energy: -0.339
local terms energy: -253.913035
where:
bonds (distance) C4'-P energy: -59.586
bonds (distance) P-C4' energy: -89.140
flat angles C4'-P-C4' energy: -82.166
flat angles P-C4'-P energy: -34.398
tors. eta vs tors. theta energy: 11.377
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: 6
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1242.361278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.361278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.361278 (E_RNA)
where:
Base-Base interactions energy: -768.048
where: short stacking energy: -445.497
Base-Backbone interact. energy: -0.076
local terms energy: -474.237393
where:
bonds (distance) C4'-P energy: -98.345
bonds (distance) P-C4' energy: -95.712
flat angles C4'-P-C4' energy: -100.896
flat angles P-C4'-P energy: -49.556
tors. eta vs tors. theta energy: -129.729
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: 179
Temperature: 0.950000
Total energy: -1032.631933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.631933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.631933 (E_RNA)
where:
Base-Base interactions energy: -572.884
where: short stacking energy: -398.995
Base-Backbone interact. energy: -0.123
local terms energy: -459.625172
where:
bonds (distance) C4'-P energy: -88.250
bonds (distance) P-C4' energy: -94.278
flat angles C4'-P-C4' energy: -103.705
flat angles P-C4'-P energy: -66.999
tors. eta vs tors. theta energy: -106.393
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: 179
Temperature: 1.000000
Total energy: -970.755492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.755492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.755492 (E_RNA)
where:
Base-Base interactions energy: -563.939
where: short stacking energy: -312.148
Base-Backbone interact. energy: -1.059
local terms energy: -405.756739
where:
bonds (distance) C4'-P energy: -79.208
bonds (distance) P-C4' energy: -88.765
flat angles C4'-P-C4' energy: -97.428
flat angles P-C4'-P energy: -58.647
tors. eta vs tors. theta energy: -81.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -793.722971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.722971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.722971 (E_RNA)
where:
Base-Base interactions energy: -433.009
where: short stacking energy: -257.584
Base-Backbone interact. energy: 2.576
local terms energy: -363.289725
where:
bonds (distance) C4'-P energy: -93.467
bonds (distance) P-C4' energy: -75.453
flat angles C4'-P-C4' energy: -83.554
flat angles P-C4'-P energy: -54.518
tors. eta vs tors. theta energy: -56.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -641.894765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.894765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.894765 (E_RNA)
where:
Base-Base interactions energy: -330.220
where: short stacking energy: -216.443
Base-Backbone interact. energy: -0.401
local terms energy: -311.273672
where:
bonds (distance) C4'-P energy: -74.276
bonds (distance) P-C4' energy: -73.902
flat angles C4'-P-C4' energy: -87.026
flat angles P-C4'-P energy: -43.306
tors. eta vs tors. theta energy: -32.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -541.308067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.308067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.308067 (E_RNA)
where:
Base-Base interactions energy: -249.191
where: short stacking energy: -211.262
Base-Backbone interact. energy: 0.611
local terms energy: -292.727542
where:
bonds (distance) C4'-P energy: -84.380
bonds (distance) P-C4' energy: -78.576
flat angles C4'-P-C4' energy: -66.838
flat angles P-C4'-P energy: -30.793
tors. eta vs tors. theta energy: -32.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -508.082889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.082889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.082889 (E_RNA)
where:
Base-Base interactions energy: -215.821
where: short stacking energy: -158.814
Base-Backbone interact. energy: 1.686
local terms energy: -293.947877
where:
bonds (distance) C4'-P energy: -67.079
bonds (distance) P-C4' energy: -86.685
flat angles C4'-P-C4' energy: -76.960
flat angles P-C4'-P energy: -52.234
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -494.507455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.507455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.507455 (E_RNA)
where:
Base-Base interactions energy: -221.425
where: short stacking energy: -157.233
Base-Backbone interact. energy: 0.131
local terms energy: -273.213296
where:
bonds (distance) C4'-P energy: -80.864
bonds (distance) P-C4' energy: -79.462
flat angles C4'-P-C4' energy: -70.366
flat angles P-C4'-P energy: -37.452
tors. eta vs tors. theta energy: -5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -386.404407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.404407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.404407 (E_RNA)
where:
Base-Base interactions energy: -142.635
where: short stacking energy: -126.175
Base-Backbone interact. energy: 3.920
local terms energy: -247.689067
where:
bonds (distance) C4'-P energy: -70.861
bonds (distance) P-C4' energy: -85.694
flat angles C4'-P-C4' energy: -51.576
flat angles P-C4'-P energy: -43.139
tors. eta vs tors. theta energy: 3.581
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: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -323.719966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.719966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.719966 (E_RNA)
where:
Base-Base interactions energy: -97.940
where: short stacking energy: -80.798
Base-Backbone interact. energy: 1.540
local terms energy: -227.320156
where:
bonds (distance) C4'-P energy: -67.111
bonds (distance) P-C4' energy: -76.498
flat angles C4'-P-C4' energy: -61.580
flat angles P-C4'-P energy: -48.844
tors. eta vs tors. theta energy: 26.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1259.709472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.709472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.709472 (E_RNA)
where:
Base-Base interactions energy: -759.045
where: short stacking energy: -429.505
Base-Backbone interact. energy: -0.146
local terms energy: -500.517734
where:
bonds (distance) C4'-P energy: -98.248
bonds (distance) P-C4' energy: -93.537
flat angles C4'-P-C4' energy: -116.669
flat angles P-C4'-P energy: -59.362
tors. eta vs tors. theta energy: -132.701
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: 2
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1023.211401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.211401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.211401 (E_RNA)
where:
Base-Base interactions energy: -566.900
where: short stacking energy: -365.477
Base-Backbone interact. energy: 0.021
local terms energy: -456.332122
where:
bonds (distance) C4'-P energy: -90.933
bonds (distance) P-C4' energy: -89.423
flat angles C4'-P-C4' energy: -97.400
flat angles P-C4'-P energy: -70.476
tors. eta vs tors. theta energy: -108.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1019.346641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.346641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.346641 (E_RNA)
where:
Base-Base interactions energy: -595.577
where: short stacking energy: -339.914
Base-Backbone interact. energy: 0.677
local terms energy: -424.446125
where:
bonds (distance) C4'-P energy: -79.556
bonds (distance) P-C4' energy: -94.359
flat angles C4'-P-C4' energy: -87.860
flat angles P-C4'-P energy: -67.218
tors. eta vs tors. theta energy: -95.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -826.281048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.281048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.281048 (E_RNA)
where:
Base-Base interactions energy: -441.367
where: short stacking energy: -302.089
Base-Backbone interact. energy: -0.214
local terms energy: -384.700410
where:
bonds (distance) C4'-P energy: -83.531
bonds (distance) P-C4' energy: -87.648
flat angles C4'-P-C4' energy: -81.926
flat angles P-C4'-P energy: -63.852
tors. eta vs tors. theta energy: -67.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -651.300350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.300350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.300350 (E_RNA)
where:
Base-Base interactions energy: -282.404
where: short stacking energy: -213.457
Base-Backbone interact. energy: -0.619
local terms energy: -368.277357
where:
bonds (distance) C4'-P energy: -74.104
bonds (distance) P-C4' energy: -90.006
flat angles C4'-P-C4' energy: -98.493
flat angles P-C4'-P energy: -68.471
tors. eta vs tors. theta energy: -37.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -512.332978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.332978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.332978 (E_RNA)
where:
Base-Base interactions energy: -218.549
where: short stacking energy: -182.785
Base-Backbone interact. energy: 1.961
local terms energy: -295.744399
where:
bonds (distance) C4'-P energy: -80.486
bonds (distance) P-C4' energy: -81.068
flat angles C4'-P-C4' energy: -67.119
flat angles P-C4'-P energy: -40.096
tors. eta vs tors. theta energy: -26.976
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: 7, replica: 9
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -558.230619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.230619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.230619 (E_RNA)
where:
Base-Base interactions energy: -266.204
where: short stacking energy: -193.057
Base-Backbone interact. energy: -1.208
local terms energy: -290.818454
where:
bonds (distance) C4'-P energy: -79.386
bonds (distance) P-C4' energy: -80.662
flat angles C4'-P-C4' energy: -70.757
flat angles P-C4'-P energy: -46.531
tors. eta vs tors. theta energy: -13.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -483.518504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.518504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.518504 (E_RNA)
where:
Base-Base interactions energy: -238.948
where: short stacking energy: -159.684
Base-Backbone interact. energy: 0.788
local terms energy: -245.358326
where:
bonds (distance) C4'-P energy: -56.912
bonds (distance) P-C4' energy: -89.444
flat angles C4'-P-C4' energy: -61.193
flat angles P-C4'-P energy: -41.583
tors. eta vs tors. theta energy: 3.773
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: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -383.717593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.717593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.717593 (E_RNA)
where:
Base-Base interactions energy: -108.012
where: short stacking energy: -96.479
Base-Backbone interact. energy: -3.352
local terms energy: -272.353284
where:
bonds (distance) C4'-P energy: -82.906
bonds (distance) P-C4' energy: -86.647
flat angles C4'-P-C4' energy: -69.855
flat angles P-C4'-P energy: -38.654
tors. eta vs tors. theta energy: 5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -351.367165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.367165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.367165 (E_RNA)
where:
Base-Base interactions energy: -93.180
where: short stacking energy: -85.124
Base-Backbone interact. energy: 0.101
local terms energy: -258.288714
where:
bonds (distance) C4'-P energy: -75.766
bonds (distance) P-C4' energy: -94.331
flat angles C4'-P-C4' energy: -73.062
flat angles P-C4'-P energy: -26.077
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: 1, replica: 6
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1258.766380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.766380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.766380 (E_RNA)
where:
Base-Base interactions energy: -768.044
where: short stacking energy: -441.908
Base-Backbone interact. energy: 0.147
local terms energy: -490.870218
where:
bonds (distance) C4'-P energy: -98.631
bonds (distance) P-C4' energy: -94.921
flat angles C4'-P-C4' energy: -97.119
flat angles P-C4'-P energy: -62.513
tors. eta vs tors. theta energy: -137.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1058.153954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.153954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.153954 (E_RNA)
where:
Base-Base interactions energy: -595.826
where: short stacking energy: -397.384
Base-Backbone interact. energy: -1.158
local terms energy: -461.170022
where:
bonds (distance) C4'-P energy: -83.385
bonds (distance) P-C4' energy: -96.927
flat angles C4'-P-C4' energy: -98.533
flat angles P-C4'-P energy: -66.149
tors. eta vs tors. theta energy: -116.175
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: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1064.590011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.590011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.590011 (E_RNA)
where:
Base-Base interactions energy: -633.117
where: short stacking energy: -361.968
Base-Backbone interact. energy: -1.918
local terms energy: -429.555074
where:
bonds (distance) C4'-P energy: -84.440
bonds (distance) P-C4' energy: -86.583
flat angles C4'-P-C4' energy: -89.800
flat angles P-C4'-P energy: -59.467
tors. eta vs tors. theta energy: -109.265
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: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -870.694347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.694347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.694347 (E_RNA)
where:
Base-Base interactions energy: -480.025
where: short stacking energy: -306.923
Base-Backbone interact. energy: 2.512
local terms energy: -393.181953
where:
bonds (distance) C4'-P energy: -78.705
bonds (distance) P-C4' energy: -90.750
flat angles C4'-P-C4' energy: -87.460
flat angles P-C4'-P energy: -51.180
tors. eta vs tors. theta energy: -85.088
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: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -656.629666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.629666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.629666 (E_RNA)
where:
Base-Base interactions energy: -313.332
where: short stacking energy: -227.324
Base-Backbone interact. energy: -1.096
local terms energy: -342.202084
where:
bonds (distance) C4'-P energy: -82.539
bonds (distance) P-C4' energy: -79.250
flat angles C4'-P-C4' energy: -90.720
flat angles P-C4'-P energy: -53.737
tors. eta vs tors. theta energy: -35.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -520.895629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.895629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.895629 (E_RNA)
where:
Base-Base interactions energy: -197.504
where: short stacking energy: -182.289
Base-Backbone interact. energy: -2.052
local terms energy: -321.339164
where:
bonds (distance) C4'-P energy: -90.553
bonds (distance) P-C4' energy: -77.068
flat angles C4'-P-C4' energy: -86.359
flat angles P-C4'-P energy: -49.663
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -512.692895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.692895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.692895 (E_RNA)
where:
Base-Base interactions energy: -218.723
where: short stacking energy: -166.034
Base-Backbone interact. energy: -2.977
local terms energy: -290.992766
where:
bonds (distance) C4'-P energy: -80.176
bonds (distance) P-C4' energy: -78.340
flat angles C4'-P-C4' energy: -78.062
flat angles P-C4'-P energy: -33.910
tors. eta vs tors. theta energy: -20.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -430.134362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.134362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.134362 (E_RNA)
where:
Base-Base interactions energy: -149.615
where: short stacking energy: -131.860
Base-Backbone interact. energy: 3.721
local terms energy: -284.241103
where:
bonds (distance) C4'-P energy: -82.589
bonds (distance) P-C4' energy: -63.371
flat angles C4'-P-C4' energy: -84.681
flat angles P-C4'-P energy: -47.892
tors. eta vs tors. theta energy: -5.708
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: 181
Temperature: 1.300000
Total energy: -450.620279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.620279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.620279 (E_RNA)
where:
Base-Base interactions energy: -173.412
where: short stacking energy: -107.232
Base-Backbone interact. energy: -0.774
local terms energy: -276.433592
where:
bonds (distance) C4'-P energy: -79.260
bonds (distance) P-C4' energy: -82.846
flat angles C4'-P-C4' energy: -53.356
flat angles P-C4'-P energy: -56.286
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -344.929066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.929066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.929066 (E_RNA)
where:
Base-Base interactions energy: -111.338
where: short stacking energy: -106.296
Base-Backbone interact. energy: 2.338
local terms energy: -235.929356
where:
bonds (distance) C4'-P energy: -75.541
bonds (distance) P-C4' energy: -83.333
flat angles C4'-P-C4' energy: -47.303
flat angles P-C4'-P energy: -34.616
tors. eta vs tors. theta energy: 4.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1243.768127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.768127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.768127 (E_RNA)
where:
Base-Base interactions energy: -740.464
where: short stacking energy: -432.067
Base-Backbone interact. energy: -2.068
local terms energy: -501.236129
where:
bonds (distance) C4'-P energy: -97.436
bonds (distance) P-C4' energy: -98.356
flat angles C4'-P-C4' energy: -101.708
flat angles P-C4'-P energy: -66.961
tors. eta vs tors. theta energy: -136.775
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: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1087.315446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.315446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.315446 (E_RNA)
where:
Base-Base interactions energy: -622.500
where: short stacking energy: -409.091
Base-Backbone interact. energy: -0.224
local terms energy: -464.592347
where:
bonds (distance) C4'-P energy: -84.293
bonds (distance) P-C4' energy: -81.650
flat angles C4'-P-C4' energy: -112.169
flat angles P-C4'-P energy: -68.085
tors. eta vs tors. theta energy: -118.397
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: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -980.817844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.817844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.817844 (E_RNA)
where:
Base-Base interactions energy: -571.461
where: short stacking energy: -315.340
Base-Backbone interact. energy: -0.197
local terms energy: -409.159036
where:
bonds (distance) C4'-P energy: -90.301
bonds (distance) P-C4' energy: -87.056
flat angles C4'-P-C4' energy: -88.264
flat angles P-C4'-P energy: -54.769
tors. eta vs tors. theta energy: -88.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -791.287759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.287759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.287759 (E_RNA)
where:
Base-Base interactions energy: -410.978
where: short stacking energy: -269.398
Base-Backbone interact. energy: 1.158
local terms energy: -381.467976
where:
bonds (distance) C4'-P energy: -79.298
bonds (distance) P-C4' energy: -97.474
flat angles C4'-P-C4' energy: -91.886
flat angles P-C4'-P energy: -56.685
tors. eta vs tors. theta energy: -56.125
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: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -651.221695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.221695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.221695 (E_RNA)
where:
Base-Base interactions energy: -303.019
where: short stacking energy: -206.377
Base-Backbone interact. energy: 0.436
local terms energy: -348.638398
where:
bonds (distance) C4'-P energy: -89.845
bonds (distance) P-C4' energy: -94.087
flat angles C4'-P-C4' energy: -84.267
flat angles P-C4'-P energy: -54.408
tors. eta vs tors. theta energy: -26.030
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: 1
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -500.038739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.038739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.038739 (E_RNA)
where:
Base-Base interactions energy: -174.334
where: short stacking energy: -151.206
Base-Backbone interact. energy: 1.541
local terms energy: -327.245223
where:
bonds (distance) C4'-P energy: -91.091
bonds (distance) P-C4' energy: -85.590
flat angles C4'-P-C4' energy: -91.973
flat angles P-C4'-P energy: -41.492
tors. eta vs tors. theta energy: -17.098
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: 9
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -498.334890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.334890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.334890 (E_RNA)
where:
Base-Base interactions energy: -215.745
where: short stacking energy: -160.017
Base-Backbone interact. energy: 0.398
local terms energy: -282.987990
where:
bonds (distance) C4'-P energy: -71.692
bonds (distance) P-C4' energy: -84.099
flat angles C4'-P-C4' energy: -81.805
flat angles P-C4'-P energy: -33.002
tors. eta vs tors. theta energy: -12.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -438.388600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.388600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.388600 (E_RNA)
where:
Base-Base interactions energy: -154.007
where: short stacking energy: -125.845
Base-Backbone interact. energy: -3.017
local terms energy: -281.364100
where:
bonds (distance) C4'-P energy: -75.072
bonds (distance) P-C4' energy: -85.917
flat angles C4'-P-C4' energy: -73.529
flat angles P-C4'-P energy: -36.684
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: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -456.999091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.999091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.999091 (E_RNA)
where:
Base-Base interactions energy: -193.184
where: short stacking energy: -150.440
Base-Backbone interact. energy: -1.896
local terms energy: -261.919066
where:
bonds (distance) C4'-P energy: -68.122
bonds (distance) P-C4' energy: -68.275
flat angles C4'-P-C4' energy: -69.683
flat angles P-C4'-P energy: -49.491
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -368.726731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.726731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.726731 (E_RNA)
where:
Base-Base interactions energy: -138.264
where: short stacking energy: -86.734
Base-Backbone interact. energy: -1.869
local terms energy: -228.593249
where:
bonds (distance) C4'-P energy: -82.189
bonds (distance) P-C4' energy: -73.339
flat angles C4'-P-C4' energy: -64.610
flat angles P-C4'-P energy: -24.826
tors. eta vs tors. theta energy: 16.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1238.682346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.682346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.682346 (E_RNA)
where:
Base-Base interactions energy: -751.768
where: short stacking energy: -445.656
Base-Backbone interact. energy: -1.176
local terms energy: -485.738385
where:
bonds (distance) C4'-P energy: -82.026
bonds (distance) P-C4' energy: -97.613
flat angles C4'-P-C4' energy: -103.873
flat angles P-C4'-P energy: -73.648
tors. eta vs tors. theta energy: -128.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1124.699943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.699943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.699943 (E_RNA)
where:
Base-Base interactions energy: -656.185
where: short stacking energy: -434.738
Base-Backbone interact. energy: -0.384
local terms energy: -468.130945
where:
bonds (distance) C4'-P energy: -76.717
bonds (distance) P-C4' energy: -88.542
flat angles C4'-P-C4' energy: -98.308
flat angles P-C4'-P energy: -68.812
tors. eta vs tors. theta energy: -135.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -957.551807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.551807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.551807 (E_RNA)
where:
Base-Base interactions energy: -536.905
where: short stacking energy: -341.512
Base-Backbone interact. energy: 1.000
local terms energy: -421.646791
where:
bonds (distance) C4'-P energy: -83.838
bonds (distance) P-C4' energy: -94.682
flat angles C4'-P-C4' energy: -102.648
flat angles P-C4'-P energy: -51.686
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: 183
Temperature: 1.050000
Total energy: -812.108535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.108535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.108535 (E_RNA)
where:
Base-Base interactions energy: -428.106
where: short stacking energy: -269.055
Base-Backbone interact. energy: -1.623
local terms energy: -382.379637
where:
bonds (distance) C4'-P energy: -92.498
bonds (distance) P-C4' energy: -88.492
flat angles C4'-P-C4' energy: -86.745
flat angles P-C4'-P energy: -51.980
tors. eta vs tors. theta energy: -62.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -692.698539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.698539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.698539 (E_RNA)
where:
Base-Base interactions energy: -356.991
where: short stacking energy: -209.663
Base-Backbone interact. energy: 0.509
local terms energy: -336.216798
where:
bonds (distance) C4'-P energy: -88.537
bonds (distance) P-C4' energy: -82.763
flat angles C4'-P-C4' energy: -77.622
flat angles P-C4'-P energy: -60.134
tors. eta vs tors. theta energy: -27.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -484.050165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.050165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.050165 (E_RNA)
where:
Base-Base interactions energy: -178.691
where: short stacking energy: -154.477
Base-Backbone interact. energy: -0.555
local terms energy: -304.804192
where:
bonds (distance) C4'-P energy: -83.574
bonds (distance) P-C4' energy: -87.703
flat angles C4'-P-C4' energy: -73.214
flat angles P-C4'-P energy: -51.209
tors. eta vs tors. theta energy: -9.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -511.265933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.265933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.265933 (E_RNA)
where:
Base-Base interactions energy: -223.218
where: short stacking energy: -168.283
Base-Backbone interact. energy: 1.413
local terms energy: -289.460528
where:
bonds (distance) C4'-P energy: -65.363
bonds (distance) P-C4' energy: -81.641
flat angles C4'-P-C4' energy: -78.516
flat angles P-C4'-P energy: -52.722
tors. eta vs tors. theta energy: -11.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -464.184957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.184957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.184957 (E_RNA)
where:
Base-Base interactions energy: -198.885
where: short stacking energy: -144.209
Base-Backbone interact. energy: -2.286
local terms energy: -263.014760
where:
bonds (distance) C4'-P energy: -80.800
bonds (distance) P-C4' energy: -82.263
flat angles C4'-P-C4' energy: -75.180
flat angles P-C4'-P energy: -26.594
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: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -390.219580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.219580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.219580 (E_RNA)
where:
Base-Base interactions energy: -128.432
where: short stacking energy: -96.594
Base-Backbone interact. energy: -2.256
local terms energy: -259.531263
where:
bonds (distance) C4'-P energy: -86.143
bonds (distance) P-C4' energy: -80.885
flat angles C4'-P-C4' energy: -76.567
flat angles P-C4'-P energy: -34.319
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: 10, replica: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -339.242516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.242516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.242516 (E_RNA)
where:
Base-Base interactions energy: -106.435
where: short stacking energy: -95.877
Base-Backbone interact. energy: 1.231
local terms energy: -234.038017
where:
bonds (distance) C4'-P energy: -62.722
bonds (distance) P-C4' energy: -83.217
flat angles C4'-P-C4' energy: -56.752
flat angles P-C4'-P energy: -52.646
tors. eta vs tors. theta energy: 21.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1243.991787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.991787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.991787 (E_RNA)
where:
Base-Base interactions energy: -745.917
where: short stacking energy: -446.105
Base-Backbone interact. energy: -1.493
local terms energy: -496.582190
where:
bonds (distance) C4'-P energy: -99.702
bonds (distance) P-C4' energy: -93.976
flat angles C4'-P-C4' energy: -93.977
flat angles P-C4'-P energy: -70.468
tors. eta vs tors. theta energy: -138.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1111.091830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.091830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.091830 (E_RNA)
where:
Base-Base interactions energy: -643.526
where: short stacking energy: -403.924
Base-Backbone interact. energy: -0.809
local terms energy: -466.757231
where:
bonds (distance) C4'-P energy: -98.621
bonds (distance) P-C4' energy: -84.838
flat angles C4'-P-C4' energy: -100.614
flat angles P-C4'-P energy: -67.577
tors. eta vs tors. theta energy: -115.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1006.011933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.011933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.011933 (E_RNA)
where:
Base-Base interactions energy: -590.480
where: short stacking energy: -324.724
Base-Backbone interact. energy: -1.272
local terms energy: -414.259527
where:
bonds (distance) C4'-P energy: -77.075
bonds (distance) P-C4' energy: -100.179
flat angles C4'-P-C4' energy: -101.607
flat angles P-C4'-P energy: -55.048
tors. eta vs tors. theta energy: -80.350
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: 7
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -826.027513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.027513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.027513 (E_RNA)
where:
Base-Base interactions energy: -430.240
where: short stacking energy: -268.988
Base-Backbone interact. energy: -1.998
local terms energy: -393.789632
where:
bonds (distance) C4'-P energy: -91.921
bonds (distance) P-C4' energy: -92.082
flat angles C4'-P-C4' energy: -90.834
flat angles P-C4'-P energy: -59.388
tors. eta vs tors. theta energy: -59.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -675.610771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.610771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.610771 (E_RNA)
where:
Base-Base interactions energy: -320.633
where: short stacking energy: -221.090
Base-Backbone interact. energy: 0.275
local terms energy: -355.252319
where:
bonds (distance) C4'-P energy: -87.066
bonds (distance) P-C4' energy: -86.917
flat angles C4'-P-C4' energy: -78.724
flat angles P-C4'-P energy: -62.885
tors. eta vs tors. theta energy: -39.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -522.038517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.038517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.038517 (E_RNA)
where:
Base-Base interactions energy: -200.445
where: short stacking energy: -174.213
Base-Backbone interact. energy: -0.595
local terms energy: -320.998232
where:
bonds (distance) C4'-P energy: -87.902
bonds (distance) P-C4' energy: -71.482
flat angles C4'-P-C4' energy: -86.585
flat angles P-C4'-P energy: -43.859
tors. eta vs tors. theta energy: -31.170
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: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -522.878044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.878044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.878044 (E_RNA)
where:
Base-Base interactions energy: -228.886
where: short stacking energy: -160.934
Base-Backbone interact. energy: 5.313
local terms energy: -299.305719
where:
bonds (distance) C4'-P energy: -70.022
bonds (distance) P-C4' energy: -84.254
flat angles C4'-P-C4' energy: -73.936
flat angles P-C4'-P energy: -61.139
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: 8, replica: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -451.115401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.115401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.115401 (E_RNA)
where:
Base-Base interactions energy: -181.740
where: short stacking energy: -146.643
Base-Backbone interact. energy: 1.267
local terms energy: -270.643154
where:
bonds (distance) C4'-P energy: -72.229
bonds (distance) P-C4' energy: -85.598
flat angles C4'-P-C4' energy: -61.590
flat angles P-C4'-P energy: -50.055
tors. eta vs tors. theta energy: -1.170
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: 5
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -373.579673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.579673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.579673 (E_RNA)
where:
Base-Base interactions energy: -130.196
where: short stacking energy: -77.079
Base-Backbone interact. energy: -1.612
local terms energy: -241.771909
where:
bonds (distance) C4'-P energy: -85.528
bonds (distance) P-C4' energy: -78.475
flat angles C4'-P-C4' energy: -53.282
flat angles P-C4'-P energy: -42.806
tors. eta vs tors. theta energy: 18.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -345.699925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.699925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.699925 (E_RNA)
where:
Base-Base interactions energy: -97.186
where: short stacking energy: -93.030
Base-Backbone interact. energy: -2.073
local terms energy: -246.441359
where:
bonds (distance) C4'-P energy: -81.090
bonds (distance) P-C4' energy: -78.529
flat angles C4'-P-C4' energy: -65.711
flat angles P-C4'-P energy: -28.835
tors. eta vs tors. theta energy: 7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1219.574018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.574018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.574018 (E_RNA)
where:
Base-Base interactions energy: -736.181
where: short stacking energy: -436.450
Base-Backbone interact. energy: -1.133
local terms energy: -482.259782
where:
bonds (distance) C4'-P energy: -82.534
bonds (distance) P-C4' energy: -100.998
flat angles C4'-P-C4' energy: -100.098
flat angles P-C4'-P energy: -68.441
tors. eta vs tors. theta energy: -130.190
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: 2, replica: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1052.762861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.762861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.762861 (E_RNA)
where:
Base-Base interactions energy: -619.689
where: short stacking energy: -376.527
Base-Backbone interact. energy: 2.675
local terms energy: -435.748937
where:
bonds (distance) C4'-P energy: -87.200
bonds (distance) P-C4' energy: -90.936
flat angles C4'-P-C4' energy: -97.643
flat angles P-C4'-P energy: -60.209
tors. eta vs tors. theta energy: -99.762
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: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1028.752716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.752716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.752716 (E_RNA)
where:
Base-Base interactions energy: -577.031
where: short stacking energy: -359.272
Base-Backbone interact. energy: -0.196
local terms energy: -451.526013
where:
bonds (distance) C4'-P energy: -89.228
bonds (distance) P-C4' energy: -88.455
flat angles C4'-P-C4' energy: -96.427
flat angles P-C4'-P energy: -71.502
tors. eta vs tors. theta energy: -105.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -861.282655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.282655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.282655 (E_RNA)
where:
Base-Base interactions energy: -483.230
where: short stacking energy: -326.070
Base-Backbone interact. energy: -1.138
local terms energy: -376.915534
where:
bonds (distance) C4'-P energy: -57.951
bonds (distance) P-C4' energy: -90.784
flat angles C4'-P-C4' energy: -85.789
flat angles P-C4'-P energy: -62.467
tors. eta vs tors. theta energy: -79.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -621.338349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.338349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.338349 (E_RNA)
where:
Base-Base interactions energy: -285.446
where: short stacking energy: -192.954
Base-Backbone interact. energy: -0.815
local terms energy: -335.077471
where:
bonds (distance) C4'-P energy: -81.978
bonds (distance) P-C4' energy: -77.068
flat angles C4'-P-C4' energy: -86.104
flat angles P-C4'-P energy: -49.686
tors. eta vs tors. theta energy: -40.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -482.806143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.806143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.806143 (E_RNA)
where:
Base-Base interactions energy: -192.889
where: short stacking energy: -170.340
Base-Backbone interact. energy: 0.633
local terms energy: -290.550749
where:
bonds (distance) C4'-P energy: -82.115
bonds (distance) P-C4' energy: -78.154
flat angles C4'-P-C4' energy: -65.761
flat angles P-C4'-P energy: -49.432
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -491.249950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.249950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.249950 (E_RNA)
where:
Base-Base interactions energy: -178.899
where: short stacking energy: -149.293
Base-Backbone interact. energy: 2.233
local terms energy: -314.584294
where:
bonds (distance) C4'-P energy: -75.663
bonds (distance) P-C4' energy: -84.610
flat angles C4'-P-C4' energy: -77.882
flat angles P-C4'-P energy: -50.245
tors. eta vs tors. theta energy: -26.184
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: 9
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -437.629501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.629501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.629501 (E_RNA)
where:
Base-Base interactions energy: -169.555
where: short stacking energy: -124.438
Base-Backbone interact. energy: 0.559
local terms energy: -268.633135
where:
bonds (distance) C4'-P energy: -71.319
bonds (distance) P-C4' energy: -87.849
flat angles C4'-P-C4' energy: -72.683
flat angles P-C4'-P energy: -41.358
tors. eta vs tors. theta energy: 4.576
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: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -395.067947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.067947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.067947 (E_RNA)
where:
Base-Base interactions energy: -146.659
where: short stacking energy: -110.960
Base-Backbone interact. energy: 0.419
local terms energy: -248.827794
where:
bonds (distance) C4'-P energy: -75.775
bonds (distance) P-C4' energy: -76.558
flat angles C4'-P-C4' energy: -56.100
flat angles P-C4'-P energy: -49.713
tors. eta vs tors. theta energy: 9.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -384.210915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.210915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.210915 (E_RNA)
where:
Base-Base interactions energy: -110.841
where: short stacking energy: -110.042
Base-Backbone interact. energy: -1.913
local terms energy: -271.456381
where:
bonds (distance) C4'-P energy: -78.847
bonds (distance) P-C4' energy: -91.512
flat angles C4'-P-C4' energy: -65.099
flat angles P-C4'-P energy: -46.604
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: 1, replica: 6
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1263.111932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.111932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.111932 (E_RNA)
where:
Base-Base interactions energy: -770.258
where: short stacking energy: -451.788
Base-Backbone interact. energy: -1.540
local terms energy: -491.313630
where:
bonds (distance) C4'-P energy: -99.928
bonds (distance) P-C4' energy: -97.445
flat angles C4'-P-C4' energy: -100.330
flat angles P-C4'-P energy: -61.097
tors. eta vs tors. theta energy: -132.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1069.969546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.969546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.969546 (E_RNA)
where:
Base-Base interactions energy: -626.067
where: short stacking energy: -374.418
Base-Backbone interact. energy: -0.553
local terms energy: -443.348970
where:
bonds (distance) C4'-P energy: -87.417
bonds (distance) P-C4' energy: -85.286
flat angles C4'-P-C4' energy: -104.978
flat angles P-C4'-P energy: -65.909
tors. eta vs tors. theta energy: -99.759
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: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1044.259926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.259926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.259926 (E_RNA)
where:
Base-Base interactions energy: -594.673
where: short stacking energy: -381.281
Base-Backbone interact. energy: 0.315
local terms energy: -449.901997
where:
bonds (distance) C4'-P energy: -87.799
bonds (distance) P-C4' energy: -92.615
flat angles C4'-P-C4' energy: -97.064
flat angles P-C4'-P energy: -65.926
tors. eta vs tors. theta energy: -106.499
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: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -816.880554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.880554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.880554 (E_RNA)
where:
Base-Base interactions energy: -430.559
where: short stacking energy: -248.290
Base-Backbone interact. energy: 0.208
local terms energy: -386.530127
where:
bonds (distance) C4'-P energy: -100.473
bonds (distance) P-C4' energy: -101.521
flat angles C4'-P-C4' energy: -80.360
flat angles P-C4'-P energy: -49.231
tors. eta vs tors. theta energy: -54.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -637.369053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.369053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.369053 (E_RNA)
where:
Base-Base interactions energy: -304.808
where: short stacking energy: -208.736
Base-Backbone interact. energy: -0.601
local terms energy: -331.959365
where:
bonds (distance) C4'-P energy: -79.433
bonds (distance) P-C4' energy: -89.644
flat angles C4'-P-C4' energy: -70.125
flat angles P-C4'-P energy: -54.399
tors. eta vs tors. theta energy: -38.358
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: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -490.561499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.561499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.561499 (E_RNA)
where:
Base-Base interactions energy: -197.982
where: short stacking energy: -162.325
Base-Backbone interact. energy: -0.653
local terms energy: -291.926625
where:
bonds (distance) C4'-P energy: -84.477
bonds (distance) P-C4' energy: -72.638
flat angles C4'-P-C4' energy: -62.484
flat angles P-C4'-P energy: -60.226
tors. eta vs tors. theta energy: -12.101
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: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -448.875018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.875018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.875018 (E_RNA)
where:
Base-Base interactions energy: -169.250
where: short stacking energy: -136.642
Base-Backbone interact. energy: -2.084
local terms energy: -277.540794
where:
bonds (distance) C4'-P energy: -88.400
bonds (distance) P-C4' energy: -68.506
flat angles C4'-P-C4' energy: -60.125
flat angles P-C4'-P energy: -45.352
tors. eta vs tors. theta energy: -15.158
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: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -407.692082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.692082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.692082 (E_RNA)
where:
Base-Base interactions energy: -123.444
where: short stacking energy: -115.700
Base-Backbone interact. energy: 1.514
local terms energy: -285.761818
where:
bonds (distance) C4'-P energy: -83.667
bonds (distance) P-C4' energy: -81.839
flat angles C4'-P-C4' energy: -79.405
flat angles P-C4'-P energy: -49.789
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: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -405.180158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.180158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.180158 (E_RNA)
where:
Base-Base interactions energy: -160.468
where: short stacking energy: -135.130
Base-Backbone interact. energy: 1.514
local terms energy: -246.226235
where:
bonds (distance) C4'-P energy: -66.261
bonds (distance) P-C4' energy: -86.490
flat angles C4'-P-C4' energy: -59.956
flat angles P-C4'-P energy: -37.465
tors. eta vs tors. theta energy: 3.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -355.578331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.578331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.578331 (E_RNA)
where:
Base-Base interactions energy: -101.077
where: short stacking energy: -85.493
Base-Backbone interact. energy: 0.280
local terms energy: -254.781322
where:
bonds (distance) C4'-P energy: -73.108
bonds (distance) P-C4' energy: -86.258
flat angles C4'-P-C4' energy: -61.805
flat angles P-C4'-P energy: -52.575
tors. eta vs tors. theta energy: 18.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1267.206709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.206709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.206709 (E_RNA)
where:
Base-Base interactions energy: -774.920
where: short stacking energy: -435.729
Base-Backbone interact. energy: -0.642
local terms energy: -491.644231
where:
bonds (distance) C4'-P energy: -100.574
bonds (distance) P-C4' energy: -90.117
flat angles C4'-P-C4' energy: -99.577
flat angles P-C4'-P energy: -64.103
tors. eta vs tors. theta energy: -137.273
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: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -997.099318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.099318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.099318 (E_RNA)
where:
Base-Base interactions energy: -559.599
where: short stacking energy: -326.958
Base-Backbone interact. energy: -0.719
local terms energy: -436.781301
where:
bonds (distance) C4'-P energy: -83.706
bonds (distance) P-C4' energy: -102.703
flat angles C4'-P-C4' energy: -92.852
flat angles P-C4'-P energy: -65.529
tors. eta vs tors. theta energy: -91.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -983.891741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.891741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.891741 (E_RNA)
where:
Base-Base interactions energy: -552.195
where: short stacking energy: -344.381
Base-Backbone interact. energy: -0.997
local terms energy: -430.699731
where:
bonds (distance) C4'-P energy: -87.049
bonds (distance) P-C4' energy: -92.270
flat angles C4'-P-C4' energy: -93.847
flat angles P-C4'-P energy: -63.500
tors. eta vs tors. theta energy: -94.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -855.386879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.386879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.386879 (E_RNA)
where:
Base-Base interactions energy: -486.747
where: short stacking energy: -280.775
Base-Backbone interact. energy: 1.776
local terms energy: -370.416354
where:
bonds (distance) C4'-P energy: -82.480
bonds (distance) P-C4' energy: -84.485
flat angles C4'-P-C4' energy: -93.840
flat angles P-C4'-P energy: -49.879
tors. eta vs tors. theta energy: -59.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -628.093056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.093056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.093056 (E_RNA)
where:
Base-Base interactions energy: -273.026
where: short stacking energy: -177.099
Base-Backbone interact. energy: -1.093
local terms energy: -353.974504
where:
bonds (distance) C4'-P energy: -88.676
bonds (distance) P-C4' energy: -101.530
flat angles C4'-P-C4' energy: -78.236
flat angles P-C4'-P energy: -59.731
tors. eta vs tors. theta energy: -25.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -486.611633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.611633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.611633 (E_RNA)
where:
Base-Base interactions energy: -179.127
where: short stacking energy: -164.138
Base-Backbone interact. energy: -2.451
local terms energy: -305.033455
where:
bonds (distance) C4'-P energy: -85.278
bonds (distance) P-C4' energy: -85.525
flat angles C4'-P-C4' energy: -82.392
flat angles P-C4'-P energy: -45.677
tors. eta vs tors. theta energy: -6.161
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: 7, replica: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -443.976817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.976817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.976817 (E_RNA)
where:
Base-Base interactions energy: -173.025
where: short stacking energy: -126.470
Base-Backbone interact. energy: 3.880
local terms energy: -274.831650
where:
bonds (distance) C4'-P energy: -99.338
bonds (distance) P-C4' energy: -78.283
flat angles C4'-P-C4' energy: -66.140
flat angles P-C4'-P energy: -34.126
tors. eta vs tors. theta energy: 3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -407.177607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.177607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.177607 (E_RNA)
where:
Base-Base interactions energy: -147.140
where: short stacking energy: -120.520
Base-Backbone interact. energy: 1.237
local terms energy: -261.274837
where:
bonds (distance) C4'-P energy: -78.008
bonds (distance) P-C4' energy: -77.178
flat angles C4'-P-C4' energy: -65.514
flat angles P-C4'-P energy: -41.055
tors. eta vs tors. theta energy: 0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -362.663913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.663913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.663913 (E_RNA)
where:
Base-Base interactions energy: -117.397
where: short stacking energy: -116.566
Base-Backbone interact. energy: -1.881
local terms energy: -243.385666
where:
bonds (distance) C4'-P energy: -75.905
bonds (distance) P-C4' energy: -71.092
flat angles C4'-P-C4' energy: -64.030
flat angles P-C4'-P energy: -41.245
tors. eta vs tors. theta energy: 8.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -352.776526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.776526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.776526 (E_RNA)
where:
Base-Base interactions energy: -101.690
where: short stacking energy: -87.330
Base-Backbone interact. energy: 0.970
local terms energy: -252.056350
where:
bonds (distance) C4'-P energy: -82.238
bonds (distance) P-C4' energy: -83.823
flat angles C4'-P-C4' energy: -78.128
flat angles P-C4'-P energy: -39.635
tors. eta vs tors. theta energy: 31.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1206.140312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.140312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.140312 (E_RNA)
where:
Base-Base interactions energy: -737.924
where: short stacking energy: -427.051
Base-Backbone interact. energy: 0.712
local terms energy: -468.928096
where:
bonds (distance) C4'-P energy: -94.701
bonds (distance) P-C4' energy: -94.851
flat angles C4'-P-C4' energy: -93.143
flat angles P-C4'-P energy: -59.762
tors. eta vs tors. theta energy: -126.472
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: 188
Temperature: 0.950000
Total energy: -1011.576077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.576077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.576077 (E_RNA)
where:
Base-Base interactions energy: -564.907
where: short stacking energy: -349.015
Base-Backbone interact. energy: -2.501
local terms energy: -444.167664
where:
bonds (distance) C4'-P energy: -92.077
bonds (distance) P-C4' energy: -96.401
flat angles C4'-P-C4' energy: -95.314
flat angles P-C4'-P energy: -67.196
tors. eta vs tors. theta energy: -93.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1057.069992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.069992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.069992 (E_RNA)
where:
Base-Base interactions energy: -591.617
where: short stacking energy: -355.285
Base-Backbone interact. energy: -1.658
local terms energy: -463.795011
where:
bonds (distance) C4'-P energy: -97.503
bonds (distance) P-C4' energy: -85.649
flat angles C4'-P-C4' energy: -95.980
flat angles P-C4'-P energy: -73.556
tors. eta vs tors. theta energy: -111.107
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: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -865.447824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.447824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.447824 (E_RNA)
where:
Base-Base interactions energy: -487.986
where: short stacking energy: -280.281
Base-Backbone interact. energy: -1.387
local terms energy: -376.075358
where:
bonds (distance) C4'-P energy: -85.283
bonds (distance) P-C4' energy: -98.563
flat angles C4'-P-C4' energy: -74.816
flat angles P-C4'-P energy: -57.080
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: 5, replica: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -667.122520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.122520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.122520 (E_RNA)
where:
Base-Base interactions energy: -324.777
where: short stacking energy: -202.239
Base-Backbone interact. energy: 1.075
local terms energy: -343.421202
where:
bonds (distance) C4'-P energy: -97.268
bonds (distance) P-C4' energy: -89.284
flat angles C4'-P-C4' energy: -78.827
flat angles P-C4'-P energy: -42.933
tors. eta vs tors. theta energy: -35.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -506.369657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.369657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.369657 (E_RNA)
where:
Base-Base interactions energy: -194.733
where: short stacking energy: -141.118
Base-Backbone interact. energy: 1.607
local terms energy: -313.244194
where:
bonds (distance) C4'-P energy: -75.903
bonds (distance) P-C4' energy: -93.999
flat angles C4'-P-C4' energy: -79.434
flat angles P-C4'-P energy: -51.644
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: 7, replica: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -455.249754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.249754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.249754 (E_RNA)
where:
Base-Base interactions energy: -151.404
where: short stacking energy: -147.062
Base-Backbone interact. energy: -1.462
local terms energy: -302.383679
where:
bonds (distance) C4'-P energy: -91.999
bonds (distance) P-C4' energy: -89.089
flat angles C4'-P-C4' energy: -68.780
flat angles P-C4'-P energy: -42.055
tors. eta vs tors. theta energy: -10.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -407.490671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.490671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.490671 (E_RNA)
where:
Base-Base interactions energy: -131.475
where: short stacking energy: -118.574
Base-Backbone interact. energy: 0.489
local terms energy: -276.505252
where:
bonds (distance) C4'-P energy: -80.563
bonds (distance) P-C4' energy: -80.335
flat angles C4'-P-C4' energy: -83.213
flat angles P-C4'-P energy: -45.387
tors. eta vs tors. theta energy: 12.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -394.186872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.186872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.186872 (E_RNA)
where:
Base-Base interactions energy: -129.657
where: short stacking energy: -119.573
Base-Backbone interact. energy: 2.278
local terms energy: -266.808657
where:
bonds (distance) C4'-P energy: -62.911
bonds (distance) P-C4' energy: -83.222
flat angles C4'-P-C4' energy: -78.375
flat angles P-C4'-P energy: -52.644
tors. eta vs tors. theta energy: 10.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -363.020695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.020695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.020695 (E_RNA)
where:
Base-Base interactions energy: -105.058
where: short stacking energy: -92.676
Base-Backbone interact. energy: -2.654
local terms energy: -255.308317
where:
bonds (distance) C4'-P energy: -70.243
bonds (distance) P-C4' energy: -78.179
flat angles C4'-P-C4' energy: -75.051
flat angles P-C4'-P energy: -39.003
tors. eta vs tors. theta energy: 7.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1217.703260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.703260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.703260 (E_RNA)
where:
Base-Base interactions energy: -735.531
where: short stacking energy: -430.605
Base-Backbone interact. energy: -0.137
local terms energy: -482.036144
where:
bonds (distance) C4'-P energy: -98.974
bonds (distance) P-C4' energy: -108.674
flat angles C4'-P-C4' energy: -86.460
flat angles P-C4'-P energy: -64.876
tors. eta vs tors. theta energy: -123.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1051.439970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.439970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.439970 (E_RNA)
where:
Base-Base interactions energy: -625.880
where: short stacking energy: -363.652
Base-Backbone interact. energy: -1.892
local terms energy: -423.668102
where:
bonds (distance) C4'-P energy: -70.281
bonds (distance) P-C4' energy: -93.623
flat angles C4'-P-C4' energy: -99.593
flat angles P-C4'-P energy: -63.258
tors. eta vs tors. theta energy: -96.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1058.049323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.049323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.049323 (E_RNA)
where:
Base-Base interactions energy: -622.131
where: short stacking energy: -384.766
Base-Backbone interact. energy: -0.681
local terms energy: -435.236991
where:
bonds (distance) C4'-P energy: -79.331
bonds (distance) P-C4' energy: -85.514
flat angles C4'-P-C4' energy: -98.521
flat angles P-C4'-P energy: -59.144
tors. eta vs tors. theta energy: -112.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -821.821061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.821061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.821061 (E_RNA)
where:
Base-Base interactions energy: -457.224
where: short stacking energy: -265.539
Base-Backbone interact. energy: 0.263
local terms energy: -364.860201
where:
bonds (distance) C4'-P energy: -83.058
bonds (distance) P-C4' energy: -86.055
flat angles C4'-P-C4' energy: -95.733
flat angles P-C4'-P energy: -53.082
tors. eta vs tors. theta energy: -46.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -686.141499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.141499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.141499 (E_RNA)
where:
Base-Base interactions energy: -336.588
where: short stacking energy: -258.551
Base-Backbone interact. energy: -1.025
local terms energy: -348.528187
where:
bonds (distance) C4'-P energy: -80.481
bonds (distance) P-C4' energy: -76.370
flat angles C4'-P-C4' energy: -66.540
flat angles P-C4'-P energy: -62.534
tors. eta vs tors. theta energy: -62.602
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: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -476.025219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.025219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.025219 (E_RNA)
where:
Base-Base interactions energy: -163.952
where: short stacking energy: -144.190
Base-Backbone interact. energy: -0.380
local terms energy: -311.693325
where:
bonds (distance) C4'-P energy: -86.079
bonds (distance) P-C4' energy: -80.255
flat angles C4'-P-C4' energy: -91.640
flat angles P-C4'-P energy: -40.978
tors. eta vs tors. theta energy: -12.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -480.496089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.496089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.496089 (E_RNA)
where:
Base-Base interactions energy: -198.881
where: short stacking energy: -144.575
Base-Backbone interact. energy: 0.547
local terms energy: -282.161566
where:
bonds (distance) C4'-P energy: -92.545
bonds (distance) P-C4' energy: -69.786
flat angles C4'-P-C4' energy: -73.801
flat angles P-C4'-P energy: -37.076
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: 8, replica: 5
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -406.312685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.312685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.312685 (E_RNA)
where:
Base-Base interactions energy: -168.065
where: short stacking energy: -142.038
Base-Backbone interact. energy: 1.679
local terms energy: -239.926102
where:
bonds (distance) C4'-P energy: -65.116
bonds (distance) P-C4' energy: -72.860
flat angles C4'-P-C4' energy: -57.507
flat angles P-C4'-P energy: -36.075
tors. eta vs tors. theta energy: -8.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -401.934663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.934663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.934663 (E_RNA)
where:
Base-Base interactions energy: -131.010
where: short stacking energy: -117.170
Base-Backbone interact. energy: -0.915
local terms energy: -270.010424
where:
bonds (distance) C4'-P energy: -90.166
bonds (distance) P-C4' energy: -61.968
flat angles C4'-P-C4' energy: -64.727
flat angles P-C4'-P energy: -44.037
tors. eta vs tors. theta energy: -9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -352.985991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.985991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.985991 (E_RNA)
where:
Base-Base interactions energy: -109.291
where: short stacking energy: -102.268
Base-Backbone interact. energy: 3.001
local terms energy: -246.695446
where:
bonds (distance) C4'-P energy: -63.590
bonds (distance) P-C4' energy: -93.785
flat angles C4'-P-C4' energy: -73.253
flat angles P-C4'-P energy: -30.717
tors. eta vs tors. theta energy: 14.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1223.907265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.907265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.907265 (E_RNA)
where:
Base-Base interactions energy: -742.973
where: short stacking energy: -436.559
Base-Backbone interact. energy: 2.508
local terms energy: -483.442191
where:
bonds (distance) C4'-P energy: -84.130
bonds (distance) P-C4' energy: -100.057
flat angles C4'-P-C4' energy: -104.671
flat angles P-C4'-P energy: -60.886
tors. eta vs tors. theta energy: -133.698
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: 190
Temperature: 0.950000
Total energy: -1083.047553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.047553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.047553 (E_RNA)
where:
Base-Base interactions energy: -639.141
where: short stacking energy: -352.713
Base-Backbone interact. energy: -1.443
local terms energy: -442.463428
where:
bonds (distance) C4'-P energy: -92.344
bonds (distance) P-C4' energy: -90.173
flat angles C4'-P-C4' energy: -85.618
flat angles P-C4'-P energy: -69.885
tors. eta vs tors. theta energy: -104.444
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: 190
Temperature: 1.000000
Total energy: -1039.238674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.238674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.238674 (E_RNA)
where:
Base-Base interactions energy: -591.071
where: short stacking energy: -382.739
Base-Backbone interact. energy: -1.192
local terms energy: -446.974945
where:
bonds (distance) C4'-P energy: -79.576
bonds (distance) P-C4' energy: -89.693
flat angles C4'-P-C4' energy: -98.107
flat angles P-C4'-P energy: -64.443
tors. eta vs tors. theta energy: -115.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -860.425295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.425295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.425295 (E_RNA)
where:
Base-Base interactions energy: -487.117
where: short stacking energy: -288.016
Base-Backbone interact. energy: -1.411
local terms energy: -371.896708
where:
bonds (distance) C4'-P energy: -75.096
bonds (distance) P-C4' energy: -93.259
flat angles C4'-P-C4' energy: -88.517
flat angles P-C4'-P energy: -52.092
tors. eta vs tors. theta energy: -62.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -636.323745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.323745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.323745 (E_RNA)
where:
Base-Base interactions energy: -316.674
where: short stacking energy: -231.664
Base-Backbone interact. energy: -1.742
local terms energy: -317.907645
where:
bonds (distance) C4'-P energy: -74.807
bonds (distance) P-C4' energy: -72.021
flat angles C4'-P-C4' energy: -83.377
flat angles P-C4'-P energy: -43.658
tors. eta vs tors. theta energy: -44.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -492.137240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.137240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.137240 (E_RNA)
where:
Base-Base interactions energy: -174.300
where: short stacking energy: -152.811
Base-Backbone interact. energy: -1.706
local terms energy: -316.131421
where:
bonds (distance) C4'-P energy: -80.956
bonds (distance) P-C4' energy: -83.217
flat angles C4'-P-C4' energy: -90.112
flat angles P-C4'-P energy: -42.115
tors. eta vs tors. theta energy: -19.732
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: 1
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -471.528311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.528311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.528311 (E_RNA)
where:
Base-Base interactions energy: -185.661
where: short stacking energy: -145.604
Base-Backbone interact. energy: -1.244
local terms energy: -284.623143
where:
bonds (distance) C4'-P energy: -79.887
bonds (distance) P-C4' energy: -86.435
flat angles C4'-P-C4' energy: -63.404
flat angles P-C4'-P energy: -44.109
tors. eta vs tors. theta energy: -10.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -421.825883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.825883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.825883 (E_RNA)
where:
Base-Base interactions energy: -151.862
where: short stacking energy: -149.401
Base-Backbone interact. energy: -0.828
local terms energy: -269.136527
where:
bonds (distance) C4'-P energy: -63.971
bonds (distance) P-C4' energy: -83.020
flat angles C4'-P-C4' energy: -59.685
flat angles P-C4'-P energy: -35.398
tors. eta vs tors. theta energy: -27.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -381.479819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.479819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.479819 (E_RNA)
where:
Base-Base interactions energy: -144.370
where: short stacking energy: -115.618
Base-Backbone interact. energy: 1.232
local terms energy: -238.342468
where:
bonds (distance) C4'-P energy: -84.333
bonds (distance) P-C4' energy: -71.267
flat angles C4'-P-C4' energy: -53.626
flat angles P-C4'-P energy: -40.189
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: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -374.975633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.975633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.975633 (E_RNA)
where:
Base-Base interactions energy: -124.241
where: short stacking energy: -115.897
Base-Backbone interact. energy: -0.748
local terms energy: -249.986267
where:
bonds (distance) C4'-P energy: -66.873
bonds (distance) P-C4' energy: -73.889
flat angles C4'-P-C4' energy: -63.434
flat angles P-C4'-P energy: -48.759
tors. eta vs tors. theta energy: 2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1248.606717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.606717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.606717 (E_RNA)
where:
Base-Base interactions energy: -753.442
where: short stacking energy: -436.392
Base-Backbone interact. energy: 1.012
local terms energy: -496.177351
where:
bonds (distance) C4'-P energy: -87.566
bonds (distance) P-C4' energy: -89.548
flat angles C4'-P-C4' energy: -107.512
flat angles P-C4'-P energy: -73.526
tors. eta vs tors. theta energy: -138.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1098.708368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.708368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.708368 (E_RNA)
where:
Base-Base interactions energy: -638.752
where: short stacking energy: -386.902
Base-Backbone interact. energy: 0.211
local terms energy: -460.167237
where:
bonds (distance) C4'-P energy: -83.736
bonds (distance) P-C4' energy: -93.051
flat angles C4'-P-C4' energy: -101.016
flat angles P-C4'-P energy: -70.400
tors. eta vs tors. theta energy: -111.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1043.132144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.132144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.132144 (E_RNA)
where:
Base-Base interactions energy: -588.438
where: short stacking energy: -380.214
Base-Backbone interact. energy: 0.731
local terms energy: -455.425787
where:
bonds (distance) C4'-P energy: -94.249
bonds (distance) P-C4' energy: -90.384
flat angles C4'-P-C4' energy: -89.889
flat angles P-C4'-P energy: -67.159
tors. eta vs tors. theta energy: -113.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -837.936058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.936058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.936058 (E_RNA)
where:
Base-Base interactions energy: -472.270
where: short stacking energy: -280.784
Base-Backbone interact. energy: -0.287
local terms energy: -365.379368
where:
bonds (distance) C4'-P energy: -78.749
bonds (distance) P-C4' energy: -79.731
flat angles C4'-P-C4' energy: -85.593
flat angles P-C4'-P energy: -51.912
tors. eta vs tors. theta energy: -69.394
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: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -634.105703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.105703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.105703 (E_RNA)
where:
Base-Base interactions energy: -270.719
where: short stacking energy: -201.279
Base-Backbone interact. energy: -0.939
local terms energy: -362.447664
where:
bonds (distance) C4'-P energy: -80.759
bonds (distance) P-C4' energy: -98.197
flat angles C4'-P-C4' energy: -82.848
flat angles P-C4'-P energy: -59.887
tors. eta vs tors. theta energy: -40.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -508.203868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.203868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.203868 (E_RNA)
where:
Base-Base interactions energy: -218.024
where: short stacking energy: -184.209
Base-Backbone interact. energy: -1.376
local terms energy: -288.803451
where:
bonds (distance) C4'-P energy: -72.771
bonds (distance) P-C4' energy: -73.578
flat angles C4'-P-C4' energy: -75.592
flat angles P-C4'-P energy: -47.764
tors. eta vs tors. theta energy: -19.099
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: 7, replica: 1
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -469.685990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.685990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.685990 (E_RNA)
where:
Base-Base interactions energy: -171.541
where: short stacking energy: -132.651
Base-Backbone interact. energy: -1.125
local terms energy: -297.019778
where:
bonds (distance) C4'-P energy: -74.300
bonds (distance) P-C4' energy: -91.505
flat angles C4'-P-C4' energy: -74.509
flat angles P-C4'-P energy: -51.029
tors. eta vs tors. theta energy: -5.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -417.121947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.121947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.121947 (E_RNA)
where:
Base-Base interactions energy: -156.116
where: short stacking energy: -139.913
Base-Backbone interact. energy: -1.825
local terms energy: -259.180992
where:
bonds (distance) C4'-P energy: -57.795
bonds (distance) P-C4' energy: -80.293
flat angles C4'-P-C4' energy: -80.452
flat angles P-C4'-P energy: -31.971
tors. eta vs tors. theta energy: -8.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -380.253766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.253766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.253766 (E_RNA)
where:
Base-Base interactions energy: -140.720
where: short stacking energy: -110.284
Base-Backbone interact. energy: 4.587
local terms energy: -244.121433
where:
bonds (distance) C4'-P energy: -75.945
bonds (distance) P-C4' energy: -84.138
flat angles C4'-P-C4' energy: -64.718
flat angles P-C4'-P energy: -28.524
tors. eta vs tors. theta energy: 9.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -344.451474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.451474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.451474 (E_RNA)
where:
Base-Base interactions energy: -116.861
where: short stacking energy: -102.570
Base-Backbone interact. energy: -1.930
local terms energy: -225.660207
where:
bonds (distance) C4'-P energy: -68.518
bonds (distance) P-C4' energy: -72.055
flat angles C4'-P-C4' energy: -66.030
flat angles P-C4'-P energy: -31.146
tors. eta vs tors. theta energy: 12.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1253.098112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.098112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.098112 (E_RNA)
where:
Base-Base interactions energy: -771.175
where: short stacking energy: -434.577
Base-Backbone interact. energy: 0.409
local terms energy: -482.332103
where:
bonds (distance) C4'-P energy: -102.922
bonds (distance) P-C4' energy: -95.210
flat angles C4'-P-C4' energy: -99.465
flat angles P-C4'-P energy: -56.619
tors. eta vs tors. theta energy: -128.117
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: 192
Temperature: 0.950000
Total energy: -1096.180215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.180215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.180215 (E_RNA)
where:
Base-Base interactions energy: -642.044
where: short stacking energy: -374.646
Base-Backbone interact. energy: -0.436
local terms energy: -453.700947
where:
bonds (distance) C4'-P energy: -84.555
bonds (distance) P-C4' energy: -93.894
flat angles C4'-P-C4' energy: -102.843
flat angles P-C4'-P energy: -65.413
tors. eta vs tors. theta energy: -106.995
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: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1056.067930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.067930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.067930 (E_RNA)
where:
Base-Base interactions energy: -593.017
where: short stacking energy: -380.665
Base-Backbone interact. energy: -0.780
local terms energy: -462.270257
where:
bonds (distance) C4'-P energy: -92.763
bonds (distance) P-C4' energy: -92.227
flat angles C4'-P-C4' energy: -99.500
flat angles P-C4'-P energy: -65.136
tors. eta vs tors. theta energy: -112.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -861.029627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.029627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.029627 (E_RNA)
where:
Base-Base interactions energy: -477.751
where: short stacking energy: -297.844
Base-Backbone interact. energy: -0.905
local terms energy: -382.373470
where:
bonds (distance) C4'-P energy: -80.868
bonds (distance) P-C4' energy: -82.495
flat angles C4'-P-C4' energy: -83.518
flat angles P-C4'-P energy: -62.707
tors. eta vs tors. theta energy: -72.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -668.887036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.887036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.887036 (E_RNA)
where:
Base-Base interactions energy: -347.155
where: short stacking energy: -236.783
Base-Backbone interact. energy: 1.233
local terms energy: -322.964335
where:
bonds (distance) C4'-P energy: -73.754
bonds (distance) P-C4' energy: -76.979
flat angles C4'-P-C4' energy: -83.546
flat angles P-C4'-P energy: -51.541
tors. eta vs tors. theta energy: -37.144
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: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -516.125490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.125490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.125490 (E_RNA)
where:
Base-Base interactions energy: -217.506
where: short stacking energy: -177.522
Base-Backbone interact. energy: -0.084
local terms energy: -298.535072
where:
bonds (distance) C4'-P energy: -75.364
bonds (distance) P-C4' energy: -83.556
flat angles C4'-P-C4' energy: -77.893
flat angles P-C4'-P energy: -44.955
tors. eta vs tors. theta energy: -16.768
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: 7, replica: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -470.412617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.412617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.412617 (E_RNA)
where:
Base-Base interactions energy: -178.406
where: short stacking energy: -154.900
Base-Backbone interact. energy: -0.844
local terms energy: -291.163230
where:
bonds (distance) C4'-P energy: -80.657
bonds (distance) P-C4' energy: -71.162
flat angles C4'-P-C4' energy: -86.718
flat angles P-C4'-P energy: -33.352
tors. eta vs tors. theta energy: -19.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -414.403409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.403409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.403409 (E_RNA)
where:
Base-Base interactions energy: -150.262
where: short stacking energy: -117.531
Base-Backbone interact. energy: 0.051
local terms energy: -264.192749
where:
bonds (distance) C4'-P energy: -68.527
bonds (distance) P-C4' energy: -81.146
flat angles C4'-P-C4' energy: -75.984
flat angles P-C4'-P energy: -38.018
tors. eta vs tors. theta energy: -0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -395.744044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.744044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.744044 (E_RNA)
where:
Base-Base interactions energy: -131.603
where: short stacking energy: -107.326
Base-Backbone interact. energy: 1.450
local terms energy: -265.591426
where:
bonds (distance) C4'-P energy: -67.489
bonds (distance) P-C4' energy: -72.474
flat angles C4'-P-C4' energy: -68.664
flat angles P-C4'-P energy: -42.414
tors. eta vs tors. theta energy: -14.551
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: 10, replica: 5
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -346.242220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.242220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.242220 (E_RNA)
where:
Base-Base interactions energy: -101.942
where: short stacking energy: -89.996
Base-Backbone interact. energy: 3.733
local terms energy: -248.033266
where:
bonds (distance) C4'-P energy: -71.099
bonds (distance) P-C4' energy: -84.387
flat angles C4'-P-C4' energy: -67.928
flat angles P-C4'-P energy: -42.641
tors. eta vs tors. theta energy: 18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1260.603422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.603422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.603422 (E_RNA)
where:
Base-Base interactions energy: -764.059
where: short stacking energy: -431.687
Base-Backbone interact. energy: -0.801
local terms energy: -495.743481
where:
bonds (distance) C4'-P energy: -89.604
bonds (distance) P-C4' energy: -90.849
flat angles C4'-P-C4' energy: -110.805
flat angles P-C4'-P energy: -68.022
tors. eta vs tors. theta energy: -136.463
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: 193
Temperature: 0.950000
Total energy: -1126.196788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.196788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.196788 (E_RNA)
where:
Base-Base interactions energy: -703.254
where: short stacking energy: -394.910
Base-Backbone interact. energy: -2.143
local terms energy: -420.799118
where:
bonds (distance) C4'-P energy: -85.872
bonds (distance) P-C4' energy: -85.057
flat angles C4'-P-C4' energy: -89.948
flat angles P-C4'-P energy: -58.776
tors. eta vs tors. theta energy: -101.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1020.746635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.746635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.746635 (E_RNA)
where:
Base-Base interactions energy: -586.896
where: short stacking energy: -388.737
Base-Backbone interact. energy: 0.567
local terms energy: -434.417634
where:
bonds (distance) C4'-P energy: -84.896
bonds (distance) P-C4' energy: -89.761
flat angles C4'-P-C4' energy: -97.755
flat angles P-C4'-P energy: -51.926
tors. eta vs tors. theta energy: -110.079
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: 7
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -872.873588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.873588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.873588 (E_RNA)
where:
Base-Base interactions energy: -489.966
where: short stacking energy: -298.656
Base-Backbone interact. energy: 0.141
local terms energy: -383.048123
where:
bonds (distance) C4'-P energy: -80.162
bonds (distance) P-C4' energy: -89.667
flat angles C4'-P-C4' energy: -91.262
flat angles P-C4'-P energy: -47.530
tors. eta vs tors. theta energy: -74.426
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: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -652.587447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.587447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.587447 (E_RNA)
where:
Base-Base interactions energy: -307.186
where: short stacking energy: -230.535
Base-Backbone interact. energy: 0.511
local terms energy: -345.911729
where:
bonds (distance) C4'-P energy: -80.354
bonds (distance) P-C4' energy: -82.705
flat angles C4'-P-C4' energy: -84.783
flat angles P-C4'-P energy: -56.451
tors. eta vs tors. theta energy: -41.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -552.904030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.904030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.904030 (E_RNA)
where:
Base-Base interactions energy: -220.803
where: short stacking energy: -178.754
Base-Backbone interact. energy: -1.468
local terms energy: -330.632293
where:
bonds (distance) C4'-P energy: -93.772
bonds (distance) P-C4' energy: -80.121
flat angles C4'-P-C4' energy: -77.054
flat angles P-C4'-P energy: -53.068
tors. eta vs tors. theta energy: -26.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -542.024397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.024397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.024397 (E_RNA)
where:
Base-Base interactions energy: -235.160
where: short stacking energy: -185.958
Base-Backbone interact. energy: 0.074
local terms energy: -306.939228
where:
bonds (distance) C4'-P energy: -79.185
bonds (distance) P-C4' energy: -85.106
flat angles C4'-P-C4' energy: -80.785
flat angles P-C4'-P energy: -48.048
tors. eta vs tors. theta energy: -13.815
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: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -444.433052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.433052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.433052 (E_RNA)
where:
Base-Base interactions energy: -133.002
where: short stacking energy: -126.166
Base-Backbone interact. energy: 1.820
local terms energy: -313.251192
where:
bonds (distance) C4'-P energy: -85.244
bonds (distance) P-C4' energy: -95.371
flat angles C4'-P-C4' energy: -81.195
flat angles P-C4'-P energy: -44.072
tors. eta vs tors. theta energy: -7.369
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: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -395.513057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.513057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.513057 (E_RNA)
where:
Base-Base interactions energy: -142.868
where: short stacking energy: -106.539
Base-Backbone interact. energy: 0.504
local terms energy: -253.149034
where:
bonds (distance) C4'-P energy: -74.950
bonds (distance) P-C4' energy: -78.104
flat angles C4'-P-C4' energy: -79.053
flat angles P-C4'-P energy: -41.960
tors. eta vs tors. theta energy: 20.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -351.743275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.743275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.743275 (E_RNA)
where:
Base-Base interactions energy: -101.579
where: short stacking energy: -92.106
Base-Backbone interact. energy: 1.404
local terms energy: -251.567956
where:
bonds (distance) C4'-P energy: -64.979
bonds (distance) P-C4' energy: -75.432
flat angles C4'-P-C4' energy: -64.931
flat angles P-C4'-P energy: -57.436
tors. eta vs tors. theta energy: 11.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1287.215000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.215000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.215000 (E_RNA)
where:
Base-Base interactions energy: -774.397
where: short stacking energy: -442.569
Base-Backbone interact. energy: 0.199
local terms energy: -513.016369
where:
bonds (distance) C4'-P energy: -96.258
bonds (distance) P-C4' energy: -98.157
flat angles C4'-P-C4' energy: -105.720
flat angles P-C4'-P energy: -70.829
tors. eta vs tors. theta energy: -142.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1121.046329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.046329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.046329 (E_RNA)
where:
Base-Base interactions energy: -647.715
where: short stacking energy: -359.030
Base-Backbone interact. energy: -2.320
local terms energy: -471.010961
where:
bonds (distance) C4'-P energy: -90.107
bonds (distance) P-C4' energy: -98.093
flat angles C4'-P-C4' energy: -103.793
flat angles P-C4'-P energy: -68.610
tors. eta vs tors. theta energy: -110.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1040.665528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.665528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.665528 (E_RNA)
where:
Base-Base interactions energy: -589.647
where: short stacking energy: -387.934
Base-Backbone interact. energy: -1.156
local terms energy: -449.862387
where:
bonds (distance) C4'-P energy: -79.504
bonds (distance) P-C4' energy: -87.229
flat angles C4'-P-C4' energy: -103.294
flat angles P-C4'-P energy: -63.530
tors. eta vs tors. theta energy: -116.305
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: 7
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -909.087189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.087189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.087189 (E_RNA)
where:
Base-Base interactions energy: -480.382
where: short stacking energy: -304.630
Base-Backbone interact. energy: -0.226
local terms energy: -428.479029
where:
bonds (distance) C4'-P energy: -91.421
bonds (distance) P-C4' energy: -87.810
flat angles C4'-P-C4' energy: -101.657
flat angles P-C4'-P energy: -59.548
tors. eta vs tors. theta energy: -88.044
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: 5, replica: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -632.128173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.128173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.128173 (E_RNA)
where:
Base-Base interactions energy: -285.676
where: short stacking energy: -213.911
Base-Backbone interact. energy: 2.574
local terms energy: -349.025516
where:
bonds (distance) C4'-P energy: -89.864
bonds (distance) P-C4' energy: -89.943
flat angles C4'-P-C4' energy: -77.333
flat angles P-C4'-P energy: -59.361
tors. eta vs tors. theta energy: -32.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -523.002356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.002356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.002356 (E_RNA)
where:
Base-Base interactions energy: -213.773
where: short stacking energy: -163.541
Base-Backbone interact. energy: -0.793
local terms energy: -308.435706
where:
bonds (distance) C4'-P energy: -81.743
bonds (distance) P-C4' energy: -82.456
flat angles C4'-P-C4' energy: -85.955
flat angles P-C4'-P energy: -49.278
tors. eta vs tors. theta energy: -9.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -431.143720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.143720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.143720 (E_RNA)
where:
Base-Base interactions energy: -142.935
where: short stacking energy: -132.166
Base-Backbone interact. energy: 0.323
local terms energy: -288.532220
where:
bonds (distance) C4'-P energy: -90.129
bonds (distance) P-C4' energy: -89.243
flat angles C4'-P-C4' energy: -63.938
flat angles P-C4'-P energy: -46.601
tors. eta vs tors. theta energy: 1.379
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: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -419.838595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.838595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.838595 (E_RNA)
where:
Base-Base interactions energy: -153.571
where: short stacking energy: -130.736
Base-Backbone interact. energy: 5.692
local terms energy: -271.959981
where:
bonds (distance) C4'-P energy: -87.908
bonds (distance) P-C4' energy: -77.789
flat angles C4'-P-C4' energy: -68.137
flat angles P-C4'-P energy: -37.125
tors. eta vs tors. theta energy: -1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -385.821512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.821512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.821512 (E_RNA)
where:
Base-Base interactions energy: -110.725
where: short stacking energy: -106.295
Base-Backbone interact. energy: -0.895
local terms energy: -274.201624
where:
bonds (distance) C4'-P energy: -76.889
bonds (distance) P-C4' energy: -94.749
flat angles C4'-P-C4' energy: -74.218
flat angles P-C4'-P energy: -35.221
tors. eta vs tors. theta energy: 6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -363.358485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.358485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.358485 (E_RNA)
where:
Base-Base interactions energy: -103.897
where: short stacking energy: -91.974
Base-Backbone interact. energy: 2.203
local terms energy: -261.664043
where:
bonds (distance) C4'-P energy: -88.440
bonds (distance) P-C4' energy: -71.151
flat angles C4'-P-C4' energy: -58.730
flat angles P-C4'-P energy: -38.087
tors. eta vs tors. theta energy: -5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1294.535495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.535495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.535495 (E_RNA)
where:
Base-Base interactions energy: -788.479
where: short stacking energy: -451.412
Base-Backbone interact. energy: -0.257
local terms energy: -505.798968
where:
bonds (distance) C4'-P energy: -97.864
bonds (distance) P-C4' energy: -91.018
flat angles C4'-P-C4' energy: -111.685
flat angles P-C4'-P energy: -64.177
tors. eta vs tors. theta energy: -141.055
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: 195
Temperature: 0.950000
Total energy: -1110.834864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.834864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.834864 (E_RNA)
where:
Base-Base interactions energy: -686.145
where: short stacking energy: -400.307
Base-Backbone interact. energy: -1.053
local terms energy: -423.637272
where:
bonds (distance) C4'-P energy: -90.331
bonds (distance) P-C4' energy: -76.256
flat angles C4'-P-C4' energy: -92.856
flat angles P-C4'-P energy: -60.501
tors. eta vs tors. theta energy: -103.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1004.692214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.692214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.692214 (E_RNA)
where:
Base-Base interactions energy: -562.627
where: short stacking energy: -347.959
Base-Backbone interact. energy: -0.778
local terms energy: -441.288002
where:
bonds (distance) C4'-P energy: -95.284
bonds (distance) P-C4' energy: -95.860
flat angles C4'-P-C4' energy: -93.929
flat angles P-C4'-P energy: -61.414
tors. eta vs tors. theta energy: -94.802
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: 195
Temperature: 1.050000
Total energy: -866.308843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.308843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.308843 (E_RNA)
where:
Base-Base interactions energy: -480.308
where: short stacking energy: -317.334
Base-Backbone interact. energy: -0.588
local terms energy: -385.412310
where:
bonds (distance) C4'-P energy: -83.876
bonds (distance) P-C4' energy: -85.965
flat angles C4'-P-C4' energy: -89.078
flat angles P-C4'-P energy: -45.444
tors. eta vs tors. theta energy: -81.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -626.651988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.651988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.651988 (E_RNA)
where:
Base-Base interactions energy: -283.223
where: short stacking energy: -196.967
Base-Backbone interact. energy: -0.914
local terms energy: -342.515268
where:
bonds (distance) C4'-P energy: -78.967
bonds (distance) P-C4' energy: -89.463
flat angles C4'-P-C4' energy: -92.132
flat angles P-C4'-P energy: -49.926
tors. eta vs tors. theta energy: -32.028
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: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -547.808900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.808900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.808900 (E_RNA)
where:
Base-Base interactions energy: -237.963
where: short stacking energy: -174.190
Base-Backbone interact. energy: 3.429
local terms energy: -313.275066
where:
bonds (distance) C4'-P energy: -77.668
bonds (distance) P-C4' energy: -89.097
flat angles C4'-P-C4' energy: -72.292
flat angles P-C4'-P energy: -54.843
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -446.120276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.120276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.120276 (E_RNA)
where:
Base-Base interactions energy: -165.936
where: short stacking energy: -135.971
Base-Backbone interact. energy: 2.933
local terms energy: -283.117614
where:
bonds (distance) C4'-P energy: -77.075
bonds (distance) P-C4' energy: -75.373
flat angles C4'-P-C4' energy: -85.613
flat angles P-C4'-P energy: -32.827
tors. eta vs tors. theta energy: -12.229
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: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -419.163163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.163163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.163163 (E_RNA)
where:
Base-Base interactions energy: -162.338
where: short stacking energy: -145.163
Base-Backbone interact. energy: 1.282
local terms energy: -258.107390
where:
bonds (distance) C4'-P energy: -80.635
bonds (distance) P-C4' energy: -79.358
flat angles C4'-P-C4' energy: -66.366
flat angles P-C4'-P energy: -26.181
tors. eta vs tors. theta energy: -5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -395.644843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.644843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.644843 (E_RNA)
where:
Base-Base interactions energy: -125.547
where: short stacking energy: -111.412
Base-Backbone interact. energy: 4.012
local terms energy: -274.109392
where:
bonds (distance) C4'-P energy: -75.092
bonds (distance) P-C4' energy: -92.386
flat angles C4'-P-C4' energy: -66.332
flat angles P-C4'-P energy: -39.726
tors. eta vs tors. theta energy: -0.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -375.943764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.943764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.943764 (E_RNA)
where:
Base-Base interactions energy: -116.149
where: short stacking energy: -95.819
Base-Backbone interact. energy: 3.196
local terms energy: -262.991119
where:
bonds (distance) C4'-P energy: -75.714
bonds (distance) P-C4' energy: -86.799
flat angles C4'-P-C4' energy: -60.941
flat angles P-C4'-P energy: -46.288
tors. eta vs tors. theta energy: 6.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1258.118438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.118438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.118438 (E_RNA)
where:
Base-Base interactions energy: -758.102
where: short stacking energy: -451.292
Base-Backbone interact. energy: -1.056
local terms energy: -498.961039
where:
bonds (distance) C4'-P energy: -92.706
bonds (distance) P-C4' energy: -102.539
flat angles C4'-P-C4' energy: -105.378
flat angles P-C4'-P energy: -62.506
tors. eta vs tors. theta energy: -135.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1099.273797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.273797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.273797 (E_RNA)
where:
Base-Base interactions energy: -658.419
where: short stacking energy: -379.863
Base-Backbone interact. energy: -2.990
local terms energy: -437.865051
where:
bonds (distance) C4'-P energy: -83.119
bonds (distance) P-C4' energy: -94.723
flat angles C4'-P-C4' energy: -89.947
flat angles P-C4'-P energy: -62.258
tors. eta vs tors. theta energy: -107.819
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: 196
Temperature: 1.000000
Total energy: -1057.765366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.765366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.765366 (E_RNA)
where:
Base-Base interactions energy: -628.518
where: short stacking energy: -380.167
Base-Backbone interact. energy: -1.593
local terms energy: -427.654086
where:
bonds (distance) C4'-P energy: -84.582
bonds (distance) P-C4' energy: -99.802
flat angles C4'-P-C4' energy: -91.570
flat angles P-C4'-P energy: -51.893
tors. eta vs tors. theta energy: -99.807
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: 7
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -884.673988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.673988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.673988 (E_RNA)
where:
Base-Base interactions energy: -476.766
where: short stacking energy: -285.781
Base-Backbone interact. energy: 0.304
local terms energy: -408.211310
where:
bonds (distance) C4'-P energy: -88.461
bonds (distance) P-C4' energy: -93.855
flat angles C4'-P-C4' energy: -92.758
flat angles P-C4'-P energy: -63.316
tors. eta vs tors. theta energy: -69.821
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: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -649.726952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.726952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.726952 (E_RNA)
where:
Base-Base interactions energy: -316.537
where: short stacking energy: -224.397
Base-Backbone interact. energy: -0.538
local terms energy: -332.652078
where:
bonds (distance) C4'-P energy: -73.161
bonds (distance) P-C4' energy: -87.053
flat angles C4'-P-C4' energy: -84.939
flat angles P-C4'-P energy: -54.167
tors. eta vs tors. theta energy: -33.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -533.587657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.587657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.587657 (E_RNA)
where:
Base-Base interactions energy: -250.580
where: short stacking energy: -169.428
Base-Backbone interact. energy: 1.704
local terms energy: -284.712474
where:
bonds (distance) C4'-P energy: -71.749
bonds (distance) P-C4' energy: -86.002
flat angles C4'-P-C4' energy: -80.019
flat angles P-C4'-P energy: -37.449
tors. eta vs tors. theta energy: -9.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -462.174385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.174385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.174385 (E_RNA)
where:
Base-Base interactions energy: -174.432
where: short stacking energy: -156.920
Base-Backbone interact. energy: -1.935
local terms energy: -285.807237
where:
bonds (distance) C4'-P energy: -65.414
bonds (distance) P-C4' energy: -83.002
flat angles C4'-P-C4' energy: -74.977
flat angles P-C4'-P energy: -43.323
tors. eta vs tors. theta energy: -19.090
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: 8, replica: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -426.054195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.054195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.054195 (E_RNA)
where:
Base-Base interactions energy: -133.698
where: short stacking energy: -127.143
Base-Backbone interact. energy: -1.067
local terms energy: -291.289038
where:
bonds (distance) C4'-P energy: -86.286
bonds (distance) P-C4' energy: -77.845
flat angles C4'-P-C4' energy: -69.190
flat angles P-C4'-P energy: -52.753
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -391.784304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.784304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.784304 (E_RNA)
where:
Base-Base interactions energy: -112.258
where: short stacking energy: -104.152
Base-Backbone interact. energy: 3.285
local terms energy: -282.811389
where:
bonds (distance) C4'-P energy: -84.899
bonds (distance) P-C4' energy: -100.286
flat angles C4'-P-C4' energy: -66.276
flat angles P-C4'-P energy: -28.104
tors. eta vs tors. theta energy: -3.247
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: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -352.486943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.486943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.486943 (E_RNA)
where:
Base-Base interactions energy: -101.958
where: short stacking energy: -95.143
Base-Backbone interact. energy: -0.409
local terms energy: -250.119962
where:
bonds (distance) C4'-P energy: -62.140
bonds (distance) P-C4' energy: -82.639
flat angles C4'-P-C4' energy: -68.972
flat angles P-C4'-P energy: -43.739
tors. eta vs tors. theta energy: 7.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1262.075658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.075658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.075658 (E_RNA)
where:
Base-Base interactions energy: -766.050
where: short stacking energy: -455.215
Base-Backbone interact. energy: 1.660
local terms energy: -497.685636
where:
bonds (distance) C4'-P energy: -86.914
bonds (distance) P-C4' energy: -94.438
flat angles C4'-P-C4' energy: -108.377
flat angles P-C4'-P energy: -71.773
tors. eta vs tors. theta energy: -136.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1092.497073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.497073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.497073 (E_RNA)
where:
Base-Base interactions energy: -653.563
where: short stacking energy: -366.876
Base-Backbone interact. energy: -1.839
local terms energy: -437.094614
where:
bonds (distance) C4'-P energy: -80.620
bonds (distance) P-C4' energy: -97.130
flat angles C4'-P-C4' energy: -99.940
flat angles P-C4'-P energy: -65.620
tors. eta vs tors. theta energy: -93.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1030.225568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.225568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.225568 (E_RNA)
where:
Base-Base interactions energy: -571.891
where: short stacking energy: -357.451
Base-Backbone interact. energy: 1.914
local terms energy: -460.249342
where:
bonds (distance) C4'-P energy: -89.231
bonds (distance) P-C4' energy: -92.178
flat angles C4'-P-C4' energy: -104.752
flat angles P-C4'-P energy: -68.599
tors. eta vs tors. theta energy: -105.489
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: 4, replica: 7
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -872.376526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.376526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.376526 (E_RNA)
where:
Base-Base interactions energy: -478.393
where: short stacking energy: -287.490
Base-Backbone interact. energy: 0.653
local terms energy: -394.635887
where:
bonds (distance) C4'-P energy: -82.776
bonds (distance) P-C4' energy: -100.264
flat angles C4'-P-C4' energy: -87.654
flat angles P-C4'-P energy: -55.558
tors. eta vs tors. theta energy: -68.384
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: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -632.335018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.335018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.335018 (E_RNA)
where:
Base-Base interactions energy: -282.058
where: short stacking energy: -217.783
Base-Backbone interact. energy: 1.490
local terms energy: -351.766479
where:
bonds (distance) C4'-P energy: -82.630
bonds (distance) P-C4' energy: -91.829
flat angles C4'-P-C4' energy: -89.004
flat angles P-C4'-P energy: -50.956
tors. eta vs tors. theta energy: -37.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -504.469129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.469129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.469129 (E_RNA)
where:
Base-Base interactions energy: -190.882
where: short stacking energy: -159.122
Base-Backbone interact. energy: 4.316
local terms energy: -317.903205
where:
bonds (distance) C4'-P energy: -87.911
bonds (distance) P-C4' energy: -89.542
flat angles C4'-P-C4' energy: -71.872
flat angles P-C4'-P energy: -51.787
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -437.387364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.387364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.387364 (E_RNA)
where:
Base-Base interactions energy: -144.261
where: short stacking energy: -124.665
Base-Backbone interact. energy: -1.082
local terms energy: -292.044873
where:
bonds (distance) C4'-P energy: -84.881
bonds (distance) P-C4' energy: -82.669
flat angles C4'-P-C4' energy: -76.536
flat angles P-C4'-P energy: -44.845
tors. eta vs tors. theta energy: -3.113
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: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -404.490051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.490051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.490051 (E_RNA)
where:
Base-Base interactions energy: -156.804
where: short stacking energy: -131.465
Base-Backbone interact. energy: -1.467
local terms energy: -246.219633
where:
bonds (distance) C4'-P energy: -89.976
bonds (distance) P-C4' energy: -74.816
flat angles C4'-P-C4' energy: -64.864
flat angles P-C4'-P energy: -36.379
tors. eta vs tors. theta energy: 19.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -388.884826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.884826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.884826 (E_RNA)
where:
Base-Base interactions energy: -139.609
where: short stacking energy: -108.139
Base-Backbone interact. energy: 1.920
local terms energy: -251.195562
where:
bonds (distance) C4'-P energy: -81.562
bonds (distance) P-C4' energy: -77.215
flat angles C4'-P-C4' energy: -62.391
flat angles P-C4'-P energy: -40.653
tors. eta vs tors. theta energy: 10.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -351.586620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.586620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.586620 (E_RNA)
where:
Base-Base interactions energy: -121.195
where: short stacking energy: -102.739
Base-Backbone interact. energy: 5.796
local terms energy: -236.188309
where:
bonds (distance) C4'-P energy: -75.612
bonds (distance) P-C4' energy: -76.883
flat angles C4'-P-C4' energy: -60.304
flat angles P-C4'-P energy: -35.983
tors. eta vs tors. theta energy: 12.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1266.516623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.516623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.516623 (E_RNA)
where:
Base-Base interactions energy: -767.137
where: short stacking energy: -431.605
Base-Backbone interact. energy: -0.419
local terms energy: -498.959864
where:
bonds (distance) C4'-P energy: -89.354
bonds (distance) P-C4' energy: -97.267
flat angles C4'-P-C4' energy: -101.435
flat angles P-C4'-P energy: -75.805
tors. eta vs tors. theta energy: -135.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1086.610637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.610637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.610637 (E_RNA)
where:
Base-Base interactions energy: -654.579
where: short stacking energy: -363.216
Base-Backbone interact. energy: -1.258
local terms energy: -430.773710
where:
bonds (distance) C4'-P energy: -78.557
bonds (distance) P-C4' energy: -89.363
flat angles C4'-P-C4' energy: -107.063
flat angles P-C4'-P energy: -52.890
tors. eta vs tors. theta energy: -102.900
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: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1061.510633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.510633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.510633 (E_RNA)
where:
Base-Base interactions energy: -619.591
where: short stacking energy: -371.448
Base-Backbone interact. energy: 0.300
local terms energy: -442.220118
where:
bonds (distance) C4'-P energy: -103.179
bonds (distance) P-C4' energy: -73.032
flat angles C4'-P-C4' energy: -101.785
flat angles P-C4'-P energy: -46.367
tors. eta vs tors. theta energy: -117.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -813.636294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.636294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.636294 (E_RNA)
where:
Base-Base interactions energy: -422.275
where: short stacking energy: -249.413
Base-Backbone interact. energy: -0.088
local terms energy: -391.272637
where:
bonds (distance) C4'-P energy: -94.991
bonds (distance) P-C4' energy: -95.461
flat angles C4'-P-C4' energy: -95.211
flat angles P-C4'-P energy: -54.392
tors. eta vs tors. theta energy: -51.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -608.467595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.467595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.467595 (E_RNA)
where:
Base-Base interactions energy: -283.627
where: short stacking energy: -220.253
Base-Backbone interact. energy: 1.552
local terms energy: -326.393116
where:
bonds (distance) C4'-P energy: -67.533
bonds (distance) P-C4' energy: -96.300
flat angles C4'-P-C4' energy: -75.148
flat angles P-C4'-P energy: -45.356
tors. eta vs tors. theta energy: -42.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -474.097250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.097250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.097250 (E_RNA)
where:
Base-Base interactions energy: -177.401
where: short stacking energy: -164.013
Base-Backbone interact. energy: 0.642
local terms energy: -297.338295
where:
bonds (distance) C4'-P energy: -85.043
bonds (distance) P-C4' energy: -89.699
flat angles C4'-P-C4' energy: -65.630
flat angles P-C4'-P energy: -37.325
tors. eta vs tors. theta energy: -19.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -443.363822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.363822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.363822 (E_RNA)
where:
Base-Base interactions energy: -170.701
where: short stacking energy: -127.812
Base-Backbone interact. energy: -0.675
local terms energy: -271.988098
where:
bonds (distance) C4'-P energy: -74.746
bonds (distance) P-C4' energy: -88.661
flat angles C4'-P-C4' energy: -67.070
flat angles P-C4'-P energy: -41.000
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: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -452.648009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.648009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.648009 (E_RNA)
where:
Base-Base interactions energy: -177.850
where: short stacking energy: -129.563
Base-Backbone interact. energy: -1.132
local terms energy: -273.665961
where:
bonds (distance) C4'-P energy: -81.592
bonds (distance) P-C4' energy: -78.733
flat angles C4'-P-C4' energy: -83.380
flat angles P-C4'-P energy: -41.190
tors. eta vs tors. theta energy: 11.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -405.045873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.045873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.045873 (E_RNA)
where:
Base-Base interactions energy: -140.195
where: short stacking energy: -129.688
Base-Backbone interact. energy: -1.366
local terms energy: -263.485790
where:
bonds (distance) C4'-P energy: -86.191
bonds (distance) P-C4' energy: -71.501
flat angles C4'-P-C4' energy: -75.947
flat angles P-C4'-P energy: -31.352
tors. eta vs tors. theta energy: 1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -366.396119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.396119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.396119 (E_RNA)
where:
Base-Base interactions energy: -113.972
where: short stacking energy: -96.221
Base-Backbone interact. energy: -1.707
local terms energy: -250.717352
where:
bonds (distance) C4'-P energy: -74.691
bonds (distance) P-C4' energy: -82.525
flat angles C4'-P-C4' energy: -58.409
flat angles P-C4'-P energy: -41.847
tors. eta vs tors. theta energy: 6.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1262.851851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.851851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.851851 (E_RNA)
where:
Base-Base interactions energy: -762.393
where: short stacking energy: -435.211
Base-Backbone interact. energy: -0.449
local terms energy: -500.010275
where:
bonds (distance) C4'-P energy: -85.896
bonds (distance) P-C4' energy: -99.420
flat angles C4'-P-C4' energy: -105.182
flat angles P-C4'-P energy: -70.611
tors. eta vs tors. theta energy: -138.901
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: 199
Temperature: 0.950000
Total energy: -1123.956898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.956898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.956898 (E_RNA)
where:
Base-Base interactions energy: -658.604
where: short stacking energy: -385.873
Base-Backbone interact. energy: -0.735
local terms energy: -464.617900
where:
bonds (distance) C4'-P energy: -95.543
bonds (distance) P-C4' energy: -89.237
flat angles C4'-P-C4' energy: -105.411
flat angles P-C4'-P energy: -65.448
tors. eta vs tors. theta energy: -108.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1073.140505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.140505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.140505 (E_RNA)
where:
Base-Base interactions energy: -623.350
where: short stacking energy: -387.023
Base-Backbone interact. energy: -0.063
local terms energy: -449.727821
where:
bonds (distance) C4'-P energy: -89.214
bonds (distance) P-C4' energy: -87.054
flat angles C4'-P-C4' energy: -95.307
flat angles P-C4'-P energy: -64.646
tors. eta vs tors. theta energy: -113.507
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: 7
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -780.921967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.921967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.921967 (E_RNA)
where:
Base-Base interactions energy: -424.896
where: short stacking energy: -232.121
Base-Backbone interact. energy: -2.014
local terms energy: -354.012832
where:
bonds (distance) C4'-P energy: -87.603
bonds (distance) P-C4' energy: -86.405
flat angles C4'-P-C4' energy: -88.925
flat angles P-C4'-P energy: -42.878
tors. eta vs tors. theta energy: -48.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -576.175619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.175619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.175619 (E_RNA)
where:
Base-Base interactions energy: -254.659
where: short stacking energy: -183.637
Base-Backbone interact. energy: 2.045
local terms energy: -323.561481
where:
bonds (distance) C4'-P energy: -90.883
bonds (distance) P-C4' energy: -87.172
flat angles C4'-P-C4' energy: -76.996
flat angles P-C4'-P energy: -52.960
tors. eta vs tors. theta energy: -15.550
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: 10
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -491.987303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.987303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.987303 (E_RNA)
where:
Base-Base interactions energy: -189.634
where: short stacking energy: -165.542
Base-Backbone interact. energy: -1.134
local terms energy: -301.219370
where:
bonds (distance) C4'-P energy: -73.381
bonds (distance) P-C4' energy: -85.508
flat angles C4'-P-C4' energy: -74.603
flat angles P-C4'-P energy: -54.565
tors. eta vs tors. theta energy: -13.163
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: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -452.201846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.201846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.201846 (E_RNA)
where:
Base-Base interactions energy: -170.446
where: short stacking energy: -134.096
Base-Backbone interact. energy: -1.189
local terms energy: -280.567150
where:
bonds (distance) C4'-P energy: -74.582
bonds (distance) P-C4' energy: -90.332
flat angles C4'-P-C4' energy: -72.478
flat angles P-C4'-P energy: -48.945
tors. eta vs tors. theta energy: 5.769
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: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -404.211691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.211691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.211691 (E_RNA)
where:
Base-Base interactions energy: -146.568
where: short stacking energy: -109.365
Base-Backbone interact. energy: -1.056
local terms energy: -256.586811
where:
bonds (distance) C4'-P energy: -88.478
bonds (distance) P-C4' energy: -79.527
flat angles C4'-P-C4' energy: -70.409
flat angles P-C4'-P energy: -33.090
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: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -383.904231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.904231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.904231 (E_RNA)
where:
Base-Base interactions energy: -108.858
where: short stacking energy: -88.087
Base-Backbone interact. energy: -2.998
local terms energy: -272.047556
where:
bonds (distance) C4'-P energy: -77.303
bonds (distance) P-C4' energy: -82.772
flat angles C4'-P-C4' energy: -72.950
flat angles P-C4'-P energy: -47.070
tors. eta vs tors. theta energy: 8.047
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: 5
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -358.818990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.818990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.818990 (E_RNA)
where:
Base-Base interactions energy: -113.632
where: short stacking energy: -98.638
Base-Backbone interact. energy: 2.644
local terms energy: -247.830586
where:
bonds (distance) C4'-P energy: -82.453
bonds (distance) P-C4' energy: -88.221
flat angles C4'-P-C4' energy: -52.279
flat angles P-C4'-P energy: -37.525
tors. eta vs tors. theta energy: 12.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1267.971765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.971765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.971765 (E_RNA)
where:
Base-Base interactions energy: -783.875
where: short stacking energy: -450.203
Base-Backbone interact. energy: 0.121
local terms energy: -484.217757
where:
bonds (distance) C4'-P energy: -84.084
bonds (distance) P-C4' energy: -98.790
flat angles C4'-P-C4' energy: -104.075
flat angles P-C4'-P energy: -61.545
tors. eta vs tors. theta energy: -135.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1099.230995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.230995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.230995 (E_RNA)
where:
Base-Base interactions energy: -632.792
where: short stacking energy: -365.276
Base-Backbone interact. energy: 0.767
local terms energy: -467.205687
where:
bonds (distance) C4'-P energy: -81.957
bonds (distance) P-C4' energy: -100.709
flat angles C4'-P-C4' energy: -109.310
flat angles P-C4'-P energy: -60.060
tors. eta vs tors. theta energy: -115.171
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: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1055.211580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.211580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.211580 (E_RNA)
where:
Base-Base interactions energy: -597.330
where: short stacking energy: -373.416
Base-Backbone interact. energy: -0.514
local terms energy: -457.367139
where:
bonds (distance) C4'-P energy: -85.350
bonds (distance) P-C4' energy: -100.028
flat angles C4'-P-C4' energy: -95.441
flat angles P-C4'-P energy: -74.382
tors. eta vs tors. theta energy: -102.166
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: 200
Temperature: 1.050000
Total energy: -805.388444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.388444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.388444 (E_RNA)
where:
Base-Base interactions energy: -434.210
where: short stacking energy: -279.267
Base-Backbone interact. energy: 0.228
local terms energy: -371.406589
where:
bonds (distance) C4'-P energy: -78.944
bonds (distance) P-C4' energy: -97.976
flat angles C4'-P-C4' energy: -81.453
flat angles P-C4'-P energy: -49.912
tors. eta vs tors. theta energy: -63.122
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: 10
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -585.754356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.754356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.754356 (E_RNA)
where:
Base-Base interactions energy: -252.146
where: short stacking energy: -193.929
Base-Backbone interact. energy: 1.449
local terms energy: -335.056529
where:
bonds (distance) C4'-P energy: -87.973
bonds (distance) P-C4' energy: -88.415
flat angles C4'-P-C4' energy: -80.851
flat angles P-C4'-P energy: -53.314
tors. eta vs tors. theta energy: -24.504
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: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -549.471603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.471603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.471603 (E_RNA)
where:
Base-Base interactions energy: -226.271
where: short stacking energy: -176.841
Base-Backbone interact. energy: 3.871
local terms energy: -327.072179
where:
bonds (distance) C4'-P energy: -94.201
bonds (distance) P-C4' energy: -90.571
flat angles C4'-P-C4' energy: -83.069
flat angles P-C4'-P energy: -39.436
tors. eta vs tors. theta energy: -19.795
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: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -455.832297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.832297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.832297 (E_RNA)
where:
Base-Base interactions energy: -153.011
where: short stacking energy: -125.818
Base-Backbone interact. energy: -0.615
local terms energy: -302.205693
where:
bonds (distance) C4'-P energy: -71.892
bonds (distance) P-C4' energy: -84.815
flat angles C4'-P-C4' energy: -86.097
flat angles P-C4'-P energy: -49.132
tors. eta vs tors. theta energy: -10.270
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: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -417.549912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.549912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.549912 (E_RNA)
where:
Base-Base interactions energy: -174.093
where: short stacking energy: -138.234
Base-Backbone interact. energy: 0.837
local terms energy: -244.294120
where:
bonds (distance) C4'-P energy: -58.230
bonds (distance) P-C4' energy: -87.185
flat angles C4'-P-C4' energy: -75.607
flat angles P-C4'-P energy: -31.324
tors. eta vs tors. theta energy: 8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -367.437079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.437079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.437079 (E_RNA)
where:
Base-Base interactions energy: -120.441
where: short stacking energy: -105.335
Base-Backbone interact. energy: -1.912
local terms energy: -245.083770
where:
bonds (distance) C4'-P energy: -72.318
bonds (distance) P-C4' energy: -75.380
flat angles C4'-P-C4' energy: -64.806
flat angles P-C4'-P energy: -41.883
tors. eta vs tors. theta energy: 9.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -367.773118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.773118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.773118 (E_RNA)
where:
Base-Base interactions energy: -136.686
where: short stacking energy: -99.479
Base-Backbone interact. energy: 0.891
local terms energy: -231.977877
where:
bonds (distance) C4'-P energy: -89.688
bonds (distance) P-C4' energy: -67.094
flat angles C4'-P-C4' energy: -55.521
flat angles P-C4'-P energy: -35.443
tors. eta vs tors. theta energy: 15.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1274.086244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.086244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.086244 (E_RNA)
where:
Base-Base interactions energy: -782.998
where: short stacking energy: -451.485
Base-Backbone interact. energy: -1.659
local terms energy: -489.428814
where:
bonds (distance) C4'-P energy: -81.638
bonds (distance) P-C4' energy: -95.796
flat angles C4'-P-C4' energy: -109.736
flat angles P-C4'-P energy: -72.840
tors. eta vs tors. theta energy: -129.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1139.094927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.094927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.094927 (E_RNA)
where:
Base-Base interactions energy: -670.421
where: short stacking energy: -423.566
Base-Backbone interact. energy: -0.641
local terms energy: -468.033307
where:
bonds (distance) C4'-P energy: -86.484
bonds (distance) P-C4' energy: -91.395
flat angles C4'-P-C4' energy: -100.785
flat angles P-C4'-P energy: -61.174
tors. eta vs tors. theta energy: -128.195
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: 4
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1044.192621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.192621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.192621 (E_RNA)
where:
Base-Base interactions energy: -602.762
where: short stacking energy: -354.279
Base-Backbone interact. energy: -1.542
local terms energy: -439.888587
where:
bonds (distance) C4'-P energy: -83.445
bonds (distance) P-C4' energy: -86.457
flat angles C4'-P-C4' energy: -96.083
flat angles P-C4'-P energy: -58.881
tors. eta vs tors. theta energy: -115.023
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: 7
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -815.426427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.426427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.426427 (E_RNA)
where:
Base-Base interactions energy: -417.038
where: short stacking energy: -254.039
Base-Backbone interact. energy: -2.305
local terms energy: -396.083437
where:
bonds (distance) C4'-P energy: -82.687
bonds (distance) P-C4' energy: -96.327
flat angles C4'-P-C4' energy: -94.619
flat angles P-C4'-P energy: -61.311
tors. eta vs tors. theta energy: -61.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -620.930802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.930802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.930802 (E_RNA)
where:
Base-Base interactions energy: -269.640
where: short stacking energy: -210.034
Base-Backbone interact. energy: 2.206
local terms energy: -353.496666
where:
bonds (distance) C4'-P energy: -76.624
bonds (distance) P-C4' energy: -105.772
flat angles C4'-P-C4' energy: -86.338
flat angles P-C4'-P energy: -47.610
tors. eta vs tors. theta energy: -37.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -563.003292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.003292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.003292 (E_RNA)
where:
Base-Base interactions energy: -252.229
where: short stacking energy: -187.285
Base-Backbone interact. energy: 1.972
local terms energy: -312.746764
where:
bonds (distance) C4'-P energy: -86.004
bonds (distance) P-C4' energy: -70.814
flat angles C4'-P-C4' energy: -69.071
flat angles P-C4'-P energy: -68.330
tors. eta vs tors. theta energy: -18.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -433.713148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.713148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.713148 (E_RNA)
where:
Base-Base interactions energy: -151.812
where: short stacking energy: -132.706
Base-Backbone interact. energy: -1.055
local terms energy: -280.846163
where:
bonds (distance) C4'-P energy: -80.494
bonds (distance) P-C4' energy: -75.638
flat angles C4'-P-C4' energy: -68.283
flat angles P-C4'-P energy: -53.571
tors. eta vs tors. theta energy: -2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -419.603423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.603423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.603423 (E_RNA)
where:
Base-Base interactions energy: -165.918
where: short stacking energy: -144.177
Base-Backbone interact. energy: -1.172
local terms energy: -252.512940
where:
bonds (distance) C4'-P energy: -72.414
bonds (distance) P-C4' energy: -70.665
flat angles C4'-P-C4' energy: -72.490
flat angles P-C4'-P energy: -25.298
tors. eta vs tors. theta energy: -11.647
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: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -382.803592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.803592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.803592 (E_RNA)
where:
Base-Base interactions energy: -153.553
where: short stacking energy: -110.338
Base-Backbone interact. energy: 0.498
local terms energy: -229.748464
where:
bonds (distance) C4'-P energy: -70.801
bonds (distance) P-C4' energy: -76.173
flat angles C4'-P-C4' energy: -34.530
flat angles P-C4'-P energy: -47.785
tors. eta vs tors. theta energy: -0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -365.629814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.629814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.629814 (E_RNA)
where:
Base-Base interactions energy: -110.920
where: short stacking energy: -105.019
Base-Backbone interact. energy: 4.832
local terms energy: -259.542006
where:
bonds (distance) C4'-P energy: -84.354
bonds (distance) P-C4' energy: -72.902
flat angles C4'-P-C4' energy: -81.706
flat angles P-C4'-P energy: -45.314
tors. eta vs tors. theta energy: 24.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1246.919678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.919678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.919678 (E_RNA)
where:
Base-Base interactions energy: -756.484
where: short stacking energy: -462.102
Base-Backbone interact. energy: -0.820
local terms energy: -489.615223
where:
bonds (distance) C4'-P energy: -89.811
bonds (distance) P-C4' energy: -94.024
flat angles C4'-P-C4' energy: -104.202
flat angles P-C4'-P energy: -67.446
tors. eta vs tors. theta energy: -134.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1145.055619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.055619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.055619 (E_RNA)
where:
Base-Base interactions energy: -662.800
where: short stacking energy: -416.723
Base-Backbone interact. energy: 4.141
local terms energy: -486.396615
where:
bonds (distance) C4'-P energy: -112.406
bonds (distance) P-C4' energy: -83.513
flat angles C4'-P-C4' energy: -101.349
flat angles P-C4'-P energy: -61.277
tors. eta vs tors. theta energy: -127.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1042.496045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.496045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.496045 (E_RNA)
where:
Base-Base interactions energy: -602.557
where: short stacking energy: -349.330
Base-Backbone interact. energy: -1.307
local terms energy: -438.631511
where:
bonds (distance) C4'-P energy: -88.406
bonds (distance) P-C4' energy: -92.558
flat angles C4'-P-C4' energy: -89.815
flat angles P-C4'-P energy: -68.952
tors. eta vs tors. theta energy: -98.900
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: 7
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -786.976910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.976910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.976910 (E_RNA)
where:
Base-Base interactions energy: -419.820
where: short stacking energy: -272.692
Base-Backbone interact. energy: 0.148
local terms energy: -367.304975
where:
bonds (distance) C4'-P energy: -78.876
bonds (distance) P-C4' energy: -89.227
flat angles C4'-P-C4' energy: -88.262
flat angles P-C4'-P energy: -57.569
tors. eta vs tors. theta energy: -53.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -607.109723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.109723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.109723 (E_RNA)
where:
Base-Base interactions energy: -274.175
where: short stacking energy: -200.053
Base-Backbone interact. energy: -0.201
local terms energy: -332.734388
where:
bonds (distance) C4'-P energy: -79.561
bonds (distance) P-C4' energy: -92.242
flat angles C4'-P-C4' energy: -84.557
flat angles P-C4'-P energy: -47.517
tors. eta vs tors. theta energy: -28.858
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: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -547.542094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.542094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.542094 (E_RNA)
where:
Base-Base interactions energy: -247.195
where: short stacking energy: -175.490
Base-Backbone interact. energy: 0.936
local terms energy: -301.282388
where:
bonds (distance) C4'-P energy: -85.527
bonds (distance) P-C4' energy: -75.201
flat angles C4'-P-C4' energy: -66.750
flat angles P-C4'-P energy: -50.579
tors. eta vs tors. theta energy: -23.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -475.410673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.410673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.410673 (E_RNA)
where:
Base-Base interactions energy: -181.513
where: short stacking energy: -164.087
Base-Backbone interact. energy: 7.359
local terms energy: -301.256690
where:
bonds (distance) C4'-P energy: -78.125
bonds (distance) P-C4' energy: -83.685
flat angles C4'-P-C4' energy: -84.243
flat angles P-C4'-P energy: -34.145
tors. eta vs tors. theta energy: -21.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -477.117011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.117011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.117011 (E_RNA)
where:
Base-Base interactions energy: -192.107
where: short stacking energy: -138.674
Base-Backbone interact. energy: -1.937
local terms energy: -283.073520
where:
bonds (distance) C4'-P energy: -76.697
bonds (distance) P-C4' energy: -82.105
flat angles C4'-P-C4' energy: -76.741
flat angles P-C4'-P energy: -39.831
tors. eta vs tors. theta energy: -7.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -393.960511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.960511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.960511 (E_RNA)
where:
Base-Base interactions energy: -144.484
where: short stacking energy: -114.326
Base-Backbone interact. energy: -0.868
local terms energy: -248.608993
where:
bonds (distance) C4'-P energy: -73.842
bonds (distance) P-C4' energy: -76.339
flat angles C4'-P-C4' energy: -64.246
flat angles P-C4'-P energy: -40.045
tors. eta vs tors. theta energy: 5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -340.637981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.637981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.637981 (E_RNA)
where:
Base-Base interactions energy: -109.133
where: short stacking energy: -94.340
Base-Backbone interact. energy: 0.035
local terms energy: -231.539605
where:
bonds (distance) C4'-P energy: -76.441
bonds (distance) P-C4' energy: -77.981
flat angles C4'-P-C4' energy: -74.980
flat angles P-C4'-P energy: -22.120
tors. eta vs tors. theta energy: 19.983
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: 6
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1243.763933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.763933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.763933 (E_RNA)
where:
Base-Base interactions energy: -742.825
where: short stacking energy: -444.315
Base-Backbone interact. energy: -1.045
local terms energy: -499.893863
where:
bonds (distance) C4'-P energy: -88.951
bonds (distance) P-C4' energy: -95.084
flat angles C4'-P-C4' energy: -108.386
flat angles P-C4'-P energy: -72.036
tors. eta vs tors. theta energy: -135.437
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: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1139.409332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.409332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.409332 (E_RNA)
where:
Base-Base interactions energy: -679.724
where: short stacking energy: -438.269
Base-Backbone interact. energy: -0.208
local terms energy: -459.476587
where:
bonds (distance) C4'-P energy: -79.244
bonds (distance) P-C4' energy: -88.980
flat angles C4'-P-C4' energy: -101.233
flat angles P-C4'-P energy: -56.837
tors. eta vs tors. theta energy: -133.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1037.951351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.951351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.951351 (E_RNA)
where:
Base-Base interactions energy: -615.361
where: short stacking energy: -348.048
Base-Backbone interact. energy: -1.860
local terms energy: -420.731034
where:
bonds (distance) C4'-P energy: -84.589
bonds (distance) P-C4' energy: -83.089
flat angles C4'-P-C4' energy: -98.858
flat angles P-C4'-P energy: -54.165
tors. eta vs tors. theta energy: -100.030
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: 4, replica: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -811.474349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.474349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.474349 (E_RNA)
where:
Base-Base interactions energy: -420.407
where: short stacking energy: -270.216
Base-Backbone interact. energy: -2.190
local terms energy: -388.876990
where:
bonds (distance) C4'-P energy: -73.829
bonds (distance) P-C4' energy: -93.337
flat angles C4'-P-C4' energy: -85.429
flat angles P-C4'-P energy: -65.634
tors. eta vs tors. theta energy: -70.648
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: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -625.429797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.429797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.429797 (E_RNA)
where:
Base-Base interactions energy: -268.274
where: short stacking energy: -199.099
Base-Backbone interact. energy: 3.027
local terms energy: -360.182414
where:
bonds (distance) C4'-P energy: -91.914
bonds (distance) P-C4' energy: -90.580
flat angles C4'-P-C4' energy: -88.766
flat angles P-C4'-P energy: -49.473
tors. eta vs tors. theta energy: -39.450
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: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -541.597337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.597337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.597337 (E_RNA)
where:
Base-Base interactions energy: -234.383
where: short stacking energy: -181.285
Base-Backbone interact. energy: -1.502
local terms energy: -305.712668
where:
bonds (distance) C4'-P energy: -75.342
bonds (distance) P-C4' energy: -87.017
flat angles C4'-P-C4' energy: -75.715
flat angles P-C4'-P energy: -53.838
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -440.393698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.393698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.393698 (E_RNA)
where:
Base-Base interactions energy: -143.151
where: short stacking energy: -115.128
Base-Backbone interact. energy: -2.643
local terms energy: -294.600261
where:
bonds (distance) C4'-P energy: -76.384
bonds (distance) P-C4' energy: -87.836
flat angles C4'-P-C4' energy: -73.680
flat angles P-C4'-P energy: -55.711
tors. eta vs tors. theta energy: -0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -425.007243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.007243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.007243 (E_RNA)
where:
Base-Base interactions energy: -157.200
where: short stacking energy: -128.280
Base-Backbone interact. energy: 0.883
local terms energy: -268.689943
where:
bonds (distance) C4'-P energy: -74.808
bonds (distance) P-C4' energy: -71.741
flat angles C4'-P-C4' energy: -71.851
flat angles P-C4'-P energy: -40.840
tors. eta vs tors. theta energy: -9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -392.014235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.014235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.014235 (E_RNA)
where:
Base-Base interactions energy: -133.875
where: short stacking energy: -122.564
Base-Backbone interact. energy: 0.290
local terms energy: -258.429562
where:
bonds (distance) C4'-P energy: -76.501
bonds (distance) P-C4' energy: -79.537
flat angles C4'-P-C4' energy: -64.065
flat angles P-C4'-P energy: -35.735
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -367.510298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.510298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.510298 (E_RNA)
where:
Base-Base interactions energy: -108.889
where: short stacking energy: -91.692
Base-Backbone interact. energy: -3.020
local terms energy: -255.601438
where:
bonds (distance) C4'-P energy: -73.892
bonds (distance) P-C4' energy: -90.100
flat angles C4'-P-C4' energy: -61.957
flat angles P-C4'-P energy: -48.925
tors. eta vs tors. theta energy: 19.273
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: 6
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1284.106247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.106247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.106247 (E_RNA)
where:
Base-Base interactions energy: -776.730
where: short stacking energy: -460.655
Base-Backbone interact. energy: 1.251
local terms energy: -508.627391
where:
bonds (distance) C4'-P energy: -94.666
bonds (distance) P-C4' energy: -90.540
flat angles C4'-P-C4' energy: -114.101
flat angles P-C4'-P energy: -65.526
tors. eta vs tors. theta energy: -143.795
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: 204
Temperature: 0.950000
Total energy: -1131.415681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.415681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.415681 (E_RNA)
where:
Base-Base interactions energy: -647.288
where: short stacking energy: -410.743
Base-Backbone interact. energy: -0.430
local terms energy: -483.698100
where:
bonds (distance) C4'-P energy: -89.176
bonds (distance) P-C4' energy: -99.797
flat angles C4'-P-C4' energy: -96.707
flat angles P-C4'-P energy: -73.147
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: 4
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1028.319517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.319517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.319517 (E_RNA)
where:
Base-Base interactions energy: -607.112
where: short stacking energy: -350.841
Base-Backbone interact. energy: -0.916
local terms energy: -420.291542
where:
bonds (distance) C4'-P energy: -84.990
bonds (distance) P-C4' energy: -89.141
flat angles C4'-P-C4' energy: -92.721
flat angles P-C4'-P energy: -59.210
tors. eta vs tors. theta energy: -94.229
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: 4, replica: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -808.966441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.966441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.966441 (E_RNA)
where:
Base-Base interactions energy: -416.317
where: short stacking energy: -261.280
Base-Backbone interact. energy: 2.704
local terms energy: -395.353445
where:
bonds (distance) C4'-P energy: -85.542
bonds (distance) P-C4' energy: -96.440
flat angles C4'-P-C4' energy: -90.345
flat angles P-C4'-P energy: -57.603
tors. eta vs tors. theta energy: -65.423
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: 3
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -587.013507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.013507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.013507 (E_RNA)
where:
Base-Base interactions energy: -275.470
where: short stacking energy: -199.559
Base-Backbone interact. energy: -0.804
local terms energy: -310.739780
where:
bonds (distance) C4'-P energy: -81.171
bonds (distance) P-C4' energy: -81.237
flat angles C4'-P-C4' energy: -70.738
flat angles P-C4'-P energy: -49.259
tors. eta vs tors. theta energy: -28.333
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: 10
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -551.021954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.021954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.021954 (E_RNA)
where:
Base-Base interactions energy: -233.271
where: short stacking energy: -192.980
Base-Backbone interact. energy: -0.632
local terms energy: -317.118798
where:
bonds (distance) C4'-P energy: -81.359
bonds (distance) P-C4' energy: -88.709
flat angles C4'-P-C4' energy: -73.773
flat angles P-C4'-P energy: -39.465
tors. eta vs tors. theta energy: -33.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -458.880410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.880410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.880410 (E_RNA)
where:
Base-Base interactions energy: -161.947
where: short stacking energy: -144.906
Base-Backbone interact. energy: -0.633
local terms energy: -296.300158
where:
bonds (distance) C4'-P energy: -79.759
bonds (distance) P-C4' energy: -83.146
flat angles C4'-P-C4' energy: -85.929
flat angles P-C4'-P energy: -37.732
tors. eta vs tors. theta energy: -9.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -395.880265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.880265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.880265 (E_RNA)
where:
Base-Base interactions energy: -132.557
where: short stacking energy: -113.139
Base-Backbone interact. energy: -3.738
local terms energy: -259.584910
where:
bonds (distance) C4'-P energy: -70.487
bonds (distance) P-C4' energy: -80.385
flat angles C4'-P-C4' energy: -72.060
flat angles P-C4'-P energy: -42.021
tors. eta vs tors. theta energy: 5.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -415.255667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.255667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.255667 (E_RNA)
where:
Base-Base interactions energy: -126.673
where: short stacking energy: -123.376
Base-Backbone interact. energy: 0.643
local terms energy: -289.226114
where:
bonds (distance) C4'-P energy: -84.150
bonds (distance) P-C4' energy: -92.857
flat angles C4'-P-C4' energy: -65.674
flat angles P-C4'-P energy: -47.007
tors. eta vs tors. theta energy: 0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -357.423018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.423018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.423018 (E_RNA)
where:
Base-Base interactions energy: -124.803
where: short stacking energy: -98.154
Base-Backbone interact. energy: -1.411
local terms energy: -231.209056
where:
bonds (distance) C4'-P energy: -67.767
bonds (distance) P-C4' energy: -81.066
flat angles C4'-P-C4' energy: -61.701
flat angles P-C4'-P energy: -48.669
tors. eta vs tors. theta energy: 27.994
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: 6
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1262.095882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.095882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.095882 (E_RNA)
where:
Base-Base interactions energy: -770.919
where: short stacking energy: -449.966
Base-Backbone interact. energy: -0.011
local terms energy: -491.166382
where:
bonds (distance) C4'-P energy: -83.811
bonds (distance) P-C4' energy: -92.615
flat angles C4'-P-C4' energy: -100.830
flat angles P-C4'-P energy: -75.042
tors. eta vs tors. theta energy: -138.869
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: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1152.776417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.776417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.776417 (E_RNA)
where:
Base-Base interactions energy: -668.724
where: short stacking energy: -425.243
Base-Backbone interact. energy: -0.845
local terms energy: -483.207231
where:
bonds (distance) C4'-P energy: -89.470
bonds (distance) P-C4' energy: -96.426
flat angles C4'-P-C4' energy: -103.308
flat angles P-C4'-P energy: -65.801
tors. eta vs tors. theta energy: -128.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1022.678844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.678844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.678844 (E_RNA)
where:
Base-Base interactions energy: -588.533
where: short stacking energy: -349.421
Base-Backbone interact. energy: 0.746
local terms energy: -434.891725
where:
bonds (distance) C4'-P energy: -91.861
bonds (distance) P-C4' energy: -83.761
flat angles C4'-P-C4' energy: -97.313
flat angles P-C4'-P energy: -57.187
tors. eta vs tors. theta energy: -104.770
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: 4, replica: 7
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -796.898978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.898978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.898978 (E_RNA)
where:
Base-Base interactions energy: -416.875
where: short stacking energy: -268.747
Base-Backbone interact. energy: -1.391
local terms energy: -378.632916
where:
bonds (distance) C4'-P energy: -81.787
bonds (distance) P-C4' energy: -88.258
flat angles C4'-P-C4' energy: -87.791
flat angles P-C4'-P energy: -54.520
tors. eta vs tors. theta energy: -66.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -658.464651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.464651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.464651 (E_RNA)
where:
Base-Base interactions energy: -289.995
where: short stacking energy: -224.352
Base-Backbone interact. energy: -0.785
local terms energy: -367.684623
where:
bonds (distance) C4'-P energy: -81.051
bonds (distance) P-C4' energy: -93.685
flat angles C4'-P-C4' energy: -93.749
flat angles P-C4'-P energy: -48.945
tors. eta vs tors. theta energy: -50.255
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: 10
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -576.418372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.418372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.418372 (E_RNA)
where:
Base-Base interactions energy: -274.377
where: short stacking energy: -187.302
Base-Backbone interact. energy: -1.366
local terms energy: -300.675013
where:
bonds (distance) C4'-P energy: -72.025
bonds (distance) P-C4' energy: -73.416
flat angles C4'-P-C4' energy: -80.088
flat angles P-C4'-P energy: -37.615
tors. eta vs tors. theta energy: -37.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -456.252530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.252530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.252530 (E_RNA)
where:
Base-Base interactions energy: -169.111
where: short stacking energy: -137.578
Base-Backbone interact. energy: 6.009
local terms energy: -293.150223
where:
bonds (distance) C4'-P energy: -69.221
bonds (distance) P-C4' energy: -92.131
flat angles C4'-P-C4' energy: -76.526
flat angles P-C4'-P energy: -57.265
tors. eta vs tors. theta energy: 1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -397.824488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.824488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.824488 (E_RNA)
where:
Base-Base interactions energy: -139.215
where: short stacking energy: -105.432
Base-Backbone interact. energy: 1.584
local terms energy: -260.193457
where:
bonds (distance) C4'-P energy: -83.094
bonds (distance) P-C4' energy: -75.659
flat angles C4'-P-C4' energy: -77.006
flat angles P-C4'-P energy: -41.018
tors. eta vs tors. theta energy: 16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -387.412719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.412719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.412719 (E_RNA)
where:
Base-Base interactions energy: -141.166
where: short stacking energy: -126.971
Base-Backbone interact. energy: -0.901
local terms energy: -245.346403
where:
bonds (distance) C4'-P energy: -83.319
bonds (distance) P-C4' energy: -79.306
flat angles C4'-P-C4' energy: -57.335
flat angles P-C4'-P energy: -35.029
tors. eta vs tors. theta energy: 9.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -341.352794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.352794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.352794 (E_RNA)
where:
Base-Base interactions energy: -111.226
where: short stacking energy: -93.200
Base-Backbone interact. energy: -0.998
local terms energy: -229.128275
where:
bonds (distance) C4'-P energy: -82.271
bonds (distance) P-C4' energy: -71.548
flat angles C4'-P-C4' energy: -51.391
flat angles P-C4'-P energy: -42.915
tors. eta vs tors. theta energy: 18.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1236.128252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.128252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.128252 (E_RNA)
where:
Base-Base interactions energy: -751.395
where: short stacking energy: -433.313
Base-Backbone interact. energy: 1.837
local terms energy: -486.570195
where:
bonds (distance) C4'-P energy: -99.565
bonds (distance) P-C4' energy: -85.959
flat angles C4'-P-C4' energy: -105.654
flat angles P-C4'-P energy: -69.688
tors. eta vs tors. theta energy: -125.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1140.569409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.569409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.569409 (E_RNA)
where:
Base-Base interactions energy: -646.060
where: short stacking energy: -424.908
Base-Backbone interact. energy: -1.277
local terms energy: -493.232551
where:
bonds (distance) C4'-P energy: -87.167
bonds (distance) P-C4' energy: -95.648
flat angles C4'-P-C4' energy: -102.758
flat angles P-C4'-P energy: -69.673
tors. eta vs tors. theta energy: -137.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1008.955021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.955021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.955021 (E_RNA)
where:
Base-Base interactions energy: -602.914
where: short stacking energy: -355.769
Base-Backbone interact. energy: 0.438
local terms energy: -406.479783
where:
bonds (distance) C4'-P energy: -87.100
bonds (distance) P-C4' energy: -95.067
flat angles C4'-P-C4' energy: -84.111
flat angles P-C4'-P energy: -54.467
tors. eta vs tors. theta energy: -85.735
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: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -752.552455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.552455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.552455 (E_RNA)
where:
Base-Base interactions energy: -387.922
where: short stacking energy: -255.057
Base-Backbone interact. energy: 6.772
local terms energy: -371.401906
where:
bonds (distance) C4'-P energy: -81.486
bonds (distance) P-C4' energy: -90.673
flat angles C4'-P-C4' energy: -84.774
flat angles P-C4'-P energy: -60.191
tors. eta vs tors. theta energy: -54.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -649.856190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.856190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.856190 (E_RNA)
where:
Base-Base interactions energy: -322.135
where: short stacking energy: -212.726
Base-Backbone interact. energy: 0.764
local terms energy: -328.485247
where:
bonds (distance) C4'-P energy: -79.499
bonds (distance) P-C4' energy: -83.290
flat angles C4'-P-C4' energy: -76.246
flat angles P-C4'-P energy: -50.252
tors. eta vs tors. theta energy: -39.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -553.784981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.784981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.784981 (E_RNA)
where:
Base-Base interactions energy: -233.564
where: short stacking energy: -176.822
Base-Backbone interact. energy: 2.268
local terms energy: -322.489696
where:
bonds (distance) C4'-P energy: -59.819
bonds (distance) P-C4' energy: -92.249
flat angles C4'-P-C4' energy: -86.555
flat angles P-C4'-P energy: -67.756
tors. eta vs tors. theta energy: -16.112
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: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -454.761607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.761607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.761607 (E_RNA)
where:
Base-Base interactions energy: -157.625
where: short stacking energy: -133.802
Base-Backbone interact. energy: 4.675
local terms energy: -301.811479
where:
bonds (distance) C4'-P energy: -87.826
bonds (distance) P-C4' energy: -85.464
flat angles C4'-P-C4' energy: -83.492
flat angles P-C4'-P energy: -42.325
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -399.251669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.251669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.251669 (E_RNA)
where:
Base-Base interactions energy: -127.068
where: short stacking energy: -109.134
Base-Backbone interact. energy: 3.140
local terms energy: -275.323408
where:
bonds (distance) C4'-P energy: -78.916
bonds (distance) P-C4' energy: -91.506
flat angles C4'-P-C4' energy: -77.936
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: 13.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -422.656683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.656683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.656683 (E_RNA)
where:
Base-Base interactions energy: -150.428
where: short stacking energy: -128.461
Base-Backbone interact. energy: -0.731
local terms energy: -271.497496
where:
bonds (distance) C4'-P energy: -84.614
bonds (distance) P-C4' energy: -73.489
flat angles C4'-P-C4' energy: -82.894
flat angles P-C4'-P energy: -36.562
tors. eta vs tors. theta energy: 6.062
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: 206
Temperature: 1.350000
Total energy: -360.788641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.788641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.788641 (E_RNA)
where:
Base-Base interactions energy: -109.726
where: short stacking energy: -101.611
Base-Backbone interact. energy: -0.256
local terms energy: -250.806829
where:
bonds (distance) C4'-P energy: -80.725
bonds (distance) P-C4' energy: -76.902
flat angles C4'-P-C4' energy: -66.243
flat angles P-C4'-P energy: -36.157
tors. eta vs tors. theta energy: 9.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1259.815723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.815723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.815723 (E_RNA)
where:
Base-Base interactions energy: -773.754
where: short stacking energy: -442.788
Base-Backbone interact. energy: -0.494
local terms energy: -485.567352
where:
bonds (distance) C4'-P energy: -89.326
bonds (distance) P-C4' energy: -98.551
flat angles C4'-P-C4' energy: -105.148
flat angles P-C4'-P energy: -59.426
tors. eta vs tors. theta energy: -133.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1107.525275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.525275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.525275 (E_RNA)
where:
Base-Base interactions energy: -640.311
where: short stacking energy: -420.779
Base-Backbone interact. energy: -1.296
local terms energy: -465.918201
where:
bonds (distance) C4'-P energy: -88.945
bonds (distance) P-C4' energy: -82.043
flat angles C4'-P-C4' energy: -110.102
flat angles P-C4'-P energy: -54.372
tors. eta vs tors. theta energy: -130.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1039.383629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.383629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.383629 (E_RNA)
where:
Base-Base interactions energy: -626.044
where: short stacking energy: -348.933
Base-Backbone interact. energy: 1.360
local terms energy: -414.699120
where:
bonds (distance) C4'-P energy: -85.386
bonds (distance) P-C4' energy: -83.018
flat angles C4'-P-C4' energy: -93.334
flat angles P-C4'-P energy: -57.055
tors. eta vs tors. theta energy: -95.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -750.078059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.078059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.078059 (E_RNA)
where:
Base-Base interactions energy: -363.062
where: short stacking energy: -272.294
Base-Backbone interact. energy: -1.292
local terms energy: -385.724025
where:
bonds (distance) C4'-P energy: -86.380
bonds (distance) P-C4' energy: -86.808
flat angles C4'-P-C4' energy: -88.078
flat angles P-C4'-P energy: -56.329
tors. eta vs tors. theta energy: -68.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -671.342847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.342847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.342847 (E_RNA)
where:
Base-Base interactions energy: -335.438
where: short stacking energy: -210.966
Base-Backbone interact. energy: -1.284
local terms energy: -334.621227
where:
bonds (distance) C4'-P energy: -84.199
bonds (distance) P-C4' energy: -88.646
flat angles C4'-P-C4' energy: -85.689
flat angles P-C4'-P energy: -46.011
tors. eta vs tors. theta energy: -30.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -573.625566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.625566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.625566 (E_RNA)
where:
Base-Base interactions energy: -284.659
where: short stacking energy: -167.325
Base-Backbone interact. energy: 1.819
local terms energy: -290.784796
where:
bonds (distance) C4'-P energy: -72.559
bonds (distance) P-C4' energy: -91.284
flat angles C4'-P-C4' energy: -63.100
flat angles P-C4'-P energy: -53.522
tors. eta vs tors. theta energy: -10.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -426.034623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.034623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.034623 (E_RNA)
where:
Base-Base interactions energy: -160.494
where: short stacking energy: -134.704
Base-Backbone interact. energy: 0.442
local terms energy: -265.982735
where:
bonds (distance) C4'-P energy: -74.668
bonds (distance) P-C4' energy: -74.267
flat angles C4'-P-C4' energy: -77.698
flat angles P-C4'-P energy: -42.249
tors. eta vs tors. theta energy: 2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -407.352338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.352338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.352338 (E_RNA)
where:
Base-Base interactions energy: -147.976
where: short stacking energy: -127.011
Base-Backbone interact. energy: -1.498
local terms energy: -257.878462
where:
bonds (distance) C4'-P energy: -64.816
bonds (distance) P-C4' energy: -82.443
flat angles C4'-P-C4' energy: -69.414
flat angles P-C4'-P energy: -29.929
tors. eta vs tors. theta energy: -11.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -399.968710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.968710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.968710 (E_RNA)
where:
Base-Base interactions energy: -130.228
where: short stacking energy: -119.366
Base-Backbone interact. energy: -1.860
local terms energy: -267.880459
where:
bonds (distance) C4'-P energy: -77.538
bonds (distance) P-C4' energy: -91.709
flat angles C4'-P-C4' energy: -48.625
flat angles P-C4'-P energy: -49.008
tors. eta vs tors. theta energy: -1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -392.741717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.741717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.741717 (E_RNA)
where:
Base-Base interactions energy: -125.877
where: short stacking energy: -106.925
Base-Backbone interact. energy: 0.672
local terms energy: -267.537574
where:
bonds (distance) C4'-P energy: -79.459
bonds (distance) P-C4' energy: -85.716
flat angles C4'-P-C4' energy: -76.107
flat angles P-C4'-P energy: -43.010
tors. eta vs tors. theta energy: 16.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1288.627835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.627835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.627835 (E_RNA)
where:
Base-Base interactions energy: -790.883
where: short stacking energy: -451.251
Base-Backbone interact. energy: -0.720
local terms energy: -497.025393
where:
bonds (distance) C4'-P energy: -103.544
bonds (distance) P-C4' energy: -90.893
flat angles C4'-P-C4' energy: -101.092
flat angles P-C4'-P energy: -61.412
tors. eta vs tors. theta energy: -140.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1164.258890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.258890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.258890 (E_RNA)
where:
Base-Base interactions energy: -662.642
where: short stacking energy: -420.205
Base-Backbone interact. energy: -0.385
local terms energy: -501.231863
where:
bonds (distance) C4'-P energy: -97.386
bonds (distance) P-C4' energy: -99.770
flat angles C4'-P-C4' energy: -97.809
flat angles P-C4'-P energy: -81.554
tors. eta vs tors. theta energy: -124.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1021.537054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.537054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.537054 (E_RNA)
where:
Base-Base interactions energy: -584.768
where: short stacking energy: -343.203
Base-Backbone interact. energy: -0.989
local terms energy: -435.780762
where:
bonds (distance) C4'-P energy: -88.711
bonds (distance) P-C4' energy: -102.368
flat angles C4'-P-C4' energy: -84.093
flat angles P-C4'-P energy: -59.987
tors. eta vs tors. theta energy: -100.622
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: 4, replica: 7
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -746.615995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.615995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.615995 (E_RNA)
where:
Base-Base interactions energy: -370.825
where: short stacking energy: -226.895
Base-Backbone interact. energy: -0.209
local terms energy: -375.581794
where:
bonds (distance) C4'-P energy: -87.611
bonds (distance) P-C4' energy: -97.746
flat angles C4'-P-C4' energy: -84.418
flat angles P-C4'-P energy: -54.858
tors. eta vs tors. theta energy: -50.949
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: 208
Temperature: 1.100000
Total energy: -691.447621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.447621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.447621 (E_RNA)
where:
Base-Base interactions energy: -328.992
where: short stacking energy: -222.769
Base-Backbone interact. energy: -1.961
local terms energy: -360.495130
where:
bonds (distance) C4'-P energy: -75.859
bonds (distance) P-C4' energy: -91.070
flat angles C4'-P-C4' energy: -98.050
flat angles P-C4'-P energy: -53.756
tors. eta vs tors. theta energy: -41.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -588.018609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.018609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.018609 (E_RNA)
where:
Base-Base interactions energy: -271.388
where: short stacking energy: -193.074
Base-Backbone interact. energy: 0.288
local terms energy: -316.919211
where:
bonds (distance) C4'-P energy: -68.819
bonds (distance) P-C4' energy: -92.558
flat angles C4'-P-C4' energy: -76.301
flat angles P-C4'-P energy: -60.623
tors. eta vs tors. theta energy: -18.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -439.496466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.496466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.496466 (E_RNA)
where:
Base-Base interactions energy: -159.874
where: short stacking energy: -149.142
Base-Backbone interact. energy: -1.564
local terms energy: -278.058141
where:
bonds (distance) C4'-P energy: -82.213
bonds (distance) P-C4' energy: -88.154
flat angles C4'-P-C4' energy: -72.096
flat angles P-C4'-P energy: -34.101
tors. eta vs tors. theta energy: -1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -421.446626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.446626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.446626 (E_RNA)
where:
Base-Base interactions energy: -156.806
where: short stacking energy: -111.695
Base-Backbone interact. energy: 1.601
local terms energy: -266.241902
where:
bonds (distance) C4'-P energy: -84.816
bonds (distance) P-C4' energy: -66.907
flat angles C4'-P-C4' energy: -78.833
flat angles P-C4'-P energy: -34.281
tors. eta vs tors. theta energy: -1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -368.430988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.430988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.430988 (E_RNA)
where:
Base-Base interactions energy: -112.845
where: short stacking energy: -98.602
Base-Backbone interact. energy: 4.283
local terms energy: -259.868657
where:
bonds (distance) C4'-P energy: -67.145
bonds (distance) P-C4' energy: -90.679
flat angles C4'-P-C4' energy: -71.312
flat angles P-C4'-P energy: -30.577
tors. eta vs tors. theta energy: -0.156
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: 5
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -340.687037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.687037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.687037 (E_RNA)
where:
Base-Base interactions energy: -90.755
where: short stacking energy: -86.768
Base-Backbone interact. energy: 2.275
local terms energy: -252.206234
where:
bonds (distance) C4'-P energy: -73.886
bonds (distance) P-C4' energy: -77.752
flat angles C4'-P-C4' energy: -70.823
flat angles P-C4'-P energy: -38.854
tors. eta vs tors. theta energy: 9.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1299.310111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.310111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.310111 (E_RNA)
where:
Base-Base interactions energy: -789.281
where: short stacking energy: -469.808
Base-Backbone interact. energy: -0.631
local terms energy: -509.398155
where:
bonds (distance) C4'-P energy: -93.796
bonds (distance) P-C4' energy: -99.888
flat angles C4'-P-C4' energy: -100.526
flat angles P-C4'-P energy: -67.133
tors. eta vs tors. theta energy: -148.055
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: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1157.588583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.588583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.588583 (E_RNA)
where:
Base-Base interactions energy: -662.066
where: short stacking energy: -413.694
Base-Backbone interact. energy: -0.782
local terms energy: -494.740866
where:
bonds (distance) C4'-P energy: -102.087
bonds (distance) P-C4' energy: -88.445
flat angles C4'-P-C4' energy: -106.317
flat angles P-C4'-P energy: -66.280
tors. eta vs tors. theta energy: -131.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1002.574054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.574054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.574054 (E_RNA)
where:
Base-Base interactions energy: -579.757
where: short stacking energy: -313.369
Base-Backbone interact. energy: 0.924
local terms energy: -423.740744
where:
bonds (distance) C4'-P energy: -92.146
bonds (distance) P-C4' energy: -85.933
flat angles C4'-P-C4' energy: -102.129
flat angles P-C4'-P energy: -61.579
tors. eta vs tors. theta energy: -81.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -778.139553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.139553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.139553 (E_RNA)
where:
Base-Base interactions energy: -391.133
where: short stacking energy: -283.832
Base-Backbone interact. energy: 0.521
local terms energy: -387.528167
where:
bonds (distance) C4'-P energy: -77.588
bonds (distance) P-C4' energy: -98.171
flat angles C4'-P-C4' energy: -95.812
flat angles P-C4'-P energy: -50.284
tors. eta vs tors. theta energy: -65.674
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: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -682.130842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.130842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.130842 (E_RNA)
where:
Base-Base interactions energy: -336.678
where: short stacking energy: -226.942
Base-Backbone interact. energy: -1.022
local terms energy: -344.430338
where:
bonds (distance) C4'-P energy: -79.344
bonds (distance) P-C4' energy: -89.395
flat angles C4'-P-C4' energy: -91.924
flat angles P-C4'-P energy: -43.821
tors. eta vs tors. theta energy: -39.946
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: 6, replica: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -563.688626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.688626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.688626 (E_RNA)
where:
Base-Base interactions energy: -237.234
where: short stacking energy: -191.147
Base-Backbone interact. energy: -1.370
local terms energy: -325.084796
where:
bonds (distance) C4'-P energy: -76.644
bonds (distance) P-C4' energy: -78.591
flat angles C4'-P-C4' energy: -80.587
flat angles P-C4'-P energy: -56.296
tors. eta vs tors. theta energy: -32.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -453.133941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.133941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.133941 (E_RNA)
where:
Base-Base interactions energy: -184.312
where: short stacking energy: -143.477
Base-Backbone interact. energy: 0.499
local terms energy: -269.321301
where:
bonds (distance) C4'-P energy: -75.021
bonds (distance) P-C4' energy: -73.698
flat angles C4'-P-C4' energy: -64.300
flat angles P-C4'-P energy: -53.844
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: 8, replica: 8
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -440.010995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.010995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.010995 (E_RNA)
where:
Base-Base interactions energy: -137.039
where: short stacking energy: -131.597
Base-Backbone interact. energy: 1.154
local terms energy: -304.125328
where:
bonds (distance) C4'-P energy: -90.904
bonds (distance) P-C4' energy: -85.028
flat angles C4'-P-C4' energy: -71.189
flat angles P-C4'-P energy: -43.886
tors. eta vs tors. theta energy: -13.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -435.526795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.526795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.526795 (E_RNA)
where:
Base-Base interactions energy: -173.660
where: short stacking energy: -140.652
Base-Backbone interact. energy: -4.596
local terms energy: -257.271348
where:
bonds (distance) C4'-P energy: -65.910
bonds (distance) P-C4' energy: -80.715
flat angles C4'-P-C4' energy: -74.066
flat angles P-C4'-P energy: -26.607
tors. eta vs tors. theta energy: -9.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -356.321096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.321096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.321096 (E_RNA)
where:
Base-Base interactions energy: -114.760
where: short stacking energy: -97.284
Base-Backbone interact. energy: -1.762
local terms energy: -239.799064
where:
bonds (distance) C4'-P energy: -63.682
bonds (distance) P-C4' energy: -86.509
flat angles C4'-P-C4' energy: -50.479
flat angles P-C4'-P energy: -40.279
tors. eta vs tors. theta energy: 1.150
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: 6
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1275.732939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.732939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.732939 (E_RNA)
where:
Base-Base interactions energy: -778.216
where: short stacking energy: -445.006
Base-Backbone interact. energy: -0.266
local terms energy: -497.250524
where:
bonds (distance) C4'-P energy: -99.414
bonds (distance) P-C4' energy: -96.196
flat angles C4'-P-C4' energy: -96.065
flat angles P-C4'-P energy: -69.304
tors. eta vs tors. theta energy: -136.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1104.002644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.002644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.002644 (E_RNA)
where:
Base-Base interactions energy: -633.703
where: short stacking energy: -386.738
Base-Backbone interact. energy: -0.654
local terms energy: -469.645689
where:
bonds (distance) C4'-P energy: -86.665
bonds (distance) P-C4' energy: -97.295
flat angles C4'-P-C4' energy: -100.767
flat angles P-C4'-P energy: -69.344
tors. eta vs tors. theta energy: -115.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1003.989240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.989240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.989240 (E_RNA)
where:
Base-Base interactions energy: -583.459
where: short stacking energy: -340.821
Base-Backbone interact. energy: -1.922
local terms energy: -418.608850
where:
bonds (distance) C4'-P energy: -86.088
bonds (distance) P-C4' energy: -91.712
flat angles C4'-P-C4' energy: -84.708
flat angles P-C4'-P energy: -59.361
tors. eta vs tors. theta energy: -96.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -771.502287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.502287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.502287 (E_RNA)
where:
Base-Base interactions energy: -392.247
where: short stacking energy: -261.994
Base-Backbone interact. energy: 0.283
local terms energy: -379.538130
where:
bonds (distance) C4'-P energy: -83.949
bonds (distance) P-C4' energy: -94.731
flat angles C4'-P-C4' energy: -89.417
flat angles P-C4'-P energy: -51.254
tors. eta vs tors. theta energy: -60.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -663.652027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.652027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.652027 (E_RNA)
where:
Base-Base interactions energy: -347.689
where: short stacking energy: -211.570
Base-Backbone interact. energy: 1.228
local terms energy: -317.191432
where:
bonds (distance) C4'-P energy: -75.462
bonds (distance) P-C4' energy: -77.358
flat angles C4'-P-C4' energy: -79.671
flat angles P-C4'-P energy: -53.907
tors. eta vs tors. theta energy: -30.794
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: 10
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -603.482345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.482345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.482345 (E_RNA)
where:
Base-Base interactions energy: -273.767
where: short stacking energy: -173.593
Base-Backbone interact. energy: -2.296
local terms energy: -327.419203
where:
bonds (distance) C4'-P energy: -100.330
bonds (distance) P-C4' energy: -67.127
flat angles C4'-P-C4' energy: -91.245
flat angles P-C4'-P energy: -45.789
tors. eta vs tors. theta energy: -22.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -439.054174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.054174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.054174 (E_RNA)
where:
Base-Base interactions energy: -159.452
where: short stacking energy: -129.994
Base-Backbone interact. energy: 3.317
local terms energy: -282.918720
where:
bonds (distance) C4'-P energy: -84.392
bonds (distance) P-C4' energy: -83.071
flat angles C4'-P-C4' energy: -58.717
flat angles P-C4'-P energy: -47.091
tors. eta vs tors. theta energy: -9.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -413.366376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.366376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.366376 (E_RNA)
where:
Base-Base interactions energy: -139.966
where: short stacking energy: -131.638
Base-Backbone interact. energy: 1.571
local terms energy: -274.971732
where:
bonds (distance) C4'-P energy: -62.532
bonds (distance) P-C4' energy: -90.248
flat angles C4'-P-C4' energy: -65.989
flat angles P-C4'-P energy: -51.633
tors. eta vs tors. theta energy: -4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -405.511660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.511660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.511660 (E_RNA)
where:
Base-Base interactions energy: -124.741
where: short stacking energy: -124.174
Base-Backbone interact. energy: 0.069
local terms energy: -280.839920
where:
bonds (distance) C4'-P energy: -77.178
bonds (distance) P-C4' energy: -87.099
flat angles C4'-P-C4' energy: -66.079
flat angles P-C4'-P energy: -52.518
tors. eta vs tors. theta energy: 2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -357.161650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.161650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.161650 (E_RNA)
where:
Base-Base interactions energy: -104.428
where: short stacking energy: -92.918
Base-Backbone interact. energy: -0.321
local terms energy: -252.412240
where:
bonds (distance) C4'-P energy: -73.173
bonds (distance) P-C4' energy: -70.981
flat angles C4'-P-C4' energy: -76.917
flat angles P-C4'-P energy: -33.381
tors. eta vs tors. theta energy: 2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1259.616546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.616546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.616546 (E_RNA)
where:
Base-Base interactions energy: -744.245
where: short stacking energy: -434.943
Base-Backbone interact. energy: -0.316
local terms energy: -515.055613
where:
bonds (distance) C4'-P energy: -82.299
bonds (distance) P-C4' energy: -100.449
flat angles C4'-P-C4' energy: -110.711
flat angles P-C4'-P energy: -74.749
tors. eta vs tors. theta energy: -146.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1177.482036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.482036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.482036 (E_RNA)
where:
Base-Base interactions energy: -691.490
where: short stacking energy: -439.640
Base-Backbone interact. energy: -0.571
local terms energy: -485.421581
where:
bonds (distance) C4'-P energy: -89.842
bonds (distance) P-C4' energy: -87.763
flat angles C4'-P-C4' energy: -107.162
flat angles P-C4'-P energy: -62.902
tors. eta vs tors. theta energy: -137.753
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: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1008.226348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.226348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.226348 (E_RNA)
where:
Base-Base interactions energy: -571.269
where: short stacking energy: -317.100
Base-Backbone interact. energy: -0.624
local terms energy: -436.333429
where:
bonds (distance) C4'-P energy: -93.300
bonds (distance) P-C4' energy: -93.567
flat angles C4'-P-C4' energy: -92.478
flat angles P-C4'-P energy: -67.693
tors. eta vs tors. theta energy: -89.295
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: 7
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -750.801147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.801147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.801147 (E_RNA)
where:
Base-Base interactions energy: -369.200
where: short stacking energy: -241.264
Base-Backbone interact. energy: 0.853
local terms energy: -382.454312
where:
bonds (distance) C4'-P energy: -84.734
bonds (distance) P-C4' energy: -96.563
flat angles C4'-P-C4' energy: -87.965
flat angles P-C4'-P energy: -62.388
tors. eta vs tors. theta energy: -50.804
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: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -656.970174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.970174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.970174 (E_RNA)
where:
Base-Base interactions energy: -314.595
where: short stacking energy: -204.865
Base-Backbone interact. energy: 4.712
local terms energy: -347.086495
where:
bonds (distance) C4'-P energy: -78.055
bonds (distance) P-C4' energy: -96.895
flat angles C4'-P-C4' energy: -83.203
flat angles P-C4'-P energy: -49.849
tors. eta vs tors. theta energy: -39.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -618.107408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.107408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.107408 (E_RNA)
where:
Base-Base interactions energy: -287.296
where: short stacking energy: -185.549
Base-Backbone interact. energy: 0.315
local terms energy: -331.125939
where:
bonds (distance) C4'-P energy: -77.076
bonds (distance) P-C4' energy: -87.390
flat angles C4'-P-C4' energy: -88.169
flat angles P-C4'-P energy: -56.608
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: 7, replica: 8
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -494.754499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.754499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.754499 (E_RNA)
where:
Base-Base interactions energy: -189.842
where: short stacking energy: -152.597
Base-Backbone interact. energy: -0.580
local terms energy: -304.331738
where:
bonds (distance) C4'-P energy: -85.746
bonds (distance) P-C4' energy: -82.065
flat angles C4'-P-C4' energy: -81.269
flat angles P-C4'-P energy: -33.568
tors. eta vs tors. theta energy: -21.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -409.223558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.223558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.223558 (E_RNA)
where:
Base-Base interactions energy: -147.738
where: short stacking energy: -142.322
Base-Backbone interact. energy: -1.435
local terms energy: -260.050818
where:
bonds (distance) C4'-P energy: -79.528
bonds (distance) P-C4' energy: -81.358
flat angles C4'-P-C4' energy: -59.582
flat angles P-C4'-P energy: -33.640
tors. eta vs tors. theta energy: -5.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -395.305131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.305131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.305131 (E_RNA)
where:
Base-Base interactions energy: -152.535
where: short stacking energy: -122.722
Base-Backbone interact. energy: 3.601
local terms energy: -246.371602
where:
bonds (distance) C4'-P energy: -71.180
bonds (distance) P-C4' energy: -78.286
flat angles C4'-P-C4' energy: -77.629
flat angles P-C4'-P energy: -25.137
tors. eta vs tors. theta energy: 5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -354.937657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.937657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.937657 (E_RNA)
where:
Base-Base interactions energy: -100.312
where: short stacking energy: -94.672
Base-Backbone interact. energy: -0.010
local terms energy: -254.615552
where:
bonds (distance) C4'-P energy: -82.445
bonds (distance) P-C4' energy: -82.075
flat angles C4'-P-C4' energy: -64.510
flat angles P-C4'-P energy: -40.445
tors. eta vs tors. theta energy: 14.861
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: 6
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1224.290858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.290858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.290858 (E_RNA)
where:
Base-Base interactions energy: -740.442
where: short stacking energy: -435.664
Base-Backbone interact. energy: -0.438
local terms energy: -483.411018
where:
bonds (distance) C4'-P energy: -87.984
bonds (distance) P-C4' energy: -90.597
flat angles C4'-P-C4' energy: -99.201
flat angles P-C4'-P energy: -76.863
tors. eta vs tors. theta energy: -128.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1125.128557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.128557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.128557 (E_RNA)
where:
Base-Base interactions energy: -649.712
where: short stacking energy: -413.166
Base-Backbone interact. energy: -0.332
local terms energy: -475.084799
where:
bonds (distance) C4'-P energy: -84.608
bonds (distance) P-C4' energy: -95.906
flat angles C4'-P-C4' energy: -103.993
flat angles P-C4'-P energy: -65.141
tors. eta vs tors. theta energy: -125.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1008.512736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.512736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.512736 (E_RNA)
where:
Base-Base interactions energy: -598.021
where: short stacking energy: -351.548
Base-Backbone interact. energy: -2.913
local terms energy: -407.578946
where:
bonds (distance) C4'-P energy: -96.536
bonds (distance) P-C4' energy: -65.712
flat angles C4'-P-C4' energy: -95.005
flat angles P-C4'-P energy: -62.355
tors. eta vs tors. theta energy: -87.972
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: 7
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -741.586944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.586944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.586944 (E_RNA)
where:
Base-Base interactions energy: -392.843
where: short stacking energy: -227.641
Base-Backbone interact. energy: 7.888
local terms energy: -356.632334
where:
bonds (distance) C4'-P energy: -86.624
bonds (distance) P-C4' energy: -94.033
flat angles C4'-P-C4' energy: -74.711
flat angles P-C4'-P energy: -48.753
tors. eta vs tors. theta energy: -52.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -658.392198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.392198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.392198 (E_RNA)
where:
Base-Base interactions energy: -303.672
where: short stacking energy: -224.263
Base-Backbone interact. energy: 2.043
local terms energy: -356.762375
where:
bonds (distance) C4'-P energy: -72.768
bonds (distance) P-C4' energy: -94.493
flat angles C4'-P-C4' energy: -82.207
flat angles P-C4'-P energy: -63.844
tors. eta vs tors. theta energy: -43.450
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: 10
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -552.135159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.135159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.135159 (E_RNA)
where:
Base-Base interactions energy: -230.669
where: short stacking energy: -160.915
Base-Backbone interact. energy: -1.750
local terms energy: -319.717005
where:
bonds (distance) C4'-P energy: -82.568
bonds (distance) P-C4' energy: -84.443
flat angles C4'-P-C4' energy: -90.489
flat angles P-C4'-P energy: -33.867
tors. eta vs tors. theta energy: -28.349
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: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -514.463949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.463949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.463949 (E_RNA)
where:
Base-Base interactions energy: -209.103
where: short stacking energy: -134.480
Base-Backbone interact. energy: -2.335
local terms energy: -303.026012
where:
bonds (distance) C4'-P energy: -73.045
bonds (distance) P-C4' energy: -95.359
flat angles C4'-P-C4' energy: -60.671
flat angles P-C4'-P energy: -61.620
tors. eta vs tors. theta energy: -12.330
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: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -403.263864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.263864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.263864 (E_RNA)
where:
Base-Base interactions energy: -132.774
where: short stacking energy: -105.250
Base-Backbone interact. energy: -0.969
local terms energy: -269.520684
where:
bonds (distance) C4'-P energy: -85.859
bonds (distance) P-C4' energy: -72.602
flat angles C4'-P-C4' energy: -77.140
flat angles P-C4'-P energy: -37.743
tors. eta vs tors. theta energy: 3.823
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: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -374.854924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.854924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.854924 (E_RNA)
where:
Base-Base interactions energy: -116.793
where: short stacking energy: -113.220
Base-Backbone interact. energy: 0.693
local terms energy: -258.755325
where:
bonds (distance) C4'-P energy: -69.432
bonds (distance) P-C4' energy: -89.811
flat angles C4'-P-C4' energy: -68.262
flat angles P-C4'-P energy: -49.687
tors. eta vs tors. theta energy: 18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -331.786231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.786231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.786231 (E_RNA)
where:
Base-Base interactions energy: -100.103
where: short stacking energy: -89.338
Base-Backbone interact. energy: 0.268
local terms energy: -231.951335
where:
bonds (distance) C4'-P energy: -66.268
bonds (distance) P-C4' energy: -79.720
flat angles C4'-P-C4' energy: -65.404
flat angles P-C4'-P energy: -46.618
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: 1, replica: 6
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1236.520221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.520221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.520221 (E_RNA)
where:
Base-Base interactions energy: -743.899
where: short stacking energy: -430.391
Base-Backbone interact. energy: -1.080
local terms energy: -491.541101
where:
bonds (distance) C4'-P energy: -104.564
bonds (distance) P-C4' energy: -91.725
flat angles C4'-P-C4' energy: -98.989
flat angles P-C4'-P energy: -66.295
tors. eta vs tors. theta energy: -129.968
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: 213
Temperature: 0.950000
Total energy: -1080.310711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.310711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.310711 (E_RNA)
where:
Base-Base interactions energy: -626.271
where: short stacking energy: -355.913
Base-Backbone interact. energy: -0.567
local terms energy: -453.472321
where:
bonds (distance) C4'-P energy: -93.956
bonds (distance) P-C4' energy: -98.453
flat angles C4'-P-C4' energy: -94.788
flat angles P-C4'-P energy: -65.523
tors. eta vs tors. theta energy: -100.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1053.929901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.929901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.929901 (E_RNA)
where:
Base-Base interactions energy: -605.784
where: short stacking energy: -362.831
Base-Backbone interact. energy: -1.100
local terms energy: -447.045828
where:
bonds (distance) C4'-P energy: -93.738
bonds (distance) P-C4' energy: -94.658
flat angles C4'-P-C4' energy: -76.871
flat angles P-C4'-P energy: -67.206
tors. eta vs tors. theta energy: -114.573
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: 213
Temperature: 1.050000
Total energy: -770.382307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.382307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.382307 (E_RNA)
where:
Base-Base interactions energy: -384.562
where: short stacking energy: -239.047
Base-Backbone interact. energy: 0.164
local terms energy: -385.984430
where:
bonds (distance) C4'-P energy: -82.771
bonds (distance) P-C4' energy: -90.686
flat angles C4'-P-C4' energy: -103.913
flat angles P-C4'-P energy: -53.840
tors. eta vs tors. theta energy: -54.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -707.897933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.897933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.897933 (E_RNA)
where:
Base-Base interactions energy: -355.837
where: short stacking energy: -226.805
Base-Backbone interact. energy: -0.304
local terms energy: -351.757793
where:
bonds (distance) C4'-P energy: -69.892
bonds (distance) P-C4' energy: -89.718
flat angles C4'-P-C4' energy: -92.693
flat angles P-C4'-P energy: -60.400
tors. eta vs tors. theta energy: -39.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -557.071083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.071083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.071083 (E_RNA)
where:
Base-Base interactions energy: -246.440
where: short stacking energy: -170.185
Base-Backbone interact. energy: -1.371
local terms energy: -309.259916
where:
bonds (distance) C4'-P energy: -70.810
bonds (distance) P-C4' energy: -81.208
flat angles C4'-P-C4' energy: -79.620
flat angles P-C4'-P energy: -57.333
tors. eta vs tors. theta energy: -20.289
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: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -494.525794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.525794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.525794 (E_RNA)
where:
Base-Base interactions energy: -187.080
where: short stacking energy: -122.861
Base-Backbone interact. energy: -1.054
local terms energy: -306.392181
where:
bonds (distance) C4'-P energy: -95.998
bonds (distance) P-C4' energy: -94.307
flat angles C4'-P-C4' energy: -70.296
flat angles P-C4'-P energy: -45.940
tors. eta vs tors. theta energy: 0.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -421.813044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.813044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.813044 (E_RNA)
where:
Base-Base interactions energy: -143.373
where: short stacking energy: -135.584
Base-Backbone interact. energy: -0.975
local terms energy: -277.464450
where:
bonds (distance) C4'-P energy: -82.852
bonds (distance) P-C4' energy: -88.431
flat angles C4'-P-C4' energy: -66.295
flat angles P-C4'-P energy: -43.060
tors. eta vs tors. theta energy: 3.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -383.027931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.027931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.027931 (E_RNA)
where:
Base-Base interactions energy: -139.402
where: short stacking energy: -129.561
Base-Backbone interact. energy: 1.775
local terms energy: -245.400621
where:
bonds (distance) C4'-P energy: -77.138
bonds (distance) P-C4' energy: -83.417
flat angles C4'-P-C4' energy: -65.610
flat angles P-C4'-P energy: -29.950
tors. eta vs tors. theta energy: 10.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -367.801327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.801327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.801327 (E_RNA)
where:
Base-Base interactions energy: -139.159
where: short stacking energy: -117.145
Base-Backbone interact. energy: -1.505
local terms energy: -227.137790
where:
bonds (distance) C4'-P energy: -65.039
bonds (distance) P-C4' energy: -83.323
flat angles C4'-P-C4' energy: -67.994
flat angles P-C4'-P energy: -37.465
tors. eta vs tors. theta energy: 26.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1196.926607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.926607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.926607 (E_RNA)
where:
Base-Base interactions energy: -723.531
where: short stacking energy: -431.084
Base-Backbone interact. energy: -1.421
local terms energy: -471.973969
where:
bonds (distance) C4'-P energy: -86.479
bonds (distance) P-C4' energy: -92.979
flat angles C4'-P-C4' energy: -94.743
flat angles P-C4'-P energy: -70.555
tors. eta vs tors. theta energy: -127.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1093.412639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.412639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.412639 (E_RNA)
where:
Base-Base interactions energy: -647.122
where: short stacking energy: -377.015
Base-Backbone interact. energy: 0.396
local terms energy: -446.687562
where:
bonds (distance) C4'-P energy: -77.180
bonds (distance) P-C4' energy: -102.327
flat angles C4'-P-C4' energy: -94.372
flat angles P-C4'-P energy: -58.173
tors. eta vs tors. theta energy: -114.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1066.220249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.220249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.220249 (E_RNA)
where:
Base-Base interactions energy: -629.608
where: short stacking energy: -384.550
Base-Backbone interact. energy: -0.959
local terms energy: -435.652915
where:
bonds (distance) C4'-P energy: -81.436
bonds (distance) P-C4' energy: -90.040
flat angles C4'-P-C4' energy: -95.353
flat angles P-C4'-P energy: -57.266
tors. eta vs tors. theta energy: -111.557
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: 7
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -825.863839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.863839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.863839 (E_RNA)
where:
Base-Base interactions energy: -437.135
where: short stacking energy: -277.098
Base-Backbone interact. energy: -1.903
local terms energy: -386.825800
where:
bonds (distance) C4'-P energy: -87.018
bonds (distance) P-C4' energy: -86.021
flat angles C4'-P-C4' energy: -93.031
flat angles P-C4'-P energy: -53.115
tors. eta vs tors. theta energy: -67.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -726.349756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.349756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.349756 (E_RNA)
where:
Base-Base interactions energy: -377.802
where: short stacking energy: -249.985
Base-Backbone interact. energy: 0.863
local terms energy: -349.410865
where:
bonds (distance) C4'-P energy: -67.733
bonds (distance) P-C4' energy: -86.088
flat angles C4'-P-C4' energy: -67.354
flat angles P-C4'-P energy: -67.829
tors. eta vs tors. theta energy: -60.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -553.399500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.399500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.399500 (E_RNA)
where:
Base-Base interactions energy: -246.257
where: short stacking energy: -195.113
Base-Backbone interact. energy: -1.812
local terms energy: -305.330202
where:
bonds (distance) C4'-P energy: -82.624
bonds (distance) P-C4' energy: -80.537
flat angles C4'-P-C4' energy: -81.070
flat angles P-C4'-P energy: -39.221
tors. eta vs tors. theta energy: -21.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -515.467690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.467690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.467690 (E_RNA)
where:
Base-Base interactions energy: -235.317
where: short stacking energy: -163.639
Base-Backbone interact. energy: -0.992
local terms energy: -279.159258
where:
bonds (distance) C4'-P energy: -77.021
bonds (distance) P-C4' energy: -76.542
flat angles C4'-P-C4' energy: -56.839
flat angles P-C4'-P energy: -46.685
tors. eta vs tors. theta energy: -22.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -400.793945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.793945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.793945 (E_RNA)
where:
Base-Base interactions energy: -134.919
where: short stacking energy: -121.716
Base-Backbone interact. energy: -2.282
local terms energy: -263.593451
where:
bonds (distance) C4'-P energy: -77.858
bonds (distance) P-C4' energy: -85.359
flat angles C4'-P-C4' energy: -80.255
flat angles P-C4'-P energy: -36.324
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: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -370.057110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.057110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.057110 (E_RNA)
where:
Base-Base interactions energy: -123.891
where: short stacking energy: -94.532
Base-Backbone interact. energy: 0.735
local terms energy: -246.901303
where:
bonds (distance) C4'-P energy: -71.676
bonds (distance) P-C4' energy: -87.178
flat angles C4'-P-C4' energy: -71.680
flat angles P-C4'-P energy: -37.326
tors. eta vs tors. theta energy: 20.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -350.004465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.004465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.004465 (E_RNA)
where:
Base-Base interactions energy: -105.114
where: short stacking energy: -89.943
Base-Backbone interact. energy: 0.334
local terms energy: -245.224923
where:
bonds (distance) C4'-P energy: -75.544
bonds (distance) P-C4' energy: -88.965
flat angles C4'-P-C4' energy: -59.813
flat angles P-C4'-P energy: -48.685
tors. eta vs tors. theta energy: 27.782
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: 6
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1210.575313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.575313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.575313 (E_RNA)
where:
Base-Base interactions energy: -714.062
where: short stacking energy: -439.065
Base-Backbone interact. energy: -0.689
local terms energy: -495.823537
where:
bonds (distance) C4'-P energy: -102.180
bonds (distance) P-C4' energy: -86.611
flat angles C4'-P-C4' energy: -106.781
flat angles P-C4'-P energy: -65.620
tors. eta vs tors. theta energy: -134.631
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: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1129.536450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.536450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.536450 (E_RNA)
where:
Base-Base interactions energy: -660.452
where: short stacking energy: -424.475
Base-Backbone interact. energy: -1.116
local terms energy: -467.967774
where:
bonds (distance) C4'-P energy: -90.242
bonds (distance) P-C4' energy: -84.679
flat angles C4'-P-C4' energy: -96.034
flat angles P-C4'-P energy: -76.560
tors. eta vs tors. theta energy: -120.452
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: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1034.319459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.319459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.319459 (E_RNA)
where:
Base-Base interactions energy: -605.589
where: short stacking energy: -342.364
Base-Backbone interact. energy: -0.129
local terms energy: -428.602136
where:
bonds (distance) C4'-P energy: -94.091
bonds (distance) P-C4' energy: -79.721
flat angles C4'-P-C4' energy: -100.373
flat angles P-C4'-P energy: -61.729
tors. eta vs tors. theta energy: -92.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -822.399652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.399652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.399652 (E_RNA)
where:
Base-Base interactions energy: -436.650
where: short stacking energy: -291.836
Base-Backbone interact. energy: -1.450
local terms energy: -384.299977
where:
bonds (distance) C4'-P energy: -65.391
bonds (distance) P-C4' energy: -107.371
flat angles C4'-P-C4' energy: -95.867
flat angles P-C4'-P energy: -49.014
tors. eta vs tors. theta energy: -66.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -700.393159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.393159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.393159 (E_RNA)
where:
Base-Base interactions energy: -343.378
where: short stacking energy: -230.903
Base-Backbone interact. energy: -1.119
local terms energy: -355.895916
where:
bonds (distance) C4'-P energy: -93.566
bonds (distance) P-C4' energy: -87.935
flat angles C4'-P-C4' energy: -87.688
flat angles P-C4'-P energy: -40.869
tors. eta vs tors. theta energy: -45.838
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: 215
Temperature: 1.150000
Total energy: -565.775093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.775093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.775093 (E_RNA)
where:
Base-Base interactions energy: -247.943
where: short stacking energy: -186.927
Base-Backbone interact. energy: 0.620
local terms energy: -318.452250
where:
bonds (distance) C4'-P energy: -73.997
bonds (distance) P-C4' energy: -92.913
flat angles C4'-P-C4' energy: -79.072
flat angles P-C4'-P energy: -40.417
tors. eta vs tors. theta energy: -32.054
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: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -494.303368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.303368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.303368 (E_RNA)
where:
Base-Base interactions energy: -196.789
where: short stacking energy: -148.320
Base-Backbone interact. energy: 0.983
local terms energy: -298.497164
where:
bonds (distance) C4'-P energy: -79.589
bonds (distance) P-C4' energy: -78.204
flat angles C4'-P-C4' energy: -74.324
flat angles P-C4'-P energy: -53.031
tors. eta vs tors. theta energy: -13.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -429.545303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.545303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.545303 (E_RNA)
where:
Base-Base interactions energy: -165.408
where: short stacking energy: -134.463
Base-Backbone interact. energy: -1.692
local terms energy: -262.444530
where:
bonds (distance) C4'-P energy: -73.008
bonds (distance) P-C4' energy: -74.487
flat angles C4'-P-C4' energy: -58.447
flat angles P-C4'-P energy: -47.526
tors. eta vs tors. theta energy: -8.977
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: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -383.180271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.180271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.180271 (E_RNA)
where:
Base-Base interactions energy: -147.912
where: short stacking energy: -139.147
Base-Backbone interact. energy: 5.934
local terms energy: -241.202039
where:
bonds (distance) C4'-P energy: -63.124
bonds (distance) P-C4' energy: -79.315
flat angles C4'-P-C4' energy: -61.537
flat angles P-C4'-P energy: -44.756
tors. eta vs tors. theta energy: 7.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -373.218224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.218224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.218224 (E_RNA)
where:
Base-Base interactions energy: -138.805
where: short stacking energy: -112.515
Base-Backbone interact. energy: -0.690
local terms energy: -233.722717
where:
bonds (distance) C4'-P energy: -72.087
bonds (distance) P-C4' energy: -79.271
flat angles C4'-P-C4' energy: -52.265
flat angles P-C4'-P energy: -26.255
tors. eta vs tors. theta energy: -3.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1218.664183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.664183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.664183 (E_RNA)
where:
Base-Base interactions energy: -723.453
where: short stacking energy: -423.584
Base-Backbone interact. energy: -0.075
local terms energy: -495.135339
where:
bonds (distance) C4'-P energy: -84.413
bonds (distance) P-C4' energy: -105.579
flat angles C4'-P-C4' energy: -105.192
flat angles P-C4'-P energy: -71.859
tors. eta vs tors. theta energy: -128.093
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: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1140.142891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.142891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.142891 (E_RNA)
where:
Base-Base interactions energy: -662.711
where: short stacking energy: -414.626
Base-Backbone interact. energy: 0.508
local terms energy: -477.939964
where:
bonds (distance) C4'-P energy: -90.152
bonds (distance) P-C4' energy: -86.978
flat angles C4'-P-C4' energy: -106.860
flat angles P-C4'-P energy: -70.430
tors. eta vs tors. theta energy: -123.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1025.080615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.080615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.080615 (E_RNA)
where:
Base-Base interactions energy: -591.736
where: short stacking energy: -346.374
Base-Backbone interact. energy: -2.571
local terms energy: -430.774432
where:
bonds (distance) C4'-P energy: -93.056
bonds (distance) P-C4' energy: -86.801
flat angles C4'-P-C4' energy: -93.937
flat angles P-C4'-P energy: -62.186
tors. eta vs tors. theta energy: -94.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -821.601668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.601668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.601668 (E_RNA)
where:
Base-Base interactions energy: -430.808
where: short stacking energy: -264.219
Base-Backbone interact. energy: -0.578
local terms energy: -390.215590
where:
bonds (distance) C4'-P energy: -85.226
bonds (distance) P-C4' energy: -83.185
flat angles C4'-P-C4' energy: -93.302
flat angles P-C4'-P energy: -64.266
tors. eta vs tors. theta energy: -64.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -722.528325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.528325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.528325 (E_RNA)
where:
Base-Base interactions energy: -359.976
where: short stacking energy: -229.860
Base-Backbone interact. energy: 2.055
local terms energy: -364.606559
where:
bonds (distance) C4'-P energy: -90.341
bonds (distance) P-C4' energy: -92.114
flat angles C4'-P-C4' energy: -89.312
flat angles P-C4'-P energy: -48.075
tors. eta vs tors. theta energy: -44.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -572.741945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.741945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.741945 (E_RNA)
where:
Base-Base interactions energy: -247.161
where: short stacking energy: -169.326
Base-Backbone interact. energy: -1.509
local terms energy: -324.071300
where:
bonds (distance) C4'-P energy: -80.235
bonds (distance) P-C4' energy: -93.536
flat angles C4'-P-C4' energy: -77.536
flat angles P-C4'-P energy: -58.260
tors. eta vs tors. theta energy: -14.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -466.712465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.712465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.712465 (E_RNA)
where:
Base-Base interactions energy: -169.683
where: short stacking energy: -142.288
Base-Backbone interact. energy: 4.493
local terms energy: -301.522056
where:
bonds (distance) C4'-P energy: -81.025
bonds (distance) P-C4' energy: -91.054
flat angles C4'-P-C4' energy: -73.467
flat angles P-C4'-P energy: -42.565
tors. eta vs tors. theta energy: -13.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -431.267842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.267842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.267842 (E_RNA)
where:
Base-Base interactions energy: -143.030
where: short stacking energy: -127.789
Base-Backbone interact. energy: -1.258
local terms energy: -286.979427
where:
bonds (distance) C4'-P energy: -85.724
bonds (distance) P-C4' energy: -85.218
flat angles C4'-P-C4' energy: -68.355
flat angles P-C4'-P energy: -42.878
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: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -402.232322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.232322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.232322 (E_RNA)
where:
Base-Base interactions energy: -133.004
where: short stacking energy: -117.139
Base-Backbone interact. energy: 0.202
local terms energy: -269.430435
where:
bonds (distance) C4'-P energy: -83.556
bonds (distance) P-C4' energy: -82.789
flat angles C4'-P-C4' energy: -66.560
flat angles P-C4'-P energy: -27.636
tors. eta vs tors. theta energy: -8.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -360.869912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.869912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.869912 (E_RNA)
where:
Base-Base interactions energy: -127.361
where: short stacking energy: -122.444
Base-Backbone interact. energy: -1.029
local terms energy: -232.479946
where:
bonds (distance) C4'-P energy: -63.691
bonds (distance) P-C4' energy: -78.531
flat angles C4'-P-C4' energy: -68.697
flat angles P-C4'-P energy: -29.654
tors. eta vs tors. theta energy: 8.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1202.589314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.589314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.589314 (E_RNA)
where:
Base-Base interactions energy: -722.238
where: short stacking energy: -425.017
Base-Backbone interact. energy: -0.215
local terms energy: -480.135690
where:
bonds (distance) C4'-P energy: -84.801
bonds (distance) P-C4' energy: -101.498
flat angles C4'-P-C4' energy: -107.887
flat angles P-C4'-P energy: -63.641
tors. eta vs tors. theta energy: -122.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1127.815639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.815639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.815639 (E_RNA)
where:
Base-Base interactions energy: -648.947
where: short stacking energy: -405.197
Base-Backbone interact. energy: -0.173
local terms energy: -478.696034
where:
bonds (distance) C4'-P energy: -91.755
bonds (distance) P-C4' energy: -104.355
flat angles C4'-P-C4' energy: -93.780
flat angles P-C4'-P energy: -63.612
tors. eta vs tors. theta energy: -125.194
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: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -988.392808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.392808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.392808 (E_RNA)
where:
Base-Base interactions energy: -563.142
where: short stacking energy: -319.853
Base-Backbone interact. energy: -1.483
local terms energy: -423.767319
where:
bonds (distance) C4'-P energy: -88.908
bonds (distance) P-C4' energy: -94.481
flat angles C4'-P-C4' energy: -92.302
flat angles P-C4'-P energy: -61.997
tors. eta vs tors. theta energy: -86.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -825.239323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.239323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.239323 (E_RNA)
where:
Base-Base interactions energy: -444.198
where: short stacking energy: -301.121
Base-Backbone interact. energy: 0.225
local terms energy: -381.266332
where:
bonds (distance) C4'-P energy: -80.676
bonds (distance) P-C4' energy: -88.504
flat angles C4'-P-C4' energy: -85.415
flat angles P-C4'-P energy: -53.799
tors. eta vs tors. theta energy: -72.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -656.581609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.581609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.581609 (E_RNA)
where:
Base-Base interactions energy: -331.668
where: short stacking energy: -187.338
Base-Backbone interact. energy: -2.655
local terms energy: -322.259029
where:
bonds (distance) C4'-P energy: -70.827
bonds (distance) P-C4' energy: -90.345
flat angles C4'-P-C4' energy: -72.094
flat angles P-C4'-P energy: -53.220
tors. eta vs tors. theta energy: -35.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -563.476555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.476555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.476555 (E_RNA)
where:
Base-Base interactions energy: -253.391
where: short stacking energy: -180.317
Base-Backbone interact. energy: 0.160
local terms energy: -310.245692
where:
bonds (distance) C4'-P energy: -70.004
bonds (distance) P-C4' energy: -100.021
flat angles C4'-P-C4' energy: -65.907
flat angles P-C4'-P energy: -49.391
tors. eta vs tors. theta energy: -24.922
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: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -480.089747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.089747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.089747 (E_RNA)
where:
Base-Base interactions energy: -199.414
where: short stacking energy: -164.949
Base-Backbone interact. energy: 5.193
local terms energy: -285.868867
where:
bonds (distance) C4'-P energy: -87.132
bonds (distance) P-C4' energy: -73.093
flat angles C4'-P-C4' energy: -69.577
flat angles P-C4'-P energy: -44.960
tors. eta vs tors. theta energy: -11.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -427.738791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.738791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.738791 (E_RNA)
where:
Base-Base interactions energy: -173.081
where: short stacking energy: -147.366
Base-Backbone interact. energy: 3.162
local terms energy: -257.820159
where:
bonds (distance) C4'-P energy: -73.599
bonds (distance) P-C4' energy: -88.935
flat angles C4'-P-C4' energy: -65.123
flat angles P-C4'-P energy: -33.053
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: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -385.639405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.639405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.639405 (E_RNA)
where:
Base-Base interactions energy: -142.266
where: short stacking energy: -107.958
Base-Backbone interact. energy: 0.000
local terms energy: -243.373749
where:
bonds (distance) C4'-P energy: -71.145
bonds (distance) P-C4' energy: -79.889
flat angles C4'-P-C4' energy: -69.528
flat angles P-C4'-P energy: -38.316
tors. eta vs tors. theta energy: 15.505
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: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -370.664071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.664071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.664071 (E_RNA)
where:
Base-Base interactions energy: -110.859
where: short stacking energy: -96.696
Base-Backbone interact. energy: -1.190
local terms energy: -258.614674
where:
bonds (distance) C4'-P energy: -60.362
bonds (distance) P-C4' energy: -85.291
flat angles C4'-P-C4' energy: -65.331
flat angles P-C4'-P energy: -55.184
tors. eta vs tors. theta energy: 7.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1230.987912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.987912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.987912 (E_RNA)
where:
Base-Base interactions energy: -754.991
where: short stacking energy: -416.642
Base-Backbone interact. energy: -0.849
local terms energy: -475.147464
where:
bonds (distance) C4'-P energy: -80.524
bonds (distance) P-C4' energy: -97.648
flat angles C4'-P-C4' energy: -104.249
flat angles P-C4'-P energy: -69.563
tors. eta vs tors. theta energy: -123.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1071.367513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.367513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.367513 (E_RNA)
where:
Base-Base interactions energy: -605.070
where: short stacking energy: -384.540
Base-Backbone interact. energy: 0.802
local terms energy: -467.099679
where:
bonds (distance) C4'-P energy: -93.381
bonds (distance) P-C4' energy: -88.595
flat angles C4'-P-C4' energy: -102.530
flat angles P-C4'-P energy: -62.503
tors. eta vs tors. theta energy: -120.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -987.892688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.892688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.892688 (E_RNA)
where:
Base-Base interactions energy: -567.036
where: short stacking energy: -338.305
Base-Backbone interact. energy: -0.403
local terms energy: -420.453826
where:
bonds (distance) C4'-P energy: -89.210
bonds (distance) P-C4' energy: -90.261
flat angles C4'-P-C4' energy: -97.896
flat angles P-C4'-P energy: -63.733
tors. eta vs tors. theta energy: -79.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -809.375962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.375962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.375962 (E_RNA)
where:
Base-Base interactions energy: -439.231
where: short stacking energy: -264.642
Base-Backbone interact. energy: -1.991
local terms energy: -368.153286
where:
bonds (distance) C4'-P energy: -84.336
bonds (distance) P-C4' energy: -96.081
flat angles C4'-P-C4' energy: -82.513
flat angles P-C4'-P energy: -45.950
tors. eta vs tors. theta energy: -59.274
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: 5, replica: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -668.649027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.649027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.649027 (E_RNA)
where:
Base-Base interactions energy: -317.410
where: short stacking energy: -211.390
Base-Backbone interact. energy: 0.079
local terms energy: -351.317867
where:
bonds (distance) C4'-P energy: -83.941
bonds (distance) P-C4' energy: -89.178
flat angles C4'-P-C4' energy: -90.214
flat angles P-C4'-P energy: -51.273
tors. eta vs tors. theta energy: -36.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -543.174592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.174592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.174592 (E_RNA)
where:
Base-Base interactions energy: -246.298
where: short stacking energy: -189.382
Base-Backbone interact. energy: -0.226
local terms energy: -296.650103
where:
bonds (distance) C4'-P energy: -59.966
bonds (distance) P-C4' energy: -87.195
flat angles C4'-P-C4' energy: -79.478
flat angles P-C4'-P energy: -53.134
tors. eta vs tors. theta energy: -16.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -460.845695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.845695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.845695 (E_RNA)
where:
Base-Base interactions energy: -174.707
where: short stacking energy: -121.686
Base-Backbone interact. energy: -1.027
local terms energy: -285.111398
where:
bonds (distance) C4'-P energy: -91.927
bonds (distance) P-C4' energy: -86.323
flat angles C4'-P-C4' energy: -63.820
flat angles P-C4'-P energy: -41.467
tors. eta vs tors. theta energy: -1.574
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: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -399.033409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.033409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.033409 (E_RNA)
where:
Base-Base interactions energy: -126.136
where: short stacking energy: -118.582
Base-Backbone interact. energy: -0.504
local terms energy: -272.393924
where:
bonds (distance) C4'-P energy: -87.595
bonds (distance) P-C4' energy: -91.578
flat angles C4'-P-C4' energy: -73.039
flat angles P-C4'-P energy: -44.148
tors. eta vs tors. theta energy: 23.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -369.260679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.260679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.260679 (E_RNA)
where:
Base-Base interactions energy: -101.844
where: short stacking energy: -95.725
Base-Backbone interact. energy: -1.349
local terms energy: -266.066944
where:
bonds (distance) C4'-P energy: -76.665
bonds (distance) P-C4' energy: -87.566
flat angles C4'-P-C4' energy: -65.559
flat angles P-C4'-P energy: -50.914
tors. eta vs tors. theta energy: 14.637
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: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -352.518546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.518546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.518546 (E_RNA)
where:
Base-Base interactions energy: -135.150
where: short stacking energy: -113.325
Base-Backbone interact. energy: 2.604
local terms energy: -219.971967
where:
bonds (distance) C4'-P energy: -80.870
bonds (distance) P-C4' energy: -64.655
flat angles C4'-P-C4' energy: -48.503
flat angles P-C4'-P energy: -39.927
tors. eta vs tors. theta energy: 13.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1237.801852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.801852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.801852 (E_RNA)
where:
Base-Base interactions energy: -762.229
where: short stacking energy: -433.365
Base-Backbone interact. energy: -1.129
local terms energy: -474.443729
where:
bonds (distance) C4'-P energy: -82.107
bonds (distance) P-C4' energy: -91.781
flat angles C4'-P-C4' energy: -104.211
flat angles P-C4'-P energy: -64.103
tors. eta vs tors. theta energy: -132.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1116.735926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.735926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.735926 (E_RNA)
where:
Base-Base interactions energy: -645.888
where: short stacking energy: -384.732
Base-Backbone interact. energy: -1.345
local terms energy: -469.503105
where:
bonds (distance) C4'-P energy: -87.625
bonds (distance) P-C4' energy: -97.336
flat angles C4'-P-C4' energy: -99.791
flat angles P-C4'-P energy: -75.130
tors. eta vs tors. theta energy: -109.620
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: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1005.574419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.574419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.574419 (E_RNA)
where:
Base-Base interactions energy: -571.670
where: short stacking energy: -341.040
Base-Backbone interact. energy: 1.048
local terms energy: -434.952812
where:
bonds (distance) C4'-P energy: -88.477
bonds (distance) P-C4' energy: -96.000
flat angles C4'-P-C4' energy: -93.908
flat angles P-C4'-P energy: -63.026
tors. eta vs tors. theta energy: -93.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -790.926186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.926186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.926186 (E_RNA)
where:
Base-Base interactions energy: -431.261
where: short stacking energy: -271.086
Base-Backbone interact. energy: -1.120
local terms energy: -358.545238
where:
bonds (distance) C4'-P energy: -69.800
bonds (distance) P-C4' energy: -83.459
flat angles C4'-P-C4' energy: -96.401
flat angles P-C4'-P energy: -47.890
tors. eta vs tors. theta energy: -60.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -710.519704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.519704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.519704 (E_RNA)
where:
Base-Base interactions energy: -368.507
where: short stacking energy: -217.721
Base-Backbone interact. energy: -2.654
local terms energy: -339.358746
where:
bonds (distance) C4'-P energy: -74.474
bonds (distance) P-C4' energy: -85.626
flat angles C4'-P-C4' energy: -82.239
flat angles P-C4'-P energy: -46.849
tors. eta vs tors. theta energy: -50.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -577.559585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.559585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.559585 (E_RNA)
where:
Base-Base interactions energy: -252.466
where: short stacking energy: -159.917
Base-Backbone interact. energy: 1.393
local terms energy: -326.486685
where:
bonds (distance) C4'-P energy: -92.746
bonds (distance) P-C4' energy: -95.763
flat angles C4'-P-C4' energy: -80.564
flat angles P-C4'-P energy: -43.179
tors. eta vs tors. theta energy: -14.235
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: 1
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -512.437504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.437504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.437504 (E_RNA)
where:
Base-Base interactions energy: -215.756
where: short stacking energy: -177.776
Base-Backbone interact. energy: 2.087
local terms energy: -298.768285
where:
bonds (distance) C4'-P energy: -57.033
bonds (distance) P-C4' energy: -90.969
flat angles C4'-P-C4' energy: -82.677
flat angles P-C4'-P energy: -43.328
tors. eta vs tors. theta energy: -24.762
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: 219
Temperature: 1.250000
Total energy: -400.255290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.255290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.255290 (E_RNA)
where:
Base-Base interactions energy: -138.046
where: short stacking energy: -127.188
Base-Backbone interact. energy: -2.238
local terms energy: -259.970789
where:
bonds (distance) C4'-P energy: -56.475
bonds (distance) P-C4' energy: -90.433
flat angles C4'-P-C4' energy: -66.330
flat angles P-C4'-P energy: -46.120
tors. eta vs tors. theta energy: -0.613
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: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -370.971028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.971028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.971028 (E_RNA)
where:
Base-Base interactions energy: -145.367
where: short stacking energy: -116.004
Base-Backbone interact. energy: 6.917
local terms energy: -232.521442
where:
bonds (distance) C4'-P energy: -78.189
bonds (distance) P-C4' energy: -78.040
flat angles C4'-P-C4' energy: -52.959
flat angles P-C4'-P energy: -39.553
tors. eta vs tors. theta energy: 16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -362.460734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.460734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.460734 (E_RNA)
where:
Base-Base interactions energy: -112.810
where: short stacking energy: -97.702
Base-Backbone interact. energy: 4.718
local terms energy: -254.369219
where:
bonds (distance) C4'-P energy: -85.317
bonds (distance) P-C4' energy: -77.520
flat angles C4'-P-C4' energy: -68.599
flat angles P-C4'-P energy: -37.422
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: 1, replica: 6
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1245.208098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.208098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.208098 (E_RNA)
where:
Base-Base interactions energy: -749.675
where: short stacking energy: -427.996
Base-Backbone interact. energy: 0.305
local terms energy: -495.838456
where:
bonds (distance) C4'-P energy: -95.702
bonds (distance) P-C4' energy: -103.434
flat angles C4'-P-C4' energy: -105.175
flat angles P-C4'-P energy: -62.483
tors. eta vs tors. theta energy: -129.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1129.308331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.308331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.308331 (E_RNA)
where:
Base-Base interactions energy: -665.871
where: short stacking energy: -404.593
Base-Backbone interact. energy: -1.171
local terms energy: -462.266873
where:
bonds (distance) C4'-P energy: -88.295
bonds (distance) P-C4' energy: -86.644
flat angles C4'-P-C4' energy: -105.097
flat angles P-C4'-P energy: -69.097
tors. eta vs tors. theta energy: -113.134
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: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1008.090690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.090690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.090690 (E_RNA)
where:
Base-Base interactions energy: -600.753
where: short stacking energy: -349.840
Base-Backbone interact. energy: 0.190
local terms energy: -407.528285
where:
bonds (distance) C4'-P energy: -88.189
bonds (distance) P-C4' energy: -82.941
flat angles C4'-P-C4' energy: -90.094
flat angles P-C4'-P energy: -54.066
tors. eta vs tors. theta energy: -92.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -801.467927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.467927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.467927 (E_RNA)
where:
Base-Base interactions energy: -422.300
where: short stacking energy: -270.766
Base-Backbone interact. energy: -0.766
local terms energy: -378.401715
where:
bonds (distance) C4'-P energy: -82.466
bonds (distance) P-C4' energy: -88.376
flat angles C4'-P-C4' energy: -84.501
flat angles P-C4'-P energy: -60.637
tors. eta vs tors. theta energy: -62.420
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: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -748.270161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.270161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.270161 (E_RNA)
where:
Base-Base interactions energy: -396.282
where: short stacking energy: -254.995
Base-Backbone interact. energy: -1.591
local terms energy: -350.397168
where:
bonds (distance) C4'-P energy: -74.791
bonds (distance) P-C4' energy: -90.840
flat angles C4'-P-C4' energy: -73.768
flat angles P-C4'-P energy: -55.275
tors. eta vs tors. theta energy: -55.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -572.871457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.871457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.871457 (E_RNA)
where:
Base-Base interactions energy: -252.473
where: short stacking energy: -168.717
Base-Backbone interact. energy: 0.236
local terms energy: -320.634719
where:
bonds (distance) C4'-P energy: -74.332
bonds (distance) P-C4' energy: -96.185
flat angles C4'-P-C4' energy: -87.084
flat angles P-C4'-P energy: -44.429
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -470.308045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.308045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.308045 (E_RNA)
where:
Base-Base interactions energy: -184.992
where: short stacking energy: -143.833
Base-Backbone interact. energy: 0.068
local terms energy: -285.383967
where:
bonds (distance) C4'-P energy: -84.356
bonds (distance) P-C4' energy: -70.245
flat angles C4'-P-C4' energy: -89.533
flat angles P-C4'-P energy: -39.634
tors. eta vs tors. theta energy: -1.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -415.389107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.389107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.389107 (E_RNA)
where:
Base-Base interactions energy: -125.846
where: short stacking energy: -107.143
Base-Backbone interact. energy: -0.259
local terms energy: -289.284635
where:
bonds (distance) C4'-P energy: -67.606
bonds (distance) P-C4' energy: -95.791
flat angles C4'-P-C4' energy: -63.520
flat angles P-C4'-P energy: -53.675
tors. eta vs tors. theta energy: -8.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -372.470486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.470486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.470486 (E_RNA)
where:
Base-Base interactions energy: -113.289
where: short stacking energy: -103.158
Base-Backbone interact. energy: -0.970
local terms energy: -258.211214
where:
bonds (distance) C4'-P energy: -85.612
bonds (distance) P-C4' energy: -86.812
flat angles C4'-P-C4' energy: -71.125
flat angles P-C4'-P energy: -33.790
tors. eta vs tors. theta energy: 19.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -364.427965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.427965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.427965 (E_RNA)
where:
Base-Base interactions energy: -132.090
where: short stacking energy: -116.417
Base-Backbone interact. energy: 2.873
local terms energy: -235.211252
where:
bonds (distance) C4'-P energy: -52.358
bonds (distance) P-C4' energy: -76.489
flat angles C4'-P-C4' energy: -52.433
flat angles P-C4'-P energy: -47.526
tors. eta vs tors. theta energy: -6.404
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: 6
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1261.854096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.854096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.854096 (E_RNA)
where:
Base-Base interactions energy: -770.440
where: short stacking energy: -441.040
Base-Backbone interact. energy: 0.369
local terms energy: -491.783829
where:
bonds (distance) C4'-P energy: -95.142
bonds (distance) P-C4' energy: -92.911
flat angles C4'-P-C4' energy: -107.413
flat angles P-C4'-P energy: -65.074
tors. eta vs tors. theta energy: -131.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1096.397268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.397268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.397268 (E_RNA)
where:
Base-Base interactions energy: -644.390
where: short stacking energy: -385.377
Base-Backbone interact. energy: -1.325
local terms energy: -450.682054
where:
bonds (distance) C4'-P energy: -87.578
bonds (distance) P-C4' energy: -100.166
flat angles C4'-P-C4' energy: -98.046
flat angles P-C4'-P energy: -45.852
tors. eta vs tors. theta energy: -119.039
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: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -999.990504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.990504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.990504 (E_RNA)
where:
Base-Base interactions energy: -605.772
where: short stacking energy: -344.101
Base-Backbone interact. energy: -0.602
local terms energy: -393.616705
where:
bonds (distance) C4'-P energy: -89.555
bonds (distance) P-C4' energy: -83.187
flat angles C4'-P-C4' energy: -92.084
flat angles P-C4'-P energy: -54.357
tors. eta vs tors. theta energy: -74.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -784.693766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.693766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.693766 (E_RNA)
where:
Base-Base interactions energy: -405.856
where: short stacking energy: -260.374
Base-Backbone interact. energy: -1.289
local terms energy: -377.549134
where:
bonds (distance) C4'-P energy: -79.900
bonds (distance) P-C4' energy: -92.891
flat angles C4'-P-C4' energy: -84.362
flat angles P-C4'-P energy: -60.771
tors. eta vs tors. theta energy: -59.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -687.694917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.694917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.694917 (E_RNA)
where:
Base-Base interactions energy: -338.560
where: short stacking energy: -201.593
Base-Backbone interact. energy: -1.667
local terms energy: -347.468115
where:
bonds (distance) C4'-P energy: -75.435
bonds (distance) P-C4' energy: -100.957
flat angles C4'-P-C4' energy: -85.513
flat angles P-C4'-P energy: -44.626
tors. eta vs tors. theta energy: -40.937
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: 6, replica: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -570.150012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.150012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.150012 (E_RNA)
where:
Base-Base interactions energy: -248.279
where: short stacking energy: -182.929
Base-Backbone interact. energy: -0.933
local terms energy: -320.937639
where:
bonds (distance) C4'-P energy: -82.277
bonds (distance) P-C4' energy: -90.417
flat angles C4'-P-C4' energy: -75.179
flat angles P-C4'-P energy: -48.621
tors. eta vs tors. theta energy: -24.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -433.180953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.180953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.180953 (E_RNA)
where:
Base-Base interactions energy: -179.899
where: short stacking energy: -151.690
Base-Backbone interact. energy: 1.294
local terms energy: -254.576234
where:
bonds (distance) C4'-P energy: -80.901
bonds (distance) P-C4' energy: -76.302
flat angles C4'-P-C4' energy: -68.976
flat angles P-C4'-P energy: -21.541
tors. eta vs tors. theta energy: -6.857
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: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -433.251437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.251437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.251437 (E_RNA)
where:
Base-Base interactions energy: -143.274
where: short stacking energy: -139.639
Base-Backbone interact. energy: -0.684
local terms energy: -289.293679
where:
bonds (distance) C4'-P energy: -90.650
bonds (distance) P-C4' energy: -84.937
flat angles C4'-P-C4' energy: -59.753
flat angles P-C4'-P energy: -39.253
tors. eta vs tors. theta energy: -14.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -387.050204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.050204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.050204 (E_RNA)
where:
Base-Base interactions energy: -163.773
where: short stacking energy: -130.059
Base-Backbone interact. energy: 5.020
local terms energy: -228.296987
where:
bonds (distance) C4'-P energy: -68.264
bonds (distance) P-C4' energy: -72.486
flat angles C4'-P-C4' energy: -56.349
flat angles P-C4'-P energy: -31.991
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: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -351.456556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.456556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.456556 (E_RNA)
where:
Base-Base interactions energy: -127.772
where: short stacking energy: -88.416
Base-Backbone interact. energy: -0.279
local terms energy: -223.405494
where:
bonds (distance) C4'-P energy: -72.929
bonds (distance) P-C4' energy: -74.594
flat angles C4'-P-C4' energy: -65.871
flat angles P-C4'-P energy: -26.259
tors. eta vs tors. theta energy: 16.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1248.045177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.045177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.045177 (E_RNA)
where:
Base-Base interactions energy: -736.004
where: short stacking energy: -421.578
Base-Backbone interact. energy: 1.049
local terms energy: -513.090414
where:
bonds (distance) C4'-P energy: -99.064
bonds (distance) P-C4' energy: -96.420
flat angles C4'-P-C4' energy: -107.626
flat angles P-C4'-P energy: -73.643
tors. eta vs tors. theta energy: -136.338
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: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1101.789506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.789506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.789506 (E_RNA)
where:
Base-Base interactions energy: -639.852
where: short stacking energy: -399.917
Base-Backbone interact. energy: -0.652
local terms energy: -461.285107
where:
bonds (distance) C4'-P energy: -77.855
bonds (distance) P-C4' energy: -93.874
flat angles C4'-P-C4' energy: -102.453
flat angles P-C4'-P energy: -59.458
tors. eta vs tors. theta energy: -127.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -981.807365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.807365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.807365 (E_RNA)
where:
Base-Base interactions energy: -551.694
where: short stacking energy: -323.672
Base-Backbone interact. energy: 0.929
local terms energy: -431.042573
where:
bonds (distance) C4'-P energy: -82.977
bonds (distance) P-C4' energy: -96.176
flat angles C4'-P-C4' energy: -101.930
flat angles P-C4'-P energy: -73.493
tors. eta vs tors. theta energy: -76.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -798.493756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.493756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.493756 (E_RNA)
where:
Base-Base interactions energy: -448.263
where: short stacking energy: -275.341
Base-Backbone interact. energy: 1.097
local terms energy: -351.327342
where:
bonds (distance) C4'-P energy: -83.806
bonds (distance) P-C4' energy: -86.313
flat angles C4'-P-C4' energy: -90.862
flat angles P-C4'-P energy: -41.450
tors. eta vs tors. theta energy: -48.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -651.168384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.168384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.168384 (E_RNA)
where:
Base-Base interactions energy: -318.905
where: short stacking energy: -179.911
Base-Backbone interact. energy: 1.134
local terms energy: -333.398000
where:
bonds (distance) C4'-P energy: -81.271
bonds (distance) P-C4' energy: -84.567
flat angles C4'-P-C4' energy: -84.241
flat angles P-C4'-P energy: -58.384
tors. eta vs tors. theta energy: -24.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -552.980984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.980984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.980984 (E_RNA)
where:
Base-Base interactions energy: -250.059
where: short stacking energy: -182.010
Base-Backbone interact. energy: -0.072
local terms energy: -302.850159
where:
bonds (distance) C4'-P energy: -69.919
bonds (distance) P-C4' energy: -81.327
flat angles C4'-P-C4' energy: -77.102
flat angles P-C4'-P energy: -48.797
tors. eta vs tors. theta energy: -25.705
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: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -458.811175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.811175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.811175 (E_RNA)
where:
Base-Base interactions energy: -177.250
where: short stacking energy: -153.906
Base-Backbone interact. energy: -0.798
local terms energy: -280.763270
where:
bonds (distance) C4'-P energy: -82.821
bonds (distance) P-C4' energy: -81.359
flat angles C4'-P-C4' energy: -66.447
flat angles P-C4'-P energy: -41.320
tors. eta vs tors. theta energy: -8.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -418.384046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.384046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.384046 (E_RNA)
where:
Base-Base interactions energy: -152.494
where: short stacking energy: -148.656
Base-Backbone interact. energy: 1.380
local terms energy: -267.269610
where:
bonds (distance) C4'-P energy: -64.345
bonds (distance) P-C4' energy: -91.277
flat angles C4'-P-C4' energy: -67.447
flat angles P-C4'-P energy: -37.982
tors. eta vs tors. theta energy: -6.218
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: 5
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -392.066636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.066636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.066636 (E_RNA)
where:
Base-Base interactions energy: -154.692
where: short stacking energy: -133.048
Base-Backbone interact. energy: 1.686
local terms energy: -239.060466
where:
bonds (distance) C4'-P energy: -74.652
bonds (distance) P-C4' energy: -71.077
flat angles C4'-P-C4' energy: -50.189
flat angles P-C4'-P energy: -40.573
tors. eta vs tors. theta energy: -2.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -349.679625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.679625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.679625 (E_RNA)
where:
Base-Base interactions energy: -116.079
where: short stacking energy: -91.421
Base-Backbone interact. energy: -0.131
local terms energy: -233.469499
where:
bonds (distance) C4'-P energy: -70.325
bonds (distance) P-C4' energy: -78.016
flat angles C4'-P-C4' energy: -62.264
flat angles P-C4'-P energy: -29.890
tors. eta vs tors. theta energy: 7.026
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: 1, replica: 6
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1211.863742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.863742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.863742 (E_RNA)
where:
Base-Base interactions energy: -734.615
where: short stacking energy: -433.571
Base-Backbone interact. energy: 0.612
local terms energy: -477.860971
where:
bonds (distance) C4'-P energy: -86.625
bonds (distance) P-C4' energy: -90.116
flat angles C4'-P-C4' energy: -104.663
flat angles P-C4'-P energy: -66.959
tors. eta vs tors. theta energy: -129.497
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: 223
Temperature: 0.950000
Total energy: -1120.444827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.444827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.444827 (E_RNA)
where:
Base-Base interactions energy: -640.297
where: short stacking energy: -410.153
Base-Backbone interact. energy: -0.202
local terms energy: -479.945588
where:
bonds (distance) C4'-P energy: -93.439
bonds (distance) P-C4' energy: -88.848
flat angles C4'-P-C4' energy: -100.790
flat angles P-C4'-P energy: -74.546
tors. eta vs tors. theta energy: -122.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1003.403572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.403572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.403572 (E_RNA)
where:
Base-Base interactions energy: -588.635
where: short stacking energy: -350.328
Base-Backbone interact. energy: -2.819
local terms energy: -411.950054
where:
bonds (distance) C4'-P energy: -68.272
bonds (distance) P-C4' energy: -97.133
flat angles C4'-P-C4' energy: -86.345
flat angles P-C4'-P energy: -64.498
tors. eta vs tors. theta energy: -95.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -776.610550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.610550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.610550 (E_RNA)
where:
Base-Base interactions energy: -405.150
where: short stacking energy: -261.628
Base-Backbone interact. energy: -0.072
local terms energy: -371.387880
where:
bonds (distance) C4'-P energy: -84.239
bonds (distance) P-C4' energy: -84.730
flat angles C4'-P-C4' energy: -83.283
flat angles P-C4'-P energy: -64.384
tors. eta vs tors. theta energy: -54.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -653.024187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.024187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.024187 (E_RNA)
where:
Base-Base interactions energy: -296.020
where: short stacking energy: -219.878
Base-Backbone interact. energy: 1.974
local terms energy: -358.977460
where:
bonds (distance) C4'-P energy: -77.006
bonds (distance) P-C4' energy: -88.802
flat angles C4'-P-C4' energy: -71.009
flat angles P-C4'-P energy: -62.363
tors. eta vs tors. theta energy: -59.797
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: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -577.437856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.437856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.437856 (E_RNA)
where:
Base-Base interactions energy: -262.722
where: short stacking energy: -186.779
Base-Backbone interact. energy: -1.775
local terms energy: -312.940374
where:
bonds (distance) C4'-P energy: -93.137
bonds (distance) P-C4' energy: -71.991
flat angles C4'-P-C4' energy: -83.642
flat angles P-C4'-P energy: -44.939
tors. eta vs tors. theta energy: -19.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -439.047006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.047006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.047006 (E_RNA)
where:
Base-Base interactions energy: -159.238
where: short stacking energy: -140.334
Base-Backbone interact. energy: 0.534
local terms energy: -280.343230
where:
bonds (distance) C4'-P energy: -79.622
bonds (distance) P-C4' energy: -88.609
flat angles C4'-P-C4' energy: -75.796
flat angles P-C4'-P energy: -43.823
tors. eta vs tors. theta energy: 7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -420.278238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.278238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.278238 (E_RNA)
where:
Base-Base interactions energy: -136.139
where: short stacking energy: -126.075
Base-Backbone interact. energy: -0.949
local terms energy: -283.189846
where:
bonds (distance) C4'-P energy: -85.746
bonds (distance) P-C4' energy: -72.496
flat angles C4'-P-C4' energy: -73.419
flat angles P-C4'-P energy: -45.927
tors. eta vs tors. theta energy: -5.602
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: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -370.772839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.772839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.772839 (E_RNA)
where:
Base-Base interactions energy: -116.962
where: short stacking energy: -111.968
Base-Backbone interact. energy: 0.329
local terms energy: -254.139726
where:
bonds (distance) C4'-P energy: -73.744
bonds (distance) P-C4' energy: -93.388
flat angles C4'-P-C4' energy: -68.845
flat angles P-C4'-P energy: -44.138
tors. eta vs tors. theta energy: 25.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -382.681161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.681161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.681161 (E_RNA)
where:
Base-Base interactions energy: -143.472
where: short stacking energy: -117.033
Base-Backbone interact. energy: 1.881
local terms energy: -241.089767
where:
bonds (distance) C4'-P energy: -84.074
bonds (distance) P-C4' energy: -70.668
flat angles C4'-P-C4' energy: -70.741
flat angles P-C4'-P energy: -26.768
tors. eta vs tors. theta energy: 11.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1195.225007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.225007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.225007 (E_RNA)
where:
Base-Base interactions energy: -700.992
where: short stacking energy: -408.784
Base-Backbone interact. energy: -1.769
local terms energy: -492.463584
where:
bonds (distance) C4'-P energy: -90.747
bonds (distance) P-C4' energy: -98.846
flat angles C4'-P-C4' energy: -111.302
flat angles P-C4'-P energy: -67.037
tors. eta vs tors. theta energy: -124.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1153.336059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.336059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.336059 (E_RNA)
where:
Base-Base interactions energy: -662.181
where: short stacking energy: -437.599
Base-Backbone interact. energy: -0.647
local terms energy: -490.508009
where:
bonds (distance) C4'-P energy: -97.460
bonds (distance) P-C4' energy: -86.651
flat angles C4'-P-C4' energy: -103.072
flat angles P-C4'-P energy: -65.453
tors. eta vs tors. theta energy: -137.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1030.689145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.689145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.689145 (E_RNA)
where:
Base-Base interactions energy: -597.682
where: short stacking energy: -348.536
Base-Backbone interact. energy: -0.228
local terms energy: -432.778984
where:
bonds (distance) C4'-P energy: -89.355
bonds (distance) P-C4' energy: -85.538
flat angles C4'-P-C4' energy: -99.138
flat angles P-C4'-P energy: -69.605
tors. eta vs tors. theta energy: -89.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -757.946011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.946011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.946011 (E_RNA)
where:
Base-Base interactions energy: -383.927
where: short stacking energy: -223.156
Base-Backbone interact. energy: -2.014
local terms energy: -372.004510
where:
bonds (distance) C4'-P energy: -87.977
bonds (distance) P-C4' energy: -95.704
flat angles C4'-P-C4' energy: -89.233
flat angles P-C4'-P energy: -56.263
tors. eta vs tors. theta energy: -42.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -689.418238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.418238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.418238 (E_RNA)
where:
Base-Base interactions energy: -351.986
where: short stacking energy: -232.221
Base-Backbone interact. energy: -1.795
local terms energy: -335.637499
where:
bonds (distance) C4'-P energy: -79.699
bonds (distance) P-C4' energy: -77.863
flat angles C4'-P-C4' energy: -83.113
flat angles P-C4'-P energy: -42.070
tors. eta vs tors. theta energy: -52.892
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: 6, replica: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -547.993571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.993571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.993571 (E_RNA)
where:
Base-Base interactions energy: -232.468
where: short stacking energy: -166.969
Base-Backbone interact. energy: -0.740
local terms energy: -314.785977
where:
bonds (distance) C4'-P energy: -77.611
bonds (distance) P-C4' energy: -81.220
flat angles C4'-P-C4' energy: -90.528
flat angles P-C4'-P energy: -45.705
tors. eta vs tors. theta energy: -19.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -498.546434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.546434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.546434 (E_RNA)
where:
Base-Base interactions energy: -216.865
where: short stacking energy: -130.987
Base-Backbone interact. energy: -0.602
local terms energy: -281.079668
where:
bonds (distance) C4'-P energy: -73.159
bonds (distance) P-C4' energy: -75.946
flat angles C4'-P-C4' energy: -85.621
flat angles P-C4'-P energy: -37.735
tors. eta vs tors. theta energy: -8.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -400.233954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.233954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.233954 (E_RNA)
where:
Base-Base interactions energy: -121.677
where: short stacking energy: -114.430
Base-Backbone interact. energy: -0.154
local terms energy: -278.402057
where:
bonds (distance) C4'-P energy: -70.914
bonds (distance) P-C4' energy: -91.010
flat angles C4'-P-C4' energy: -72.145
flat angles P-C4'-P energy: -49.262
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: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -366.320989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.320989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.320989 (E_RNA)
where:
Base-Base interactions energy: -111.779
where: short stacking energy: -97.086
Base-Backbone interact. energy: -1.849
local terms energy: -252.693321
where:
bonds (distance) C4'-P energy: -78.935
bonds (distance) P-C4' energy: -76.285
flat angles C4'-P-C4' energy: -70.573
flat angles P-C4'-P energy: -45.353
tors. eta vs tors. theta energy: 18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -349.052018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.052018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.052018 (E_RNA)
where:
Base-Base interactions energy: -99.554
where: short stacking energy: -71.469
Base-Backbone interact. energy: 0.913
local terms energy: -250.410880
where:
bonds (distance) C4'-P energy: -71.399
bonds (distance) P-C4' energy: -81.675
flat angles C4'-P-C4' energy: -66.176
flat angles P-C4'-P energy: -49.213
tors. eta vs tors. theta energy: 18.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1220.028232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.028232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.028232 (E_RNA)
where:
Base-Base interactions energy: -725.042
where: short stacking energy: -437.810
Base-Backbone interact. energy: -2.363
local terms energy: -492.623502
where:
bonds (distance) C4'-P energy: -93.472
bonds (distance) P-C4' energy: -92.858
flat angles C4'-P-C4' energy: -103.636
flat angles P-C4'-P energy: -71.821
tors. eta vs tors. theta energy: -130.835
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: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1126.302619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.302619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.302619 (E_RNA)
where:
Base-Base interactions energy: -651.578
where: short stacking energy: -427.193
Base-Backbone interact. energy: -1.157
local terms energy: -473.567132
where:
bonds (distance) C4'-P energy: -87.583
bonds (distance) P-C4' energy: -97.767
flat angles C4'-P-C4' energy: -100.967
flat angles P-C4'-P energy: -63.283
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: 3, replica: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -990.532866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.532866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.532866 (E_RNA)
where:
Base-Base interactions energy: -575.829
where: short stacking energy: -319.637
Base-Backbone interact. energy: -0.937
local terms energy: -413.766972
where:
bonds (distance) C4'-P energy: -88.831
bonds (distance) P-C4' energy: -90.770
flat angles C4'-P-C4' energy: -90.946
flat angles P-C4'-P energy: -62.837
tors. eta vs tors. theta energy: -80.383
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: 7
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -789.003324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.003324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.003324 (E_RNA)
where:
Base-Base interactions energy: -410.236
where: short stacking energy: -291.523
Base-Backbone interact. energy: 0.972
local terms energy: -379.738538
where:
bonds (distance) C4'-P energy: -79.308
bonds (distance) P-C4' energy: -83.949
flat angles C4'-P-C4' energy: -86.432
flat angles P-C4'-P energy: -57.806
tors. eta vs tors. theta energy: -72.244
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: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -680.447896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.447896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.447896 (E_RNA)
where:
Base-Base interactions energy: -341.414
where: short stacking energy: -226.892
Base-Backbone interact. energy: 0.462
local terms energy: -339.496101
where:
bonds (distance) C4'-P energy: -89.150
bonds (distance) P-C4' energy: -77.441
flat angles C4'-P-C4' energy: -85.023
flat angles P-C4'-P energy: -54.358
tors. eta vs tors. theta energy: -33.524
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: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -578.452240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.452240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.452240 (E_RNA)
where:
Base-Base interactions energy: -250.298
where: short stacking energy: -185.642
Base-Backbone interact. energy: 3.869
local terms energy: -332.023522
where:
bonds (distance) C4'-P energy: -79.054
bonds (distance) P-C4' energy: -99.020
flat angles C4'-P-C4' energy: -72.543
flat angles P-C4'-P energy: -47.812
tors. eta vs tors. theta energy: -33.594
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: 7, replica: 1
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -527.294165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.294165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.294165 (E_RNA)
where:
Base-Base interactions energy: -224.603
where: short stacking energy: -152.924
Base-Backbone interact. energy: 1.612
local terms energy: -304.302564
where:
bonds (distance) C4'-P energy: -88.546
bonds (distance) P-C4' energy: -88.666
flat angles C4'-P-C4' energy: -77.456
flat angles P-C4'-P energy: -34.616
tors. eta vs tors. theta energy: -15.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -414.592846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.592846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.592846 (E_RNA)
where:
Base-Base interactions energy: -156.900
where: short stacking energy: -142.344
Base-Backbone interact. energy: 1.532
local terms energy: -259.225015
where:
bonds (distance) C4'-P energy: -60.766
bonds (distance) P-C4' energy: -89.199
flat angles C4'-P-C4' energy: -67.987
flat angles P-C4'-P energy: -48.748
tors. eta vs tors. theta energy: 7.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -391.572283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.572283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.572283 (E_RNA)
where:
Base-Base interactions energy: -126.844
where: short stacking energy: -114.304
Base-Backbone interact. energy: -0.614
local terms energy: -264.114631
where:
bonds (distance) C4'-P energy: -80.707
bonds (distance) P-C4' energy: -81.805
flat angles C4'-P-C4' energy: -63.005
flat angles P-C4'-P energy: -39.961
tors. eta vs tors. theta energy: 1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -354.810046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.810046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.810046 (E_RNA)
where:
Base-Base interactions energy: -122.027
where: short stacking energy: -107.682
Base-Backbone interact. energy: -2.446
local terms energy: -230.337214
where:
bonds (distance) C4'-P energy: -72.158
bonds (distance) P-C4' energy: -66.821
flat angles C4'-P-C4' energy: -73.270
flat angles P-C4'-P energy: -39.683
tors. eta vs tors. theta energy: 21.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1165.226984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.226984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.226984 (E_RNA)
where:
Base-Base interactions energy: -686.349
where: short stacking energy: -398.045
Base-Backbone interact. energy: -0.830
local terms energy: -478.047861
where:
bonds (distance) C4'-P energy: -92.527
bonds (distance) P-C4' energy: -98.455
flat angles C4'-P-C4' energy: -103.155
flat angles P-C4'-P energy: -67.535
tors. eta vs tors. theta energy: -116.375
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: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1123.448801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.448801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.448801 (E_RNA)
where:
Base-Base interactions energy: -649.572
where: short stacking energy: -425.451
Base-Backbone interact. energy: -0.386
local terms energy: -473.490149
where:
bonds (distance) C4'-P energy: -89.699
bonds (distance) P-C4' energy: -95.587
flat angles C4'-P-C4' energy: -103.542
flat angles P-C4'-P energy: -59.492
tors. eta vs tors. theta energy: -125.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -982.853386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.853386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.853386 (E_RNA)
where:
Base-Base interactions energy: -557.396
where: short stacking energy: -297.656
Base-Backbone interact. energy: -3.398
local terms energy: -422.059671
where:
bonds (distance) C4'-P energy: -92.518
bonds (distance) P-C4' energy: -107.247
flat angles C4'-P-C4' energy: -87.889
flat angles P-C4'-P energy: -55.581
tors. eta vs tors. theta energy: -78.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -819.128955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.128955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.128955 (E_RNA)
where:
Base-Base interactions energy: -448.338
where: short stacking energy: -266.127
Base-Backbone interact. energy: -2.221
local terms energy: -368.570194
where:
bonds (distance) C4'-P energy: -88.589
bonds (distance) P-C4' energy: -81.770
flat angles C4'-P-C4' energy: -88.520
flat angles P-C4'-P energy: -54.015
tors. eta vs tors. theta energy: -55.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -683.973503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.973503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.973503 (E_RNA)
where:
Base-Base interactions energy: -351.150
where: short stacking energy: -227.548
Base-Backbone interact. energy: -0.265
local terms energy: -332.558122
where:
bonds (distance) C4'-P energy: -71.058
bonds (distance) P-C4' energy: -93.478
flat angles C4'-P-C4' energy: -77.453
flat angles P-C4'-P energy: -55.493
tors. eta vs tors. theta energy: -35.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -573.561859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.561859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.561859 (E_RNA)
where:
Base-Base interactions energy: -228.307
where: short stacking energy: -150.688
Base-Backbone interact. energy: -1.748
local terms energy: -343.506670
where:
bonds (distance) C4'-P energy: -92.026
bonds (distance) P-C4' energy: -82.019
flat angles C4'-P-C4' energy: -89.686
flat angles P-C4'-P energy: -58.570
tors. eta vs tors. theta energy: -21.206
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: 7, replica: 1
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -534.310923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.310923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.310923 (E_RNA)
where:
Base-Base interactions energy: -242.066
where: short stacking energy: -169.863
Base-Backbone interact. energy: 0.695
local terms energy: -292.940136
where:
bonds (distance) C4'-P energy: -71.130
bonds (distance) P-C4' energy: -93.225
flat angles C4'-P-C4' energy: -86.118
flat angles P-C4'-P energy: -35.862
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: 8, replica: 9
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -407.371158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.371158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.371158 (E_RNA)
where:
Base-Base interactions energy: -140.437
where: short stacking energy: -115.530
Base-Backbone interact. energy: -0.389
local terms energy: -266.545643
where:
bonds (distance) C4'-P energy: -72.337
bonds (distance) P-C4' energy: -82.230
flat angles C4'-P-C4' energy: -66.050
flat angles P-C4'-P energy: -41.828
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -374.403431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.403431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.403431 (E_RNA)
where:
Base-Base interactions energy: -123.061
where: short stacking energy: -92.076
Base-Backbone interact. energy: 2.688
local terms energy: -254.030194
where:
bonds (distance) C4'-P energy: -82.179
bonds (distance) P-C4' energy: -83.025
flat angles C4'-P-C4' energy: -64.838
flat angles P-C4'-P energy: -46.441
tors. eta vs tors. theta energy: 22.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -337.851450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.851450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.851450 (E_RNA)
where:
Base-Base interactions energy: -100.918
where: short stacking energy: -83.723
Base-Backbone interact. energy: -1.328
local terms energy: -235.605962
where:
bonds (distance) C4'-P energy: -84.316
bonds (distance) P-C4' energy: -61.821
flat angles C4'-P-C4' energy: -62.415
flat angles P-C4'-P energy: -44.980
tors. eta vs tors. theta energy: 17.926
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: 6
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1191.155639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.155639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.155639 (E_RNA)
where:
Base-Base interactions energy: -699.799
where: short stacking energy: -384.419
Base-Backbone interact. energy: -1.439
local terms energy: -489.918502
where:
bonds (distance) C4'-P energy: -104.103
bonds (distance) P-C4' energy: -88.905
flat angles C4'-P-C4' energy: -102.418
flat angles P-C4'-P energy: -78.459
tors. eta vs tors. theta energy: -116.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1124.952525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.952525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.952525 (E_RNA)
where:
Base-Base interactions energy: -637.332
where: short stacking energy: -381.520
Base-Backbone interact. energy: -0.981
local terms energy: -486.638633
where:
bonds (distance) C4'-P energy: -93.745
bonds (distance) P-C4' energy: -102.039
flat angles C4'-P-C4' energy: -107.784
flat angles P-C4'-P energy: -68.045
tors. eta vs tors. theta energy: -115.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -953.393626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.393626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.393626 (E_RNA)
where:
Base-Base interactions energy: -537.070
where: short stacking energy: -296.049
Base-Backbone interact. energy: -0.997
local terms energy: -415.326628
where:
bonds (distance) C4'-P energy: -83.292
bonds (distance) P-C4' energy: -98.874
flat angles C4'-P-C4' energy: -91.469
flat angles P-C4'-P energy: -66.329
tors. eta vs tors. theta energy: -75.363
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: 4, replica: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -786.321433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.321433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.321433 (E_RNA)
where:
Base-Base interactions energy: -429.425
where: short stacking energy: -270.826
Base-Backbone interact. energy: 2.374
local terms energy: -359.270312
where:
bonds (distance) C4'-P energy: -79.782
bonds (distance) P-C4' energy: -89.623
flat angles C4'-P-C4' energy: -89.809
flat angles P-C4'-P energy: -51.666
tors. eta vs tors. theta energy: -48.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -689.949198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.949198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.949198 (E_RNA)
where:
Base-Base interactions energy: -353.065
where: short stacking energy: -234.101
Base-Backbone interact. energy: -1.914
local terms energy: -334.970737
where:
bonds (distance) C4'-P energy: -84.162
bonds (distance) P-C4' energy: -87.415
flat angles C4'-P-C4' energy: -87.475
flat angles P-C4'-P energy: -35.046
tors. eta vs tors. theta energy: -40.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -529.496120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.496120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.496120 (E_RNA)
where:
Base-Base interactions energy: -247.110
where: short stacking energy: -174.311
Base-Backbone interact. energy: 1.248
local terms energy: -283.634143
where:
bonds (distance) C4'-P energy: -81.191
bonds (distance) P-C4' energy: -74.238
flat angles C4'-P-C4' energy: -71.247
flat angles P-C4'-P energy: -41.125
tors. eta vs tors. theta energy: -15.834
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: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -508.299293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.299293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.299293 (E_RNA)
where:
Base-Base interactions energy: -232.114
where: short stacking energy: -166.021
Base-Backbone interact. energy: 3.996
local terms energy: -280.181228
where:
bonds (distance) C4'-P energy: -82.011
bonds (distance) P-C4' energy: -77.744
flat angles C4'-P-C4' energy: -61.407
flat angles P-C4'-P energy: -54.070
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: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -457.022699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.022699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.022699 (E_RNA)
where:
Base-Base interactions energy: -191.685
where: short stacking energy: -146.164
Base-Backbone interact. energy: -0.035
local terms energy: -265.302173
where:
bonds (distance) C4'-P energy: -77.700
bonds (distance) P-C4' energy: -82.560
flat angles C4'-P-C4' energy: -82.529
flat angles P-C4'-P energy: -25.076
tors. eta vs tors. theta energy: 2.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -384.292547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.292547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.292547 (E_RNA)
where:
Base-Base interactions energy: -137.893
where: short stacking energy: -105.956
Base-Backbone interact. energy: 1.378
local terms energy: -247.777090
where:
bonds (distance) C4'-P energy: -73.483
bonds (distance) P-C4' energy: -84.846
flat angles C4'-P-C4' energy: -60.870
flat angles P-C4'-P energy: -34.413
tors. eta vs tors. theta energy: 5.835
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: 227
Temperature: 1.350000
Total energy: -390.222775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.222775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.222775 (E_RNA)
where:
Base-Base interactions energy: -120.418
where: short stacking energy: -112.264
Base-Backbone interact. energy: 0.234
local terms energy: -270.038100
where:
bonds (distance) C4'-P energy: -86.954
bonds (distance) P-C4' energy: -74.623
flat angles C4'-P-C4' energy: -83.274
flat angles P-C4'-P energy: -26.255
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: 6
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1205.940551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.940551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.940551 (E_RNA)
where:
Base-Base interactions energy: -731.586
where: short stacking energy: -394.312
Base-Backbone interact. energy: -0.194
local terms energy: -474.160806
where:
bonds (distance) C4'-P energy: -87.567
bonds (distance) P-C4' energy: -95.587
flat angles C4'-P-C4' energy: -100.206
flat angles P-C4'-P energy: -66.966
tors. eta vs tors. theta energy: -123.835
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: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1099.010166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.010166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.010166 (E_RNA)
where:
Base-Base interactions energy: -620.312
where: short stacking energy: -378.376
Base-Backbone interact. energy: -0.816
local terms energy: -477.882473
where:
bonds (distance) C4'-P energy: -90.945
bonds (distance) P-C4' energy: -98.967
flat angles C4'-P-C4' energy: -102.884
flat angles P-C4'-P energy: -70.899
tors. eta vs tors. theta energy: -114.189
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: 4
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -972.195806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.195806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.195806 (E_RNA)
where:
Base-Base interactions energy: -567.449
where: short stacking energy: -320.542
Base-Backbone interact. energy: -4.167
local terms energy: -400.579191
where:
bonds (distance) C4'-P energy: -83.554
bonds (distance) P-C4' energy: -83.034
flat angles C4'-P-C4' energy: -85.265
flat angles P-C4'-P energy: -63.579
tors. eta vs tors. theta energy: -85.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -790.070091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.070091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.070091 (E_RNA)
where:
Base-Base interactions energy: -413.058
where: short stacking energy: -258.123
Base-Backbone interact. energy: -1.876
local terms energy: -375.135988
where:
bonds (distance) C4'-P energy: -79.985
bonds (distance) P-C4' energy: -101.261
flat angles C4'-P-C4' energy: -81.446
flat angles P-C4'-P energy: -57.576
tors. eta vs tors. theta energy: -54.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -697.950723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.950723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.950723 (E_RNA)
where:
Base-Base interactions energy: -369.200
where: short stacking energy: -227.221
Base-Backbone interact. energy: 4.711
local terms energy: -333.461377
where:
bonds (distance) C4'-P energy: -75.350
bonds (distance) P-C4' energy: -85.349
flat angles C4'-P-C4' energy: -83.675
flat angles P-C4'-P energy: -63.696
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: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -616.467454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.467454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.467454 (E_RNA)
where:
Base-Base interactions energy: -284.638
where: short stacking energy: -198.090
Base-Backbone interact. energy: -2.222
local terms energy: -329.607505
where:
bonds (distance) C4'-P energy: -84.554
bonds (distance) P-C4' energy: -88.325
flat angles C4'-P-C4' energy: -79.303
flat angles P-C4'-P energy: -42.699
tors. eta vs tors. theta energy: -34.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -562.115293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.115293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.115293 (E_RNA)
where:
Base-Base interactions energy: -249.765
where: short stacking energy: -167.092
Base-Backbone interact. energy: 0.061
local terms energy: -312.411501
where:
bonds (distance) C4'-P energy: -89.077
bonds (distance) P-C4' energy: -69.057
flat angles C4'-P-C4' energy: -91.027
flat angles P-C4'-P energy: -45.238
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -448.260979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.260979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.260979 (E_RNA)
where:
Base-Base interactions energy: -170.433
where: short stacking energy: -153.288
Base-Backbone interact. energy: -0.786
local terms energy: -277.041503
where:
bonds (distance) C4'-P energy: -75.958
bonds (distance) P-C4' energy: -78.203
flat angles C4'-P-C4' energy: -69.635
flat angles P-C4'-P energy: -47.556
tors. eta vs tors. theta energy: -5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -388.852949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.852949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.852949 (E_RNA)
where:
Base-Base interactions energy: -125.676
where: short stacking energy: -106.675
Base-Backbone interact. energy: -1.809
local terms energy: -261.368608
where:
bonds (distance) C4'-P energy: -68.289
bonds (distance) P-C4' energy: -86.405
flat angles C4'-P-C4' energy: -65.580
flat angles P-C4'-P energy: -43.732
tors. eta vs tors. theta energy: 2.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -348.207813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.207813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.207813 (E_RNA)
where:
Base-Base interactions energy: -88.980
where: short stacking energy: -86.793
Base-Backbone interact. energy: 3.421
local terms energy: -262.648870
where:
bonds (distance) C4'-P energy: -62.105
bonds (distance) P-C4' energy: -91.629
flat angles C4'-P-C4' energy: -66.170
flat angles P-C4'-P energy: -49.464
tors. eta vs tors. theta energy: 6.719
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: 1, replica: 6
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1229.456465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.456465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.456465 (E_RNA)
where:
Base-Base interactions energy: -750.327
where: short stacking energy: -418.421
Base-Backbone interact. energy: -1.012
local terms energy: -478.118115
where:
bonds (distance) C4'-P energy: -97.465
bonds (distance) P-C4' energy: -92.304
flat angles C4'-P-C4' energy: -105.915
flat angles P-C4'-P energy: -55.496
tors. eta vs tors. theta energy: -126.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1114.323888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.323888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.323888 (E_RNA)
where:
Base-Base interactions energy: -667.081
where: short stacking energy: -393.506
Base-Backbone interact. energy: -2.164
local terms energy: -445.079123
where:
bonds (distance) C4'-P energy: -87.885
bonds (distance) P-C4' energy: -100.438
flat angles C4'-P-C4' energy: -95.695
flat angles P-C4'-P energy: -50.688
tors. eta vs tors. theta energy: -110.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1020.988648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.988648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.988648 (E_RNA)
where:
Base-Base interactions energy: -580.671
where: short stacking energy: -320.787
Base-Backbone interact. energy: -1.949
local terms energy: -438.369090
where:
bonds (distance) C4'-P energy: -96.274
bonds (distance) P-C4' energy: -95.472
flat angles C4'-P-C4' energy: -95.945
flat angles P-C4'-P energy: -60.632
tors. eta vs tors. theta energy: -90.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -800.449174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.449174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.449174 (E_RNA)
where:
Base-Base interactions energy: -429.902
where: short stacking energy: -290.916
Base-Backbone interact. energy: 1.056
local terms energy: -371.603458
where:
bonds (distance) C4'-P energy: -71.564
bonds (distance) P-C4' energy: -98.444
flat angles C4'-P-C4' energy: -66.280
flat angles P-C4'-P energy: -56.651
tors. eta vs tors. theta energy: -78.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -736.754410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.754410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.754410 (E_RNA)
where:
Base-Base interactions energy: -388.019
where: short stacking energy: -226.870
Base-Backbone interact. energy: -1.406
local terms energy: -347.329251
where:
bonds (distance) C4'-P energy: -91.674
bonds (distance) P-C4' energy: -91.359
flat angles C4'-P-C4' energy: -81.070
flat angles P-C4'-P energy: -44.604
tors. eta vs tors. theta energy: -38.623
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: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -534.630957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.630957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.630957 (E_RNA)
where:
Base-Base interactions energy: -211.521
where: short stacking energy: -170.234
Base-Backbone interact. energy: -0.131
local terms energy: -322.979798
where:
bonds (distance) C4'-P energy: -79.855
bonds (distance) P-C4' energy: -96.169
flat angles C4'-P-C4' energy: -78.341
flat angles P-C4'-P energy: -32.371
tors. eta vs tors. theta energy: -36.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -530.903031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.903031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.903031 (E_RNA)
where:
Base-Base interactions energy: -229.199
where: short stacking energy: -177.377
Base-Backbone interact. energy: -1.501
local terms energy: -300.203119
where:
bonds (distance) C4'-P energy: -78.227
bonds (distance) P-C4' energy: -84.867
flat angles C4'-P-C4' energy: -70.878
flat angles P-C4'-P energy: -43.051
tors. eta vs tors. theta energy: -23.180
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: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -440.751388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.751388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.751388 (E_RNA)
where:
Base-Base interactions energy: -173.735
where: short stacking energy: -122.841
Base-Backbone interact. energy: -1.699
local terms energy: -265.317567
where:
bonds (distance) C4'-P energy: -85.181
bonds (distance) P-C4' energy: -78.651
flat angles C4'-P-C4' energy: -47.481
flat angles P-C4'-P energy: -52.671
tors. eta vs tors. theta energy: -1.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -388.550109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.550109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.550109 (E_RNA)
where:
Base-Base interactions energy: -126.636
where: short stacking energy: -114.110
Base-Backbone interact. energy: -0.851
local terms energy: -261.063500
where:
bonds (distance) C4'-P energy: -72.706
bonds (distance) P-C4' energy: -81.671
flat angles C4'-P-C4' energy: -70.653
flat angles P-C4'-P energy: -39.742
tors. eta vs tors. theta energy: 3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -371.001520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.001520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.001520 (E_RNA)
where:
Base-Base interactions energy: -106.822
where: short stacking energy: -90.009
Base-Backbone interact. energy: 0.624
local terms energy: -264.803941
where:
bonds (distance) C4'-P energy: -72.193
bonds (distance) P-C4' energy: -78.280
flat angles C4'-P-C4' energy: -70.092
flat angles P-C4'-P energy: -44.206
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: 1, replica: 6
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1214.168277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.168277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.168277 (E_RNA)
where:
Base-Base interactions energy: -737.360
where: short stacking energy: -413.580
Base-Backbone interact. energy: -0.283
local terms energy: -476.524788
where:
bonds (distance) C4'-P energy: -103.488
bonds (distance) P-C4' energy: -101.440
flat angles C4'-P-C4' energy: -91.059
flat angles P-C4'-P energy: -65.565
tors. eta vs tors. theta energy: -114.973
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: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1130.377969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.377969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.377969 (E_RNA)
where:
Base-Base interactions energy: -646.549
where: short stacking energy: -388.263
Base-Backbone interact. energy: -0.221
local terms energy: -483.608258
where:
bonds (distance) C4'-P energy: -91.339
bonds (distance) P-C4' energy: -93.398
flat angles C4'-P-C4' energy: -110.152
flat angles P-C4'-P energy: -73.279
tors. eta vs tors. theta energy: -115.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1072.999575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.999575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.999575 (E_RNA)
where:
Base-Base interactions energy: -639.107
where: short stacking energy: -349.987
Base-Backbone interact. energy: 1.202
local terms energy: -435.094339
where:
bonds (distance) C4'-P energy: -84.431
bonds (distance) P-C4' energy: -89.919
flat angles C4'-P-C4' energy: -96.798
flat angles P-C4'-P energy: -64.493
tors. eta vs tors. theta energy: -99.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -777.853599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.853599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.853599 (E_RNA)
where:
Base-Base interactions energy: -410.312
where: short stacking energy: -261.251
Base-Backbone interact. energy: 1.901
local terms energy: -369.442301
where:
bonds (distance) C4'-P energy: -92.601
bonds (distance) P-C4' energy: -83.044
flat angles C4'-P-C4' energy: -84.502
flat angles P-C4'-P energy: -49.919
tors. eta vs tors. theta energy: -59.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -735.229270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.229270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.229270 (E_RNA)
where:
Base-Base interactions energy: -377.996
where: short stacking energy: -233.373
Base-Backbone interact. energy: -0.922
local terms energy: -356.311918
where:
bonds (distance) C4'-P energy: -84.643
bonds (distance) P-C4' energy: -71.664
flat angles C4'-P-C4' energy: -78.891
flat angles P-C4'-P energy: -72.404
tors. eta vs tors. theta energy: -48.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -586.786872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.786872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.786872 (E_RNA)
where:
Base-Base interactions energy: -288.907
where: short stacking energy: -205.794
Base-Backbone interact. energy: 2.000
local terms energy: -299.879762
where:
bonds (distance) C4'-P energy: -82.072
bonds (distance) P-C4' energy: -70.758
flat angles C4'-P-C4' energy: -72.405
flat angles P-C4'-P energy: -43.039
tors. eta vs tors. theta energy: -31.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -556.696225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.696225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.696225 (E_RNA)
where:
Base-Base interactions energy: -233.510
where: short stacking energy: -150.669
Base-Backbone interact. energy: 1.068
local terms energy: -324.254219
where:
bonds (distance) C4'-P energy: -90.724
bonds (distance) P-C4' energy: -92.509
flat angles C4'-P-C4' energy: -73.328
flat angles P-C4'-P energy: -43.062
tors. eta vs tors. theta energy: -24.632
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: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -425.495919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.495919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.495919 (E_RNA)
where:
Base-Base interactions energy: -151.192
where: short stacking energy: -119.791
Base-Backbone interact. energy: 0.259
local terms energy: -274.563436
where:
bonds (distance) C4'-P energy: -72.529
bonds (distance) P-C4' energy: -87.871
flat angles C4'-P-C4' energy: -68.858
flat angles P-C4'-P energy: -50.800
tors. eta vs tors. theta energy: 5.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -371.732876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.732876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.732876 (E_RNA)
where:
Base-Base interactions energy: -129.390
where: short stacking energy: -116.254
Base-Backbone interact. energy: 0.970
local terms energy: -243.313499
where:
bonds (distance) C4'-P energy: -65.024
bonds (distance) P-C4' energy: -97.756
flat angles C4'-P-C4' energy: -44.161
flat angles P-C4'-P energy: -39.105
tors. eta vs tors. theta energy: 2.733
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: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -343.939223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.939223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.939223 (E_RNA)
where:
Base-Base interactions energy: -97.455
where: short stacking energy: -87.170
Base-Backbone interact. energy: -1.049
local terms energy: -245.434741
where:
bonds (distance) C4'-P energy: -87.314
bonds (distance) P-C4' energy: -85.226
flat angles C4'-P-C4' energy: -71.341
flat angles P-C4'-P energy: -29.730
tors. eta vs tors. theta energy: 28.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1210.653205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.653205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.653205 (E_RNA)
where:
Base-Base interactions energy: -724.506
where: short stacking energy: -417.925
Base-Backbone interact. energy: 0.076
local terms energy: -486.222457
where:
bonds (distance) C4'-P energy: -93.006
bonds (distance) P-C4' energy: -101.164
flat angles C4'-P-C4' energy: -101.933
flat angles P-C4'-P energy: -60.261
tors. eta vs tors. theta energy: -129.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1133.383896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.383896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.383896 (E_RNA)
where:
Base-Base interactions energy: -653.189
where: short stacking energy: -412.955
Base-Backbone interact. energy: 1.599
local terms energy: -481.794106
where:
bonds (distance) C4'-P energy: -81.582
bonds (distance) P-C4' energy: -97.389
flat angles C4'-P-C4' energy: -102.015
flat angles P-C4'-P energy: -74.283
tors. eta vs tors. theta energy: -126.525
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: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1011.041518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.041518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.041518 (E_RNA)
where:
Base-Base interactions energy: -583.192
where: short stacking energy: -350.656
Base-Backbone interact. energy: -1.735
local terms energy: -426.114762
where:
bonds (distance) C4'-P energy: -82.797
bonds (distance) P-C4' energy: -87.102
flat angles C4'-P-C4' energy: -93.352
flat angles P-C4'-P energy: -66.859
tors. eta vs tors. theta energy: -96.005
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: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -821.490144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.490144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.490144 (E_RNA)
where:
Base-Base interactions energy: -433.119
where: short stacking energy: -290.583
Base-Backbone interact. energy: -0.858
local terms energy: -387.513259
where:
bonds (distance) C4'-P energy: -91.128
bonds (distance) P-C4' energy: -91.023
flat angles C4'-P-C4' energy: -78.915
flat angles P-C4'-P energy: -57.232
tors. eta vs tors. theta energy: -69.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -701.387306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.387306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.387306 (E_RNA)
where:
Base-Base interactions energy: -380.517
where: short stacking energy: -244.757
Base-Backbone interact. energy: -0.393
local terms energy: -320.477582
where:
bonds (distance) C4'-P energy: -87.630
bonds (distance) P-C4' energy: -71.000
flat angles C4'-P-C4' energy: -86.829
flat angles P-C4'-P energy: -38.502
tors. eta vs tors. theta energy: -36.517
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: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -560.001566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.001566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.001566 (E_RNA)
where:
Base-Base interactions energy: -237.999
where: short stacking energy: -179.824
Base-Backbone interact. energy: 0.363
local terms energy: -322.366417
where:
bonds (distance) C4'-P energy: -82.163
bonds (distance) P-C4' energy: -88.063
flat angles C4'-P-C4' energy: -69.744
flat angles P-C4'-P energy: -56.536
tors. eta vs tors. theta energy: -25.860
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: 1
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -458.087407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.087407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.087407 (E_RNA)
where:
Base-Base interactions energy: -164.831
where: short stacking energy: -149.620
Base-Backbone interact. energy: 1.246
local terms energy: -294.502909
where:
bonds (distance) C4'-P energy: -65.805
bonds (distance) P-C4' energy: -83.347
flat angles C4'-P-C4' energy: -82.210
flat angles P-C4'-P energy: -51.868
tors. eta vs tors. theta energy: -11.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -402.779729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.779729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.779729 (E_RNA)
where:
Base-Base interactions energy: -136.757
where: short stacking energy: -129.381
Base-Backbone interact. energy: -0.014
local terms energy: -266.008225
where:
bonds (distance) C4'-P energy: -77.263
bonds (distance) P-C4' energy: -68.661
flat angles C4'-P-C4' energy: -68.439
flat angles P-C4'-P energy: -45.424
tors. eta vs tors. theta energy: -6.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -376.771448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.771448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.771448 (E_RNA)
where:
Base-Base interactions energy: -131.010
where: short stacking energy: -125.331
Base-Backbone interact. energy: -2.684
local terms energy: -243.077888
where:
bonds (distance) C4'-P energy: -63.554
bonds (distance) P-C4' energy: -77.715
flat angles C4'-P-C4' energy: -64.874
flat angles P-C4'-P energy: -35.398
tors. eta vs tors. theta energy: -1.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -381.190970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.190970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.190970 (E_RNA)
where:
Base-Base interactions energy: -138.986
where: short stacking energy: -114.158
Base-Backbone interact. energy: 2.906
local terms energy: -245.111405
where:
bonds (distance) C4'-P energy: -73.261
bonds (distance) P-C4' energy: -80.105
flat angles C4'-P-C4' energy: -64.984
flat angles P-C4'-P energy: -34.348
tors. eta vs tors. theta energy: 7.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1251.867198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.867198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.867198 (E_RNA)
where:
Base-Base interactions energy: -755.567
where: short stacking energy: -430.243
Base-Backbone interact. energy: -2.047
local terms energy: -494.252402
where:
bonds (distance) C4'-P energy: -91.233
bonds (distance) P-C4' energy: -98.437
flat angles C4'-P-C4' energy: -110.525
flat angles P-C4'-P energy: -69.641
tors. eta vs tors. theta energy: -124.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1160.498272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.498272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.498272 (E_RNA)
where:
Base-Base interactions energy: -672.662
where: short stacking energy: -441.188
Base-Backbone interact. energy: -1.030
local terms energy: -486.806103
where:
bonds (distance) C4'-P energy: -82.893
bonds (distance) P-C4' energy: -88.757
flat angles C4'-P-C4' energy: -104.114
flat angles P-C4'-P energy: -68.360
tors. eta vs tors. theta energy: -142.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1034.289351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.289351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.289351 (E_RNA)
where:
Base-Base interactions energy: -612.583
where: short stacking energy: -354.057
Base-Backbone interact. energy: -1.416
local terms energy: -420.290778
where:
bonds (distance) C4'-P energy: -94.088
bonds (distance) P-C4' energy: -83.230
flat angles C4'-P-C4' energy: -95.091
flat angles P-C4'-P energy: -47.470
tors. eta vs tors. theta energy: -100.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -783.628780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.628780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.628780 (E_RNA)
where:
Base-Base interactions energy: -389.915
where: short stacking energy: -267.193
Base-Backbone interact. energy: 0.205
local terms energy: -393.918779
where:
bonds (distance) C4'-P energy: -92.988
bonds (distance) P-C4' energy: -90.978
flat angles C4'-P-C4' energy: -85.055
flat angles P-C4'-P energy: -64.373
tors. eta vs tors. theta energy: -60.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -689.843746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.843746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.843746 (E_RNA)
where:
Base-Base interactions energy: -357.500
where: short stacking energy: -236.657
Base-Backbone interact. energy: -1.936
local terms energy: -330.408215
where:
bonds (distance) C4'-P energy: -68.984
bonds (distance) P-C4' energy: -88.625
flat angles C4'-P-C4' energy: -87.121
flat angles P-C4'-P energy: -39.361
tors. eta vs tors. theta energy: -46.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -548.681222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.681222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.681222 (E_RNA)
where:
Base-Base interactions energy: -229.218
where: short stacking energy: -173.866
Base-Backbone interact. energy: -0.932
local terms energy: -318.531530
where:
bonds (distance) C4'-P energy: -78.745
bonds (distance) P-C4' energy: -73.780
flat angles C4'-P-C4' energy: -91.169
flat angles P-C4'-P energy: -46.875
tors. eta vs tors. theta energy: -27.962
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: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -465.813119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.813119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.813119 (E_RNA)
where:
Base-Base interactions energy: -175.177
where: short stacking energy: -128.662
Base-Backbone interact. energy: 1.082
local terms energy: -291.717487
where:
bonds (distance) C4'-P energy: -67.944
bonds (distance) P-C4' energy: -79.298
flat angles C4'-P-C4' energy: -80.279
flat angles P-C4'-P energy: -50.202
tors. eta vs tors. theta energy: -13.995
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: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -405.093550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.093550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.093550 (E_RNA)
where:
Base-Base interactions energy: -164.567
where: short stacking energy: -132.443
Base-Backbone interact. energy: -0.284
local terms energy: -240.241956
where:
bonds (distance) C4'-P energy: -69.971
bonds (distance) P-C4' energy: -72.306
flat angles C4'-P-C4' energy: -64.163
flat angles P-C4'-P energy: -43.871
tors. eta vs tors. theta energy: 10.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -375.189923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.189923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.189923 (E_RNA)
where:
Base-Base interactions energy: -122.326
where: short stacking energy: -118.131
Base-Backbone interact. energy: 4.924
local terms energy: -257.787925
where:
bonds (distance) C4'-P energy: -68.540
bonds (distance) P-C4' energy: -76.826
flat angles C4'-P-C4' energy: -72.622
flat angles P-C4'-P energy: -44.791
tors. eta vs tors. theta energy: 4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -353.279095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.279095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.279095 (E_RNA)
where:
Base-Base interactions energy: -114.599
where: short stacking energy: -106.167
Base-Backbone interact. energy: -1.746
local terms energy: -236.934123
where:
bonds (distance) C4'-P energy: -69.355
bonds (distance) P-C4' energy: -73.869
flat angles C4'-P-C4' energy: -65.032
flat angles P-C4'-P energy: -34.034
tors. eta vs tors. theta energy: 5.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1226.668222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.668222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.668222 (E_RNA)
where:
Base-Base interactions energy: -727.158
where: short stacking energy: -420.347
Base-Backbone interact. energy: -1.208
local terms energy: -498.302355
where:
bonds (distance) C4'-P energy: -96.279
bonds (distance) P-C4' energy: -102.184
flat angles C4'-P-C4' energy: -104.488
flat angles P-C4'-P energy: -62.546
tors. eta vs tors. theta energy: -132.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1137.586373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.586373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.586373 (E_RNA)
where:
Base-Base interactions energy: -666.997
where: short stacking energy: -416.857
Base-Backbone interact. energy: -1.004
local terms energy: -469.585541
where:
bonds (distance) C4'-P energy: -93.394
bonds (distance) P-C4' energy: -92.538
flat angles C4'-P-C4' energy: -100.570
flat angles P-C4'-P energy: -60.338
tors. eta vs tors. theta energy: -122.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1054.151667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.151667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.151667 (E_RNA)
where:
Base-Base interactions energy: -628.430
where: short stacking energy: -337.837
Base-Backbone interact. energy: 0.231
local terms energy: -425.952796
where:
bonds (distance) C4'-P energy: -83.856
bonds (distance) P-C4' energy: -84.901
flat angles C4'-P-C4' energy: -95.291
flat angles P-C4'-P energy: -63.700
tors. eta vs tors. theta energy: -98.204
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: 233
Temperature: 1.050000
Total energy: -744.966322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.966322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.966322 (E_RNA)
where:
Base-Base interactions energy: -371.317
where: short stacking energy: -255.849
Base-Backbone interact. energy: -0.147
local terms energy: -373.501694
where:
bonds (distance) C4'-P energy: -79.807
bonds (distance) P-C4' energy: -91.462
flat angles C4'-P-C4' energy: -88.650
flat angles P-C4'-P energy: -63.260
tors. eta vs tors. theta energy: -50.323
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: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -718.122193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.122193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.122193 (E_RNA)
where:
Base-Base interactions energy: -366.220
where: short stacking energy: -218.856
Base-Backbone interact. energy: -0.715
local terms energy: -351.187892
where:
bonds (distance) C4'-P energy: -93.979
bonds (distance) P-C4' energy: -90.252
flat angles C4'-P-C4' energy: -79.122
flat angles P-C4'-P energy: -44.199
tors. eta vs tors. theta energy: -43.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -607.522794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.522794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.522794 (E_RNA)
where:
Base-Base interactions energy: -264.078
where: short stacking energy: -197.883
Base-Backbone interact. energy: 1.355
local terms energy: -344.799987
where:
bonds (distance) C4'-P energy: -77.691
bonds (distance) P-C4' energy: -84.359
flat angles C4'-P-C4' energy: -88.569
flat angles P-C4'-P energy: -56.931
tors. eta vs tors. theta energy: -37.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -426.368000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.368000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.368000 (E_RNA)
where:
Base-Base interactions energy: -165.955
where: short stacking energy: -149.464
Base-Backbone interact. energy: 3.765
local terms energy: -264.177988
where:
bonds (distance) C4'-P energy: -67.020
bonds (distance) P-C4' energy: -88.727
flat angles C4'-P-C4' energy: -67.563
flat angles P-C4'-P energy: -42.419
tors. eta vs tors. theta energy: 1.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -423.131856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.131856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.131856 (E_RNA)
where:
Base-Base interactions energy: -138.146
where: short stacking energy: -130.274
Base-Backbone interact. energy: 0.090
local terms energy: -285.075845
where:
bonds (distance) C4'-P energy: -86.050
bonds (distance) P-C4' energy: -81.791
flat angles C4'-P-C4' energy: -77.639
flat angles P-C4'-P energy: -33.497
tors. eta vs tors. theta energy: -6.098
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: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -382.742592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.742592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.742592 (E_RNA)
where:
Base-Base interactions energy: -126.648
where: short stacking energy: -115.600
Base-Backbone interact. energy: 1.052
local terms energy: -257.146937
where:
bonds (distance) C4'-P energy: -80.787
bonds (distance) P-C4' energy: -75.743
flat angles C4'-P-C4' energy: -65.643
flat angles P-C4'-P energy: -47.736
tors. eta vs tors. theta energy: 12.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -358.860193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.860193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.860193 (E_RNA)
where:
Base-Base interactions energy: -124.669
where: short stacking energy: -95.993
Base-Backbone interact. energy: 1.456
local terms energy: -235.646637
where:
bonds (distance) C4'-P energy: -76.980
bonds (distance) P-C4' energy: -74.823
flat angles C4'-P-C4' energy: -47.320
flat angles P-C4'-P energy: -51.762
tors. eta vs tors. theta energy: 15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1230.686183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.686183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.686183 (E_RNA)
where:
Base-Base interactions energy: -746.796
where: short stacking energy: -434.076
Base-Backbone interact. energy: -1.716
local terms energy: -482.175160
where:
bonds (distance) C4'-P energy: -91.349
bonds (distance) P-C4' energy: -95.913
flat angles C4'-P-C4' energy: -107.423
flat angles P-C4'-P energy: -62.552
tors. eta vs tors. theta energy: -124.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1145.082813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.082813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.082813 (E_RNA)
where:
Base-Base interactions energy: -663.669
where: short stacking energy: -424.753
Base-Backbone interact. energy: -0.849
local terms energy: -480.564127
where:
bonds (distance) C4'-P energy: -70.821
bonds (distance) P-C4' energy: -96.554
flat angles C4'-P-C4' energy: -99.967
flat angles P-C4'-P energy: -76.864
tors. eta vs tors. theta energy: -136.358
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: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1045.491017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.491017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.491017 (E_RNA)
where:
Base-Base interactions energy: -621.278
where: short stacking energy: -355.266
Base-Backbone interact. energy: 0.445
local terms energy: -424.658145
where:
bonds (distance) C4'-P energy: -95.545
bonds (distance) P-C4' energy: -83.897
flat angles C4'-P-C4' energy: -94.050
flat angles P-C4'-P energy: -61.762
tors. eta vs tors. theta energy: -89.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -794.274897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.274897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.274897 (E_RNA)
where:
Base-Base interactions energy: -404.577
where: short stacking energy: -267.247
Base-Backbone interact. energy: 1.077
local terms energy: -390.774499
where:
bonds (distance) C4'-P energy: -85.619
bonds (distance) P-C4' energy: -90.054
flat angles C4'-P-C4' energy: -92.251
flat angles P-C4'-P energy: -55.625
tors. eta vs tors. theta energy: -67.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -697.615379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.615379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.615379 (E_RNA)
where:
Base-Base interactions energy: -337.936
where: short stacking energy: -223.420
Base-Backbone interact. energy: 0.300
local terms energy: -359.979063
where:
bonds (distance) C4'-P energy: -92.932
bonds (distance) P-C4' energy: -90.439
flat angles C4'-P-C4' energy: -80.874
flat angles P-C4'-P energy: -56.759
tors. eta vs tors. theta energy: -38.976
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: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -569.832130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.832130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.832130 (E_RNA)
where:
Base-Base interactions energy: -248.923
where: short stacking energy: -179.861
Base-Backbone interact. energy: 2.173
local terms energy: -323.082009
where:
bonds (distance) C4'-P energy: -91.135
bonds (distance) P-C4' energy: -83.038
flat angles C4'-P-C4' energy: -77.461
flat angles P-C4'-P energy: -53.433
tors. eta vs tors. theta energy: -18.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -445.615137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.615137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.615137 (E_RNA)
where:
Base-Base interactions energy: -167.357
where: short stacking energy: -139.895
Base-Backbone interact. energy: 0.614
local terms energy: -278.871491
where:
bonds (distance) C4'-P energy: -74.743
bonds (distance) P-C4' energy: -87.283
flat angles C4'-P-C4' energy: -71.623
flat angles P-C4'-P energy: -33.895
tors. eta vs tors. theta energy: -11.328
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: 8, replica: 9
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -412.901954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.901954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.901954 (E_RNA)
where:
Base-Base interactions energy: -143.786
where: short stacking energy: -123.247
Base-Backbone interact. energy: 0.232
local terms energy: -269.347854
where:
bonds (distance) C4'-P energy: -79.367
bonds (distance) P-C4' energy: -82.899
flat angles C4'-P-C4' energy: -73.182
flat angles P-C4'-P energy: -45.221
tors. eta vs tors. theta energy: 11.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -390.513071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.513071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.513071 (E_RNA)
where:
Base-Base interactions energy: -119.185
where: short stacking energy: -106.518
Base-Backbone interact. energy: 2.354
local terms energy: -273.682170
where:
bonds (distance) C4'-P energy: -81.715
bonds (distance) P-C4' energy: -78.895
flat angles C4'-P-C4' energy: -75.033
flat angles P-C4'-P energy: -41.467
tors. eta vs tors. theta energy: 3.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -340.248382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.248382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.248382 (E_RNA)
where:
Base-Base interactions energy: -98.668
where: short stacking energy: -88.979
Base-Backbone interact. energy: -0.281
local terms energy: -241.298923
where:
bonds (distance) C4'-P energy: -73.740
bonds (distance) P-C4' energy: -96.741
flat angles C4'-P-C4' energy: -50.154
flat angles P-C4'-P energy: -37.951
tors. eta vs tors. theta energy: 17.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1188.928010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.928010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.928010 (E_RNA)
where:
Base-Base interactions energy: -717.445
where: short stacking energy: -422.898
Base-Backbone interact. energy: 0.677
local terms energy: -472.159681
where:
bonds (distance) C4'-P energy: -89.605
bonds (distance) P-C4' energy: -91.407
flat angles C4'-P-C4' energy: -100.079
flat angles P-C4'-P energy: -72.321
tors. eta vs tors. theta energy: -118.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1150.889232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.889232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.889232 (E_RNA)
where:
Base-Base interactions energy: -652.827
where: short stacking energy: -411.399
Base-Backbone interact. energy: -0.592
local terms energy: -497.470701
where:
bonds (distance) C4'-P energy: -101.329
bonds (distance) P-C4' energy: -95.253
flat angles C4'-P-C4' energy: -107.914
flat angles P-C4'-P energy: -61.940
tors. eta vs tors. theta energy: -131.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1052.527164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.527164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.527164 (E_RNA)
where:
Base-Base interactions energy: -637.442
where: short stacking energy: -359.230
Base-Backbone interact. energy: -1.846
local terms energy: -413.238899
where:
bonds (distance) C4'-P energy: -75.228
bonds (distance) P-C4' energy: -94.567
flat angles C4'-P-C4' energy: -99.422
flat angles P-C4'-P energy: -55.756
tors. eta vs tors. theta energy: -88.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -834.024596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.024596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.024596 (E_RNA)
where:
Base-Base interactions energy: -444.237
where: short stacking energy: -280.419
Base-Backbone interact. energy: 2.764
local terms energy: -392.551415
where:
bonds (distance) C4'-P energy: -84.669
bonds (distance) P-C4' energy: -99.376
flat angles C4'-P-C4' energy: -88.560
flat angles P-C4'-P energy: -51.573
tors. eta vs tors. theta energy: -68.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -675.255045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.255045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.255045 (E_RNA)
where:
Base-Base interactions energy: -326.325
where: short stacking energy: -231.083
Base-Backbone interact. energy: -1.703
local terms energy: -347.227726
where:
bonds (distance) C4'-P energy: -84.798
bonds (distance) P-C4' energy: -82.608
flat angles C4'-P-C4' energy: -86.966
flat angles P-C4'-P energy: -35.763
tors. eta vs tors. theta energy: -57.092
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: 235
Temperature: 1.150000
Total energy: -570.660896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.660896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.660896 (E_RNA)
where:
Base-Base interactions energy: -279.327
where: short stacking energy: -192.867
Base-Backbone interact. energy: -1.271
local terms energy: -290.063651
where:
bonds (distance) C4'-P energy: -83.198
bonds (distance) P-C4' energy: -79.810
flat angles C4'-P-C4' energy: -74.880
flat angles P-C4'-P energy: -34.958
tors. eta vs tors. theta energy: -17.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -475.476872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.476872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.476872 (E_RNA)
where:
Base-Base interactions energy: -202.919
where: short stacking energy: -162.890
Base-Backbone interact. energy: 0.045
local terms energy: -272.602864
where:
bonds (distance) C4'-P energy: -74.351
bonds (distance) P-C4' energy: -68.638
flat angles C4'-P-C4' energy: -64.912
flat angles P-C4'-P energy: -46.127
tors. eta vs tors. theta energy: -18.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -420.780662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.780662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.780662 (E_RNA)
where:
Base-Base interactions energy: -138.482
where: short stacking energy: -122.651
Base-Backbone interact. energy: 0.349
local terms energy: -282.647279
where:
bonds (distance) C4'-P energy: -77.465
bonds (distance) P-C4' energy: -81.868
flat angles C4'-P-C4' energy: -68.827
flat angles P-C4'-P energy: -47.700
tors. eta vs tors. theta energy: -6.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -405.043765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.043765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.043765 (E_RNA)
where:
Base-Base interactions energy: -138.046
where: short stacking energy: -131.178
Base-Backbone interact. energy: 1.275
local terms energy: -268.273002
where:
bonds (distance) C4'-P energy: -74.747
bonds (distance) P-C4' energy: -72.373
flat angles C4'-P-C4' energy: -64.373
flat angles P-C4'-P energy: -43.391
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -357.265427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.265427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.265427 (E_RNA)
where:
Base-Base interactions energy: -139.720
where: short stacking energy: -107.609
Base-Backbone interact. energy: -1.745
local terms energy: -215.800764
where:
bonds (distance) C4'-P energy: -61.607
bonds (distance) P-C4' energy: -71.194
flat angles C4'-P-C4' energy: -71.683
flat angles P-C4'-P energy: -22.730
tors. eta vs tors. theta energy: 11.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1204.622640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.622640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.622640 (E_RNA)
where:
Base-Base interactions energy: -724.706
where: short stacking energy: -399.606
Base-Backbone interact. energy: -0.456
local terms energy: -479.460706
where:
bonds (distance) C4'-P energy: -83.864
bonds (distance) P-C4' energy: -103.257
flat angles C4'-P-C4' energy: -104.400
flat angles P-C4'-P energy: -71.977
tors. eta vs tors. theta energy: -115.962
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: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1156.220202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.220202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.220202 (E_RNA)
where:
Base-Base interactions energy: -650.852
where: short stacking energy: -420.601
Base-Backbone interact. energy: -1.563
local terms energy: -503.805955
where:
bonds (distance) C4'-P energy: -99.767
bonds (distance) P-C4' energy: -94.866
flat angles C4'-P-C4' energy: -107.832
flat angles P-C4'-P energy: -71.424
tors. eta vs tors. theta energy: -129.916
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: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1044.072282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.072282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.072282 (E_RNA)
where:
Base-Base interactions energy: -607.821
where: short stacking energy: -342.260
Base-Backbone interact. energy: -3.558
local terms energy: -432.693881
where:
bonds (distance) C4'-P energy: -86.970
bonds (distance) P-C4' energy: -90.094
flat angles C4'-P-C4' energy: -104.020
flat angles P-C4'-P energy: -63.281
tors. eta vs tors. theta energy: -88.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -854.938591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.938591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.938591 (E_RNA)
where:
Base-Base interactions energy: -465.249
where: short stacking energy: -299.287
Base-Backbone interact. energy: -0.044
local terms energy: -389.646024
where:
bonds (distance) C4'-P energy: -76.272
bonds (distance) P-C4' energy: -81.896
flat angles C4'-P-C4' energy: -95.700
flat angles P-C4'-P energy: -56.254
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: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -692.573743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.573743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.573743 (E_RNA)
where:
Base-Base interactions energy: -354.519
where: short stacking energy: -227.425
Base-Backbone interact. energy: 0.282
local terms energy: -338.336694
where:
bonds (distance) C4'-P energy: -82.871
bonds (distance) P-C4' energy: -93.737
flat angles C4'-P-C4' energy: -71.566
flat angles P-C4'-P energy: -43.015
tors. eta vs tors. theta energy: -47.147
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: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -571.115845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.115845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.115845 (E_RNA)
where:
Base-Base interactions energy: -240.062
where: short stacking energy: -153.128
Base-Backbone interact. energy: -0.984
local terms energy: -330.070097
where:
bonds (distance) C4'-P energy: -95.191
bonds (distance) P-C4' energy: -79.926
flat angles C4'-P-C4' energy: -80.441
flat angles P-C4'-P energy: -57.969
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -474.326664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.326664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.326664 (E_RNA)
where:
Base-Base interactions energy: -175.052
where: short stacking energy: -156.297
Base-Backbone interact. energy: 0.374
local terms energy: -299.649038
where:
bonds (distance) C4'-P energy: -81.763
bonds (distance) P-C4' energy: -81.948
flat angles C4'-P-C4' energy: -74.224
flat angles P-C4'-P energy: -50.708
tors. eta vs tors. theta energy: -11.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -403.152932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.152932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.152932 (E_RNA)
where:
Base-Base interactions energy: -139.799
where: short stacking energy: -119.767
Base-Backbone interact. energy: -0.555
local terms energy: -262.799154
where:
bonds (distance) C4'-P energy: -78.744
bonds (distance) P-C4' energy: -80.308
flat angles C4'-P-C4' energy: -72.627
flat angles P-C4'-P energy: -38.516
tors. eta vs tors. theta energy: 7.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -370.210855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.210855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.210855 (E_RNA)
where:
Base-Base interactions energy: -132.819
where: short stacking energy: -114.377
Base-Backbone interact. energy: 0.177
local terms energy: -237.569037
where:
bonds (distance) C4'-P energy: -73.229
bonds (distance) P-C4' energy: -72.189
flat angles C4'-P-C4' energy: -53.906
flat angles P-C4'-P energy: -50.086
tors. eta vs tors. theta energy: 11.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -339.251308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.251308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.251308 (E_RNA)
where:
Base-Base interactions energy: -116.842
where: short stacking energy: -105.565
Base-Backbone interact. energy: -3.967
local terms energy: -218.442965
where:
bonds (distance) C4'-P energy: -61.591
bonds (distance) P-C4' energy: -83.401
flat angles C4'-P-C4' energy: -38.113
flat angles P-C4'-P energy: -41.451
tors. eta vs tors. theta energy: 6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1206.187531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.187531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.187531 (E_RNA)
where:
Base-Base interactions energy: -727.820
where: short stacking energy: -387.489
Base-Backbone interact. energy: -1.654
local terms energy: -476.714370
where:
bonds (distance) C4'-P energy: -90.031
bonds (distance) P-C4' energy: -85.713
flat angles C4'-P-C4' energy: -108.004
flat angles P-C4'-P energy: -74.326
tors. eta vs tors. theta energy: -118.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1167.991084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.991084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.991084 (E_RNA)
where:
Base-Base interactions energy: -676.719
where: short stacking energy: -429.538
Base-Backbone interact. energy: -0.553
local terms energy: -490.719427
where:
bonds (distance) C4'-P energy: -92.939
bonds (distance) P-C4' energy: -99.666
flat angles C4'-P-C4' energy: -104.020
flat angles P-C4'-P energy: -62.332
tors. eta vs tors. theta energy: -131.762
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: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1019.273212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.273212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.273212 (E_RNA)
where:
Base-Base interactions energy: -596.013
where: short stacking energy: -346.929
Base-Backbone interact. energy: 1.082
local terms energy: -424.342077
where:
bonds (distance) C4'-P energy: -80.792
bonds (distance) P-C4' energy: -83.126
flat angles C4'-P-C4' energy: -90.457
flat angles P-C4'-P energy: -66.520
tors. eta vs tors. theta energy: -103.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -770.394669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.394669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.394669 (E_RNA)
where:
Base-Base interactions energy: -395.286
where: short stacking energy: -256.453
Base-Backbone interact. energy: -0.641
local terms energy: -374.467316
where:
bonds (distance) C4'-P energy: -78.819
bonds (distance) P-C4' energy: -104.031
flat angles C4'-P-C4' energy: -76.220
flat angles P-C4'-P energy: -52.552
tors. eta vs tors. theta energy: -62.845
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: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -734.756267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.756267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.756267 (E_RNA)
where:
Base-Base interactions energy: -361.108
where: short stacking energy: -220.927
Base-Backbone interact. energy: 0.899
local terms energy: -374.547442
where:
bonds (distance) C4'-P energy: -96.051
bonds (distance) P-C4' energy: -78.009
flat angles C4'-P-C4' energy: -87.499
flat angles P-C4'-P energy: -50.231
tors. eta vs tors. theta energy: -62.757
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: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -473.123271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.123271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.123271 (E_RNA)
where:
Base-Base interactions energy: -182.370
where: short stacking energy: -152.592
Base-Backbone interact. energy: -1.089
local terms energy: -289.664252
where:
bonds (distance) C4'-P energy: -81.042
bonds (distance) P-C4' energy: -83.425
flat angles C4'-P-C4' energy: -79.076
flat angles P-C4'-P energy: -43.996
tors. eta vs tors. theta energy: -2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -504.320164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.320164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.320164 (E_RNA)
where:
Base-Base interactions energy: -214.857
where: short stacking energy: -150.360
Base-Backbone interact. energy: -2.691
local terms energy: -286.771732
where:
bonds (distance) C4'-P energy: -84.567
bonds (distance) P-C4' energy: -79.934
flat angles C4'-P-C4' energy: -70.568
flat angles P-C4'-P energy: -40.980
tors. eta vs tors. theta energy: -10.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -436.998651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.998651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.998651 (E_RNA)
where:
Base-Base interactions energy: -149.704
where: short stacking energy: -129.897
Base-Backbone interact. energy: 0.667
local terms energy: -287.961352
where:
bonds (distance) C4'-P energy: -69.569
bonds (distance) P-C4' energy: -87.876
flat angles C4'-P-C4' energy: -80.711
flat angles P-C4'-P energy: -45.751
tors. eta vs tors. theta energy: -4.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -401.759426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.759426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.759426 (E_RNA)
where:
Base-Base interactions energy: -138.021
where: short stacking energy: -110.503
Base-Backbone interact. energy: -1.423
local terms energy: -262.315759
where:
bonds (distance) C4'-P energy: -78.432
bonds (distance) P-C4' energy: -87.086
flat angles C4'-P-C4' energy: -59.877
flat angles P-C4'-P energy: -45.781
tors. eta vs tors. theta energy: 8.860
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: 10, replica: 5
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -363.303669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.303669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.303669 (E_RNA)
where:
Base-Base interactions energy: -119.390
where: short stacking energy: -104.169
Base-Backbone interact. energy: 1.596
local terms energy: -245.509473
where:
bonds (distance) C4'-P energy: -64.943
bonds (distance) P-C4' energy: -80.255
flat angles C4'-P-C4' energy: -69.554
flat angles P-C4'-P energy: -40.148
tors. eta vs tors. theta energy: 9.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1217.435203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.435203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.435203 (E_RNA)
where:
Base-Base interactions energy: -738.641
where: short stacking energy: -409.359
Base-Backbone interact. energy: -2.158
local terms energy: -476.635815
where:
bonds (distance) C4'-P energy: -94.501
bonds (distance) P-C4' energy: -99.263
flat angles C4'-P-C4' energy: -98.277
flat angles P-C4'-P energy: -64.847
tors. eta vs tors. theta energy: -119.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1169.528148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.528148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.528148 (E_RNA)
where:
Base-Base interactions energy: -704.240
where: short stacking energy: -418.036
Base-Backbone interact. energy: 1.049
local terms energy: -466.336761
where:
bonds (distance) C4'-P energy: -82.782
bonds (distance) P-C4' energy: -89.039
flat angles C4'-P-C4' energy: -101.203
flat angles P-C4'-P energy: -70.749
tors. eta vs tors. theta energy: -122.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1019.533447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.533447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.533447 (E_RNA)
where:
Base-Base interactions energy: -600.428
where: short stacking energy: -342.936
Base-Backbone interact. energy: -2.630
local terms energy: -416.475870
where:
bonds (distance) C4'-P energy: -87.620
bonds (distance) P-C4' energy: -95.110
flat angles C4'-P-C4' energy: -87.783
flat angles P-C4'-P energy: -49.547
tors. eta vs tors. theta energy: -96.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -787.861994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.861994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.861994 (E_RNA)
where:
Base-Base interactions energy: -403.147
where: short stacking energy: -261.995
Base-Backbone interact. energy: -0.900
local terms energy: -383.815567
where:
bonds (distance) C4'-P energy: -87.568
bonds (distance) P-C4' energy: -84.278
flat angles C4'-P-C4' energy: -91.132
flat angles P-C4'-P energy: -58.906
tors. eta vs tors. theta energy: -61.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -716.809393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.809393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.809393 (E_RNA)
where:
Base-Base interactions energy: -342.469
where: short stacking energy: -210.908
Base-Backbone interact. energy: -0.638
local terms energy: -373.702367
where:
bonds (distance) C4'-P energy: -87.607
bonds (distance) P-C4' energy: -96.511
flat angles C4'-P-C4' energy: -90.898
flat angles P-C4'-P energy: -56.715
tors. eta vs tors. theta energy: -41.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -499.033788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.033788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.033788 (E_RNA)
where:
Base-Base interactions energy: -197.538
where: short stacking energy: -180.333
Base-Backbone interact. energy: -0.197
local terms energy: -301.298607
where:
bonds (distance) C4'-P energy: -76.858
bonds (distance) P-C4' energy: -78.025
flat angles C4'-P-C4' energy: -77.255
flat angles P-C4'-P energy: -44.242
tors. eta vs tors. theta energy: -24.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -498.722436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.722436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.722436 (E_RNA)
where:
Base-Base interactions energy: -201.969
where: short stacking energy: -135.779
Base-Backbone interact. energy: 1.626
local terms energy: -298.379214
where:
bonds (distance) C4'-P energy: -83.056
bonds (distance) P-C4' energy: -75.616
flat angles C4'-P-C4' energy: -80.778
flat angles P-C4'-P energy: -51.846
tors. eta vs tors. theta energy: -7.083
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: 8, replica: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -436.646885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.646885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.646885 (E_RNA)
where:
Base-Base interactions energy: -164.806
where: short stacking energy: -155.164
Base-Backbone interact. energy: 2.618
local terms energy: -274.458916
where:
bonds (distance) C4'-P energy: -73.476
bonds (distance) P-C4' energy: -79.988
flat angles C4'-P-C4' energy: -75.334
flat angles P-C4'-P energy: -38.594
tors. eta vs tors. theta energy: -7.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -387.698884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.698884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.698884 (E_RNA)
where:
Base-Base interactions energy: -118.588
where: short stacking energy: -108.983
Base-Backbone interact. energy: 5.107
local terms energy: -274.218085
where:
bonds (distance) C4'-P energy: -75.147
bonds (distance) P-C4' energy: -90.304
flat angles C4'-P-C4' energy: -77.896
flat angles P-C4'-P energy: -36.269
tors. eta vs tors. theta energy: 5.398
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: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -353.533513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.533513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.533513 (E_RNA)
where:
Base-Base interactions energy: -119.292
where: short stacking energy: -113.853
Base-Backbone interact. energy: -0.986
local terms energy: -233.254798
where:
bonds (distance) C4'-P energy: -81.203
bonds (distance) P-C4' energy: -76.986
flat angles C4'-P-C4' energy: -61.867
flat angles P-C4'-P energy: -22.153
tors. eta vs tors. theta energy: 8.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1209.101807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.101807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.101807 (E_RNA)
where:
Base-Base interactions energy: -731.629
where: short stacking energy: -407.593
Base-Backbone interact. energy: -2.063
local terms energy: -475.409243
where:
bonds (distance) C4'-P energy: -87.551
bonds (distance) P-C4' energy: -100.774
flat angles C4'-P-C4' energy: -102.219
flat angles P-C4'-P energy: -65.215
tors. eta vs tors. theta energy: -119.651
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: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1201.145571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.145571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.145571 (E_RNA)
where:
Base-Base interactions energy: -709.025
where: short stacking energy: -447.970
Base-Backbone interact. energy: -0.719
local terms energy: -491.402203
where:
bonds (distance) C4'-P energy: -80.828
bonds (distance) P-C4' energy: -96.243
flat angles C4'-P-C4' energy: -114.533
flat angles P-C4'-P energy: -64.921
tors. eta vs tors. theta energy: -134.878
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: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1032.602724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.602724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.602724 (E_RNA)
where:
Base-Base interactions energy: -601.456
where: short stacking energy: -351.648
Base-Backbone interact. energy: -1.035
local terms energy: -430.111725
where:
bonds (distance) C4'-P energy: -83.739
bonds (distance) P-C4' energy: -77.440
flat angles C4'-P-C4' energy: -100.931
flat angles P-C4'-P energy: -67.264
tors. eta vs tors. theta energy: -100.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -762.631777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.631777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.631777 (E_RNA)
where:
Base-Base interactions energy: -382.689
where: short stacking energy: -226.147
Base-Backbone interact. energy: -1.152
local terms energy: -378.790611
where:
bonds (distance) C4'-P energy: -97.892
bonds (distance) P-C4' energy: -98.532
flat angles C4'-P-C4' energy: -94.834
flat angles P-C4'-P energy: -50.496
tors. eta vs tors. theta energy: -37.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -701.584939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.584939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.584939 (E_RNA)
where:
Base-Base interactions energy: -353.498
where: short stacking energy: -222.595
Base-Backbone interact. energy: -0.169
local terms energy: -347.918396
where:
bonds (distance) C4'-P energy: -80.066
bonds (distance) P-C4' energy: -92.345
flat angles C4'-P-C4' energy: -78.747
flat angles P-C4'-P energy: -53.453
tors. eta vs tors. theta energy: -43.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -489.258302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.258302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.258302 (E_RNA)
where:
Base-Base interactions energy: -199.441
where: short stacking energy: -166.455
Base-Backbone interact. energy: -2.331
local terms energy: -287.485910
where:
bonds (distance) C4'-P energy: -71.706
bonds (distance) P-C4' energy: -88.061
flat angles C4'-P-C4' energy: -69.633
flat angles P-C4'-P energy: -37.009
tors. eta vs tors. theta energy: -21.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -547.523576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.523576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.523576 (E_RNA)
where:
Base-Base interactions energy: -224.671
where: short stacking energy: -153.772
Base-Backbone interact. energy: -0.240
local terms energy: -322.612638
where:
bonds (distance) C4'-P energy: -85.218
bonds (distance) P-C4' energy: -82.576
flat angles C4'-P-C4' energy: -80.633
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -31.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -401.701047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.701047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.701047 (E_RNA)
where:
Base-Base interactions energy: -136.939
where: short stacking energy: -128.120
Base-Backbone interact. energy: 0.169
local terms energy: -264.931745
where:
bonds (distance) C4'-P energy: -59.420
bonds (distance) P-C4' energy: -79.159
flat angles C4'-P-C4' energy: -68.952
flat angles P-C4'-P energy: -49.579
tors. eta vs tors. theta energy: -7.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -394.090244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.090244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.090244 (E_RNA)
where:
Base-Base interactions energy: -129.689
where: short stacking energy: -112.036
Base-Backbone interact. energy: 2.108
local terms energy: -266.508732
where:
bonds (distance) C4'-P energy: -71.501
bonds (distance) P-C4' energy: -95.090
flat angles C4'-P-C4' energy: -63.350
flat angles P-C4'-P energy: -39.588
tors. eta vs tors. theta energy: 3.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -336.535271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.535271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.535271 (E_RNA)
where:
Base-Base interactions energy: -109.845
where: short stacking energy: -94.676
Base-Backbone interact. energy: 2.106
local terms energy: -228.796264
where:
bonds (distance) C4'-P energy: -75.431
bonds (distance) P-C4' energy: -69.651
flat angles C4'-P-C4' energy: -51.602
flat angles P-C4'-P energy: -43.900
tors. eta vs tors. theta energy: 11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1271.027616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.027616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.027616 (E_RNA)
where:
Base-Base interactions energy: -765.149
where: short stacking energy: -454.595
Base-Backbone interact. energy: -0.202
local terms energy: -505.675964
where:
bonds (distance) C4'-P energy: -97.160
bonds (distance) P-C4' energy: -91.143
flat angles C4'-P-C4' energy: -104.083
flat angles P-C4'-P energy: -77.357
tors. eta vs tors. theta energy: -135.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1198.380294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.380294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.380294 (E_RNA)
where:
Base-Base interactions energy: -704.426
where: short stacking energy: -431.892
Base-Backbone interact. energy: -0.524
local terms energy: -493.429971
where:
bonds (distance) C4'-P energy: -88.012
bonds (distance) P-C4' energy: -95.006
flat angles C4'-P-C4' energy: -99.118
flat angles P-C4'-P energy: -78.753
tors. eta vs tors. theta energy: -132.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1060.869890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.869890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.869890 (E_RNA)
where:
Base-Base interactions energy: -620.228
where: short stacking energy: -345.790
Base-Backbone interact. energy: -2.081
local terms energy: -438.560838
where:
bonds (distance) C4'-P energy: -87.029
bonds (distance) P-C4' energy: -95.382
flat angles C4'-P-C4' energy: -87.746
flat angles P-C4'-P energy: -72.252
tors. eta vs tors. theta energy: -96.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -786.793707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.793707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.793707 (E_RNA)
where:
Base-Base interactions energy: -393.096
where: short stacking energy: -290.078
Base-Backbone interact. energy: -1.668
local terms energy: -392.029472
where:
bonds (distance) C4'-P energy: -76.312
bonds (distance) P-C4' energy: -94.753
flat angles C4'-P-C4' energy: -94.867
flat angles P-C4'-P energy: -56.882
tors. eta vs tors. theta energy: -69.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -703.075606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.075606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.075606 (E_RNA)
where:
Base-Base interactions energy: -341.815
where: short stacking energy: -226.953
Base-Backbone interact. energy: -2.537
local terms energy: -358.723388
where:
bonds (distance) C4'-P energy: -92.668
bonds (distance) P-C4' energy: -84.895
flat angles C4'-P-C4' energy: -91.972
flat angles P-C4'-P energy: -48.864
tors. eta vs tors. theta energy: -40.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -478.794059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.794059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.794059 (E_RNA)
where:
Base-Base interactions energy: -189.239
where: short stacking energy: -173.143
Base-Backbone interact. energy: 0.797
local terms energy: -290.352499
where:
bonds (distance) C4'-P energy: -86.432
bonds (distance) P-C4' energy: -76.192
flat angles C4'-P-C4' energy: -79.273
flat angles P-C4'-P energy: -30.930
tors. eta vs tors. theta energy: -17.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -494.316546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.316546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.316546 (E_RNA)
where:
Base-Base interactions energy: -208.281
where: short stacking energy: -157.866
Base-Backbone interact. energy: 3.046
local terms energy: -289.081895
where:
bonds (distance) C4'-P energy: -70.619
bonds (distance) P-C4' energy: -83.683
flat angles C4'-P-C4' energy: -66.059
flat angles P-C4'-P energy: -47.301
tors. eta vs tors. theta energy: -21.419
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: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -400.662597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.662597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.662597 (E_RNA)
where:
Base-Base interactions energy: -123.638
where: short stacking energy: -103.521
Base-Backbone interact. energy: 2.946
local terms energy: -279.970796
where:
bonds (distance) C4'-P energy: -66.671
bonds (distance) P-C4' energy: -89.975
flat angles C4'-P-C4' energy: -86.807
flat angles P-C4'-P energy: -40.042
tors. eta vs tors. theta energy: 3.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -391.930368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.930368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.930368 (E_RNA)
where:
Base-Base interactions energy: -149.420
where: short stacking energy: -125.550
Base-Backbone interact. energy: 1.411
local terms energy: -243.921505
where:
bonds (distance) C4'-P energy: -70.445
bonds (distance) P-C4' energy: -67.939
flat angles C4'-P-C4' energy: -68.784
flat angles P-C4'-P energy: -37.573
tors. eta vs tors. theta energy: 0.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -342.070260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.070260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.070260 (E_RNA)
where:
Base-Base interactions energy: -118.324
where: short stacking energy: -101.040
Base-Backbone interact. energy: -0.861
local terms energy: -222.884920
where:
bonds (distance) C4'-P energy: -81.761
bonds (distance) P-C4' energy: -67.013
flat angles C4'-P-C4' energy: -72.428
flat angles P-C4'-P energy: -21.514
tors. eta vs tors. theta energy: 19.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1239.424412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.424412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.424412 (E_RNA)
where:
Base-Base interactions energy: -750.063
where: short stacking energy: -413.308
Base-Backbone interact. energy: -0.334
local terms energy: -489.027510
where:
bonds (distance) C4'-P energy: -80.873
bonds (distance) P-C4' energy: -93.712
flat angles C4'-P-C4' energy: -107.725
flat angles P-C4'-P energy: -68.938
tors. eta vs tors. theta energy: -137.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1162.110430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.110430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.110430 (E_RNA)
where:
Base-Base interactions energy: -689.488
where: short stacking energy: -427.952
Base-Backbone interact. energy: -0.648
local terms energy: -471.974918
where:
bonds (distance) C4'-P energy: -99.169
bonds (distance) P-C4' energy: -85.020
flat angles C4'-P-C4' energy: -101.528
flat angles P-C4'-P energy: -55.532
tors. eta vs tors. theta energy: -130.725
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: 3, replica: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1021.413181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.413181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.413181 (E_RNA)
where:
Base-Base interactions energy: -605.214
where: short stacking energy: -350.910
Base-Backbone interact. energy: -2.116
local terms energy: -414.083584
where:
bonds (distance) C4'-P energy: -90.139
bonds (distance) P-C4' energy: -89.942
flat angles C4'-P-C4' energy: -90.525
flat angles P-C4'-P energy: -61.726
tors. eta vs tors. theta energy: -81.752
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: 7
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -728.167317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.167317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.167317 (E_RNA)
where:
Base-Base interactions energy: -354.480
where: short stacking energy: -196.117
Base-Backbone interact. energy: -2.654
local terms energy: -371.033272
where:
bonds (distance) C4'-P energy: -88.095
bonds (distance) P-C4' energy: -97.090
flat angles C4'-P-C4' energy: -89.219
flat angles P-C4'-P energy: -60.133
tors. eta vs tors. theta energy: -36.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -701.511331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.511331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.511331 (E_RNA)
where:
Base-Base interactions energy: -364.704
where: short stacking energy: -230.412
Base-Backbone interact. energy: -0.280
local terms energy: -336.527266
where:
bonds (distance) C4'-P energy: -73.175
bonds (distance) P-C4' energy: -81.251
flat angles C4'-P-C4' energy: -92.862
flat angles P-C4'-P energy: -47.860
tors. eta vs tors. theta energy: -41.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -492.856530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.856530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.856530 (E_RNA)
where:
Base-Base interactions energy: -171.331
where: short stacking energy: -144.621
Base-Backbone interact. energy: -1.085
local terms energy: -320.440996
where:
bonds (distance) C4'-P energy: -72.420
bonds (distance) P-C4' energy: -100.131
flat angles C4'-P-C4' energy: -71.531
flat angles P-C4'-P energy: -57.688
tors. eta vs tors. theta energy: -18.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -516.914268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.914268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.914268 (E_RNA)
where:
Base-Base interactions energy: -234.784
where: short stacking energy: -195.057
Base-Backbone interact. energy: -0.715
local terms energy: -281.415108
where:
bonds (distance) C4'-P energy: -63.268
bonds (distance) P-C4' energy: -80.316
flat angles C4'-P-C4' energy: -76.340
flat angles P-C4'-P energy: -54.795
tors. eta vs tors. theta energy: -6.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -419.077941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.077941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.077941 (E_RNA)
where:
Base-Base interactions energy: -160.644
where: short stacking energy: -107.058
Base-Backbone interact. energy: 0.131
local terms energy: -258.565639
where:
bonds (distance) C4'-P energy: -85.100
bonds (distance) P-C4' energy: -79.758
flat angles C4'-P-C4' energy: -65.989
flat angles P-C4'-P energy: -39.348
tors. eta vs tors. theta energy: 11.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -381.042816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.042816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.042816 (E_RNA)
where:
Base-Base interactions energy: -133.425
where: short stacking energy: -111.437
Base-Backbone interact. energy: -1.351
local terms energy: -246.266616
where:
bonds (distance) C4'-P energy: -80.480
bonds (distance) P-C4' energy: -58.295
flat angles C4'-P-C4' energy: -65.370
flat angles P-C4'-P energy: -41.977
tors. eta vs tors. theta energy: -0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -360.906005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.906005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.906005 (E_RNA)
where:
Base-Base interactions energy: -127.395
where: short stacking energy: -116.838
Base-Backbone interact. energy: -1.307
local terms energy: -232.203612
where:
bonds (distance) C4'-P energy: -63.145
bonds (distance) P-C4' energy: -80.855
flat angles C4'-P-C4' energy: -47.789
flat angles P-C4'-P energy: -36.669
tors. eta vs tors. theta energy: -3.746
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: 6
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1247.206662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.206662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.206662 (E_RNA)
where:
Base-Base interactions energy: -769.325
where: short stacking energy: -453.102
Base-Backbone interact. energy: -0.793
local terms energy: -477.088663
where:
bonds (distance) C4'-P energy: -78.811
bonds (distance) P-C4' energy: -89.557
flat angles C4'-P-C4' energy: -103.985
flat angles P-C4'-P energy: -67.563
tors. eta vs tors. theta energy: -137.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1181.805942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.805942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.805942 (E_RNA)
where:
Base-Base interactions energy: -692.036
where: short stacking energy: -402.294
Base-Backbone interact. energy: -1.691
local terms energy: -488.079852
where:
bonds (distance) C4'-P energy: -90.172
bonds (distance) P-C4' energy: -103.093
flat angles C4'-P-C4' energy: -98.860
flat angles P-C4'-P energy: -72.612
tors. eta vs tors. theta energy: -123.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1061.616452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.616452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.616452 (E_RNA)
where:
Base-Base interactions energy: -618.731
where: short stacking energy: -350.503
Base-Backbone interact. energy: -0.902
local terms energy: -441.983106
where:
bonds (distance) C4'-P energy: -86.910
bonds (distance) P-C4' energy: -86.387
flat angles C4'-P-C4' energy: -101.551
flat angles P-C4'-P energy: -65.728
tors. eta vs tors. theta energy: -101.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -758.664768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.664768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.664768 (E_RNA)
where:
Base-Base interactions energy: -389.709
where: short stacking energy: -243.005
Base-Backbone interact. energy: -0.912
local terms energy: -368.044172
where:
bonds (distance) C4'-P energy: -73.556
bonds (distance) P-C4' energy: -92.781
flat angles C4'-P-C4' energy: -92.113
flat angles P-C4'-P energy: -57.450
tors. eta vs tors. theta energy: -52.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -740.572396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.572396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.572396 (E_RNA)
where:
Base-Base interactions energy: -388.373
where: short stacking energy: -251.835
Base-Backbone interact. energy: -2.107
local terms energy: -350.091798
where:
bonds (distance) C4'-P energy: -77.788
bonds (distance) P-C4' energy: -80.665
flat angles C4'-P-C4' energy: -77.634
flat angles P-C4'-P energy: -57.471
tors. eta vs tors. theta energy: -56.535
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: 9
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -507.333803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.333803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.333803 (E_RNA)
where:
Base-Base interactions energy: -191.971
where: short stacking energy: -156.665
Base-Backbone interact. energy: -1.845
local terms energy: -313.517437
where:
bonds (distance) C4'-P energy: -73.876
bonds (distance) P-C4' energy: -93.175
flat angles C4'-P-C4' energy: -75.843
flat angles P-C4'-P energy: -50.780
tors. eta vs tors. theta energy: -19.844
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: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -509.647497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.647497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.647497 (E_RNA)
where:
Base-Base interactions energy: -223.715
where: short stacking energy: -160.915
Base-Backbone interact. energy: -0.830
local terms energy: -285.102268
where:
bonds (distance) C4'-P energy: -77.104
bonds (distance) P-C4' energy: -77.667
flat angles C4'-P-C4' energy: -80.898
flat angles P-C4'-P energy: -45.962
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -428.549833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.549833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.549833 (E_RNA)
where:
Base-Base interactions energy: -155.641
where: short stacking energy: -114.803
Base-Backbone interact. energy: -1.283
local terms energy: -271.625595
where:
bonds (distance) C4'-P energy: -97.846
bonds (distance) P-C4' energy: -68.861
flat angles C4'-P-C4' energy: -63.263
flat angles P-C4'-P energy: -42.958
tors. eta vs tors. theta energy: 1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -395.020634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.020634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.020634 (E_RNA)
where:
Base-Base interactions energy: -144.835
where: short stacking energy: -120.515
Base-Backbone interact. energy: -1.611
local terms energy: -248.575377
where:
bonds (distance) C4'-P energy: -71.902
bonds (distance) P-C4' energy: -72.733
flat angles C4'-P-C4' energy: -69.818
flat angles P-C4'-P energy: -38.941
tors. eta vs tors. theta energy: 4.818
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: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -342.937179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.937179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.937179 (E_RNA)
where:
Base-Base interactions energy: -129.043
where: short stacking energy: -110.333
Base-Backbone interact. energy: 2.396
local terms energy: -216.289421
where:
bonds (distance) C4'-P energy: -71.032
bonds (distance) P-C4' energy: -68.951
flat angles C4'-P-C4' energy: -50.131
flat angles P-C4'-P energy: -32.491
tors. eta vs tors. theta energy: 6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1243.248989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.248989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.248989 (E_RNA)
where:
Base-Base interactions energy: -736.166
where: short stacking energy: -423.945
Base-Backbone interact. energy: -0.203
local terms energy: -506.879084
where:
bonds (distance) C4'-P energy: -87.264
bonds (distance) P-C4' energy: -105.705
flat angles C4'-P-C4' energy: -104.784
flat angles P-C4'-P energy: -78.416
tors. eta vs tors. theta energy: -130.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1125.232577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.232577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.232577 (E_RNA)
where:
Base-Base interactions energy: -679.199
where: short stacking energy: -379.034
Base-Backbone interact. energy: -1.095
local terms energy: -444.938787
where:
bonds (distance) C4'-P energy: -83.294
bonds (distance) P-C4' energy: -87.141
flat angles C4'-P-C4' energy: -102.985
flat angles P-C4'-P energy: -65.199
tors. eta vs tors. theta energy: -106.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1042.510847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.510847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.510847 (E_RNA)
where:
Base-Base interactions energy: -599.587
where: short stacking energy: -347.411
Base-Backbone interact. energy: -1.803
local terms energy: -441.120410
where:
bonds (distance) C4'-P energy: -76.947
bonds (distance) P-C4' energy: -100.665
flat angles C4'-P-C4' energy: -100.584
flat angles P-C4'-P energy: -68.343
tors. eta vs tors. theta energy: -94.581
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: 243
Temperature: 1.050000
Total energy: -840.296245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.296245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.296245 (E_RNA)
where:
Base-Base interactions energy: -425.905
where: short stacking energy: -267.891
Base-Backbone interact. energy: -1.796
local terms energy: -412.595818
where:
bonds (distance) C4'-P energy: -89.643
bonds (distance) P-C4' energy: -89.822
flat angles C4'-P-C4' energy: -89.769
flat angles P-C4'-P energy: -70.891
tors. eta vs tors. theta energy: -72.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -702.840302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.840302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.840302 (E_RNA)
where:
Base-Base interactions energy: -356.338
where: short stacking energy: -232.559
Base-Backbone interact. energy: -1.362
local terms energy: -345.139964
where:
bonds (distance) C4'-P energy: -64.728
bonds (distance) P-C4' energy: -96.762
flat angles C4'-P-C4' energy: -85.656
flat angles P-C4'-P energy: -55.364
tors. eta vs tors. theta energy: -42.630
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: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -580.307987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.307987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.307987 (E_RNA)
where:
Base-Base interactions energy: -239.059
where: short stacking energy: -179.498
Base-Backbone interact. energy: 0.104
local terms energy: -341.353128
where:
bonds (distance) C4'-P energy: -95.236
bonds (distance) P-C4' energy: -78.876
flat angles C4'-P-C4' energy: -78.593
flat angles P-C4'-P energy: -50.033
tors. eta vs tors. theta energy: -38.616
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: 7, replica: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -477.412747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.412747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.412747 (E_RNA)
where:
Base-Base interactions energy: -186.888
where: short stacking energy: -131.556
Base-Backbone interact. energy: 4.769
local terms energy: -295.293235
where:
bonds (distance) C4'-P energy: -66.380
bonds (distance) P-C4' energy: -88.049
flat angles C4'-P-C4' energy: -77.762
flat angles P-C4'-P energy: -42.993
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -390.568431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.568431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.568431 (E_RNA)
where:
Base-Base interactions energy: -116.081
where: short stacking energy: -104.788
Base-Backbone interact. energy: -1.052
local terms energy: -273.434594
where:
bonds (distance) C4'-P energy: -77.601
bonds (distance) P-C4' energy: -86.172
flat angles C4'-P-C4' energy: -79.674
flat angles P-C4'-P energy: -38.749
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: 5
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -389.954492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.954492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.954492 (E_RNA)
where:
Base-Base interactions energy: -131.697
where: short stacking energy: -122.249
Base-Backbone interact. energy: -1.093
local terms energy: -257.164426
where:
bonds (distance) C4'-P energy: -59.708
bonds (distance) P-C4' energy: -86.547
flat angles C4'-P-C4' energy: -58.474
flat angles P-C4'-P energy: -55.059
tors. eta vs tors. theta energy: 2.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -371.097261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.097261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.097261 (E_RNA)
where:
Base-Base interactions energy: -114.967
where: short stacking energy: -101.650
Base-Backbone interact. energy: -0.733
local terms energy: -255.397016
where:
bonds (distance) C4'-P energy: -76.678
bonds (distance) P-C4' energy: -76.743
flat angles C4'-P-C4' energy: -68.549
flat angles P-C4'-P energy: -44.425
tors. eta vs tors. theta energy: 10.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1221.475626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.475626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.475626 (E_RNA)
where:
Base-Base interactions energy: -733.515
where: short stacking energy: -425.250
Base-Backbone interact. energy: 0.108
local terms energy: -488.068280
where:
bonds (distance) C4'-P energy: -90.741
bonds (distance) P-C4' energy: -99.529
flat angles C4'-P-C4' energy: -106.208
flat angles P-C4'-P energy: -63.318
tors. eta vs tors. theta energy: -128.273
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: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1151.878470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.878470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.878470 (E_RNA)
where:
Base-Base interactions energy: -669.891
where: short stacking energy: -414.097
Base-Backbone interact. energy: 3.150
local terms energy: -485.137474
where:
bonds (distance) C4'-P energy: -89.525
bonds (distance) P-C4' energy: -83.364
flat angles C4'-P-C4' energy: -97.168
flat angles P-C4'-P energy: -80.857
tors. eta vs tors. theta energy: -134.224
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: 4
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1038.493847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.493847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.493847 (E_RNA)
where:
Base-Base interactions energy: -609.377
where: short stacking energy: -360.842
Base-Backbone interact. energy: -1.526
local terms energy: -427.591118
where:
bonds (distance) C4'-P energy: -88.947
bonds (distance) P-C4' energy: -92.546
flat angles C4'-P-C4' energy: -86.638
flat angles P-C4'-P energy: -62.494
tors. eta vs tors. theta energy: -96.966
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: 4, replica: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -775.700173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.700173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.700173 (E_RNA)
where:
Base-Base interactions energy: -401.286
where: short stacking energy: -269.174
Base-Backbone interact. energy: 2.329
local terms energy: -376.744006
where:
bonds (distance) C4'-P energy: -82.919
bonds (distance) P-C4' energy: -91.528
flat angles C4'-P-C4' energy: -88.339
flat angles P-C4'-P energy: -56.575
tors. eta vs tors. theta energy: -57.384
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: 3
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -645.022487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.022487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.022487 (E_RNA)
where:
Base-Base interactions energy: -313.045
where: short stacking energy: -189.929
Base-Backbone interact. energy: -0.358
local terms energy: -331.619636
where:
bonds (distance) C4'-P energy: -77.336
bonds (distance) P-C4' energy: -80.114
flat angles C4'-P-C4' energy: -84.871
flat angles P-C4'-P energy: -57.906
tors. eta vs tors. theta energy: -31.393
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: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -583.570262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.570262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.570262 (E_RNA)
where:
Base-Base interactions energy: -270.705
where: short stacking energy: -167.011
Base-Backbone interact. energy: -1.158
local terms energy: -311.707365
where:
bonds (distance) C4'-P energy: -78.793
bonds (distance) P-C4' energy: -77.588
flat angles C4'-P-C4' energy: -89.053
flat angles P-C4'-P energy: -34.502
tors. eta vs tors. theta energy: -31.772
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: 7, replica: 9
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -481.546018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.546018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.546018 (E_RNA)
where:
Base-Base interactions energy: -174.322
where: short stacking energy: -134.062
Base-Backbone interact. energy: -1.713
local terms energy: -305.510847
where:
bonds (distance) C4'-P energy: -77.194
bonds (distance) P-C4' energy: -88.563
flat angles C4'-P-C4' energy: -80.238
flat angles P-C4'-P energy: -47.736
tors. eta vs tors. theta energy: -11.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -419.873469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.873469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.873469 (E_RNA)
where:
Base-Base interactions energy: -151.411
where: short stacking energy: -123.256
Base-Backbone interact. energy: -1.504
local terms energy: -266.958845
where:
bonds (distance) C4'-P energy: -85.354
bonds (distance) P-C4' energy: -86.214
flat angles C4'-P-C4' energy: -72.174
flat angles P-C4'-P energy: -31.520
tors. eta vs tors. theta energy: 8.302
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: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -367.221914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.221914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.221914 (E_RNA)
where:
Base-Base interactions energy: -127.517
where: short stacking energy: -96.540
Base-Backbone interact. energy: 3.453
local terms energy: -243.157749
where:
bonds (distance) C4'-P energy: -74.772
bonds (distance) P-C4' energy: -77.753
flat angles C4'-P-C4' energy: -65.422
flat angles P-C4'-P energy: -41.211
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: 5
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -335.548980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.548980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.548980 (E_RNA)
where:
Base-Base interactions energy: -99.777
where: short stacking energy: -91.008
Base-Backbone interact. energy: -1.981
local terms energy: -233.790550
where:
bonds (distance) C4'-P energy: -55.977
bonds (distance) P-C4' energy: -84.212
flat angles C4'-P-C4' energy: -68.468
flat angles P-C4'-P energy: -44.541
tors. eta vs tors. theta energy: 19.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1201.397317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.397317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.397317 (E_RNA)
where:
Base-Base interactions energy: -694.109
where: short stacking energy: -422.396
Base-Backbone interact. energy: 1.989
local terms energy: -509.277720
where:
bonds (distance) C4'-P energy: -92.473
bonds (distance) P-C4' energy: -105.422
flat angles C4'-P-C4' energy: -105.453
flat angles P-C4'-P energy: -65.363
tors. eta vs tors. theta energy: -140.567
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: 245
Temperature: 0.950000
Total energy: -1153.404590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.404590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.404590 (E_RNA)
where:
Base-Base interactions energy: -685.755
where: short stacking energy: -427.714
Base-Backbone interact. energy: -0.697
local terms energy: -466.952274
where:
bonds (distance) C4'-P energy: -81.599
bonds (distance) P-C4' energy: -82.209
flat angles C4'-P-C4' energy: -105.958
flat angles P-C4'-P energy: -65.038
tors. eta vs tors. theta energy: -132.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1071.833097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.833097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.833097 (E_RNA)
where:
Base-Base interactions energy: -626.943
where: short stacking energy: -382.882
Base-Backbone interact. energy: -0.138
local terms energy: -444.752240
where:
bonds (distance) C4'-P energy: -87.761
bonds (distance) P-C4' energy: -83.060
flat angles C4'-P-C4' energy: -108.467
flat angles P-C4'-P energy: -58.654
tors. eta vs tors. theta energy: -106.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -830.924413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.924413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.924413 (E_RNA)
where:
Base-Base interactions energy: -444.573
where: short stacking energy: -287.888
Base-Backbone interact. energy: -0.845
local terms energy: -385.505873
where:
bonds (distance) C4'-P energy: -86.247
bonds (distance) P-C4' energy: -82.261
flat angles C4'-P-C4' energy: -83.289
flat angles P-C4'-P energy: -64.799
tors. eta vs tors. theta energy: -68.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -644.099200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.099200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.099200 (E_RNA)
where:
Base-Base interactions energy: -332.327
where: short stacking energy: -212.588
Base-Backbone interact. energy: -0.293
local terms energy: -311.479359
where:
bonds (distance) C4'-P energy: -73.922
bonds (distance) P-C4' energy: -68.060
flat angles C4'-P-C4' energy: -86.539
flat angles P-C4'-P energy: -45.755
tors. eta vs tors. theta energy: -37.203
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: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -624.928361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.928361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.928361 (E_RNA)
where:
Base-Base interactions energy: -284.116
where: short stacking energy: -191.717
Base-Backbone interact. energy: -1.845
local terms energy: -338.967088
where:
bonds (distance) C4'-P energy: -91.039
bonds (distance) P-C4' energy: -85.181
flat angles C4'-P-C4' energy: -94.819
flat angles P-C4'-P energy: -48.069
tors. eta vs tors. theta energy: -19.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -446.986003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.986003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.986003 (E_RNA)
where:
Base-Base interactions energy: -163.912
where: short stacking energy: -150.275
Base-Backbone interact. energy: 0.293
local terms energy: -283.367260
where:
bonds (distance) C4'-P energy: -92.261
bonds (distance) P-C4' energy: -79.045
flat angles C4'-P-C4' energy: -62.293
flat angles P-C4'-P energy: -48.880
tors. eta vs tors. theta energy: -0.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -396.109242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.109242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.109242 (E_RNA)
where:
Base-Base interactions energy: -139.560
where: short stacking energy: -107.750
Base-Backbone interact. energy: -0.677
local terms energy: -255.872231
where:
bonds (distance) C4'-P energy: -78.098
bonds (distance) P-C4' energy: -96.621
flat angles C4'-P-C4' energy: -44.642
flat angles P-C4'-P energy: -42.656
tors. eta vs tors. theta energy: 6.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -391.779271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.779271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.779271 (E_RNA)
where:
Base-Base interactions energy: -144.224
where: short stacking energy: -131.676
Base-Backbone interact. energy: -2.432
local terms energy: -245.123161
where:
bonds (distance) C4'-P energy: -48.220
bonds (distance) P-C4' energy: -96.000
flat angles C4'-P-C4' energy: -72.111
flat angles P-C4'-P energy: -27.943
tors. eta vs tors. theta energy: -0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -351.664265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.664265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.664265 (E_RNA)
where:
Base-Base interactions energy: -105.301
where: short stacking energy: -100.529
Base-Backbone interact. energy: 3.067
local terms energy: -249.430259
where:
bonds (distance) C4'-P energy: -75.500
bonds (distance) P-C4' energy: -89.842
flat angles C4'-P-C4' energy: -67.166
flat angles P-C4'-P energy: -34.163
tors. eta vs tors. theta energy: 17.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1211.036453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.036453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.036453 (E_RNA)
where:
Base-Base interactions energy: -702.156
where: short stacking energy: -410.805
Base-Backbone interact. energy: -1.377
local terms energy: -507.502972
where:
bonds (distance) C4'-P energy: -95.896
bonds (distance) P-C4' energy: -102.358
flat angles C4'-P-C4' energy: -109.930
flat angles P-C4'-P energy: -70.385
tors. eta vs tors. theta energy: -128.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1153.457288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.457288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.457288 (E_RNA)
where:
Base-Base interactions energy: -683.327
where: short stacking energy: -412.151
Base-Backbone interact. energy: -1.027
local terms energy: -469.103586
where:
bonds (distance) C4'-P energy: -81.769
bonds (distance) P-C4' energy: -91.058
flat angles C4'-P-C4' energy: -93.913
flat angles P-C4'-P energy: -65.452
tors. eta vs tors. theta energy: -136.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1053.842319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.842319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.842319 (E_RNA)
where:
Base-Base interactions energy: -608.882
where: short stacking energy: -366.247
Base-Backbone interact. energy: 1.406
local terms energy: -446.366609
where:
bonds (distance) C4'-P energy: -86.287
bonds (distance) P-C4' energy: -98.508
flat angles C4'-P-C4' energy: -103.399
flat angles P-C4'-P energy: -57.631
tors. eta vs tors. theta energy: -100.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -807.300405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.300405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.300405 (E_RNA)
where:
Base-Base interactions energy: -414.998
where: short stacking energy: -261.546
Base-Backbone interact. energy: -0.168
local terms energy: -392.134571
where:
bonds (distance) C4'-P energy: -85.506
bonds (distance) P-C4' energy: -88.608
flat angles C4'-P-C4' energy: -99.361
flat angles P-C4'-P energy: -59.570
tors. eta vs tors. theta energy: -59.090
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: 5, replica: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -668.792125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.792125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.792125 (E_RNA)
where:
Base-Base interactions energy: -312.639
where: short stacking energy: -214.771
Base-Backbone interact. energy: -1.958
local terms energy: -354.195303
where:
bonds (distance) C4'-P energy: -82.399
bonds (distance) P-C4' energy: -98.709
flat angles C4'-P-C4' energy: -76.364
flat angles P-C4'-P energy: -60.580
tors. eta vs tors. theta energy: -36.144
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: 6, replica: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -616.674321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.674321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.674321 (E_RNA)
where:
Base-Base interactions energy: -292.638
where: short stacking energy: -192.157
Base-Backbone interact. energy: -2.606
local terms energy: -321.429943
where:
bonds (distance) C4'-P energy: -82.285
bonds (distance) P-C4' energy: -78.728
flat angles C4'-P-C4' energy: -79.673
flat angles P-C4'-P energy: -53.287
tors. eta vs tors. theta energy: -27.457
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: 1
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -467.081180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.081180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.081180 (E_RNA)
where:
Base-Base interactions energy: -162.455
where: short stacking energy: -149.997
Base-Backbone interact. energy: -0.492
local terms energy: -304.133719
where:
bonds (distance) C4'-P energy: -85.298
bonds (distance) P-C4' energy: -95.400
flat angles C4'-P-C4' energy: -82.566
flat angles P-C4'-P energy: -39.423
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: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -418.766394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.766394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.766394 (E_RNA)
where:
Base-Base interactions energy: -147.578
where: short stacking energy: -112.806
Base-Backbone interact. energy: -0.882
local terms energy: -270.306605
where:
bonds (distance) C4'-P energy: -79.836
bonds (distance) P-C4' energy: -92.537
flat angles C4'-P-C4' energy: -73.506
flat angles P-C4'-P energy: -44.027
tors. eta vs tors. theta energy: 19.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -390.816288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.816288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.816288 (E_RNA)
where:
Base-Base interactions energy: -119.646
where: short stacking energy: -115.466
Base-Backbone interact. energy: 3.022
local terms energy: -274.192600
where:
bonds (distance) C4'-P energy: -78.403
bonds (distance) P-C4' energy: -85.767
flat angles C4'-P-C4' energy: -68.702
flat angles P-C4'-P energy: -46.178
tors. eta vs tors. theta energy: 4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -339.521793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.521793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.521793 (E_RNA)
where:
Base-Base interactions energy: -93.400
where: short stacking energy: -90.123
Base-Backbone interact. energy: -2.431
local terms energy: -243.691415
where:
bonds (distance) C4'-P energy: -91.130
bonds (distance) P-C4' energy: -83.343
flat angles C4'-P-C4' energy: -53.072
flat angles P-C4'-P energy: -40.149
tors. eta vs tors. theta energy: 24.002
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: 6
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1252.776003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.776003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.776003 (E_RNA)
where:
Base-Base interactions energy: -741.327
where: short stacking energy: -432.716
Base-Backbone interact. energy: -1.857
local terms energy: -509.591735
where:
bonds (distance) C4'-P energy: -95.692
bonds (distance) P-C4' energy: -91.861
flat angles C4'-P-C4' energy: -107.272
flat angles P-C4'-P energy: -76.102
tors. eta vs tors. theta energy: -138.664
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: 247
Temperature: 0.950000
Total energy: -1104.213654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.213654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.213654 (E_RNA)
where:
Base-Base interactions energy: -642.473
where: short stacking energy: -400.433
Base-Backbone interact. energy: -2.057
local terms energy: -459.683064
where:
bonds (distance) C4'-P energy: -92.115
bonds (distance) P-C4' energy: -100.766
flat angles C4'-P-C4' energy: -98.620
flat angles P-C4'-P energy: -59.730
tors. eta vs tors. theta energy: -108.452
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: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1115.635487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.635487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.635487 (E_RNA)
where:
Base-Base interactions energy: -673.965
where: short stacking energy: -412.397
Base-Backbone interact. energy: 0.024
local terms energy: -441.694634
where:
bonds (distance) C4'-P energy: -84.575
bonds (distance) P-C4' energy: -79.457
flat angles C4'-P-C4' energy: -95.091
flat angles P-C4'-P energy: -63.640
tors. eta vs tors. theta energy: -118.932
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: 7
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -827.860716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.860716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.860716 (E_RNA)
where:
Base-Base interactions energy: -447.148
where: short stacking energy: -264.244
Base-Backbone interact. energy: -1.956
local terms energy: -378.757531
where:
bonds (distance) C4'-P energy: -77.772
bonds (distance) P-C4' energy: -88.029
flat angles C4'-P-C4' energy: -82.357
flat angles P-C4'-P energy: -61.825
tors. eta vs tors. theta energy: -68.775
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: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -664.382422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.382422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.382422 (E_RNA)
where:
Base-Base interactions energy: -335.265
where: short stacking energy: -216.088
Base-Backbone interact. energy: -0.884
local terms energy: -328.233743
where:
bonds (distance) C4'-P energy: -66.208
bonds (distance) P-C4' energy: -91.844
flat angles C4'-P-C4' energy: -79.958
flat angles P-C4'-P energy: -42.155
tors. eta vs tors. theta energy: -48.069
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: 6, replica: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -614.596695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.596695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.596695 (E_RNA)
where:
Base-Base interactions energy: -288.040
where: short stacking energy: -185.212
Base-Backbone interact. energy: -1.677
local terms energy: -324.879625
where:
bonds (distance) C4'-P energy: -90.640
bonds (distance) P-C4' energy: -72.260
flat angles C4'-P-C4' energy: -84.180
flat angles P-C4'-P energy: -42.292
tors. eta vs tors. theta energy: -35.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -472.892153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.892153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.892153 (E_RNA)
where:
Base-Base interactions energy: -206.351
where: short stacking energy: -169.647
Base-Backbone interact. energy: 0.501
local terms energy: -267.042244
where:
bonds (distance) C4'-P energy: -67.061
bonds (distance) P-C4' energy: -81.366
flat angles C4'-P-C4' energy: -71.985
flat angles P-C4'-P energy: -38.103
tors. eta vs tors. theta energy: -8.528
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: 8, replica: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -433.129443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.129443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.129443 (E_RNA)
where:
Base-Base interactions energy: -164.703
where: short stacking energy: -130.317
Base-Backbone interact. energy: 2.651
local terms energy: -271.077855
where:
bonds (distance) C4'-P energy: -75.753
bonds (distance) P-C4' energy: -71.462
flat angles C4'-P-C4' energy: -63.734
flat angles P-C4'-P energy: -54.260
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -367.561898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.561898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.561898 (E_RNA)
where:
Base-Base interactions energy: -127.010
where: short stacking energy: -109.990
Base-Backbone interact. energy: 0.875
local terms energy: -241.427185
where:
bonds (distance) C4'-P energy: -64.970
bonds (distance) P-C4' energy: -93.325
flat angles C4'-P-C4' energy: -46.724
flat angles P-C4'-P energy: -36.996
tors. eta vs tors. theta energy: 0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -365.178677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.178677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.178677 (E_RNA)
where:
Base-Base interactions energy: -146.684
where: short stacking energy: -122.089
Base-Backbone interact. energy: -0.927
local terms energy: -217.568451
where:
bonds (distance) C4'-P energy: -66.371
bonds (distance) P-C4' energy: -83.214
flat angles C4'-P-C4' energy: -61.168
flat angles P-C4'-P energy: -27.860
tors. eta vs tors. theta energy: 21.045
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: 6
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1203.100068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.100068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.100068 (E_RNA)
where:
Base-Base interactions energy: -714.877
where: short stacking energy: -421.824
Base-Backbone interact. energy: -0.522
local terms energy: -487.701335
where:
bonds (distance) C4'-P energy: -92.641
bonds (distance) P-C4' energy: -100.135
flat angles C4'-P-C4' energy: -102.257
flat angles P-C4'-P energy: -69.361
tors. eta vs tors. theta energy: -123.307
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: 248
Temperature: 0.950000
Total energy: -1122.336840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.336840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.336840 (E_RNA)
where:
Base-Base interactions energy: -663.729
where: short stacking energy: -393.613
Base-Backbone interact. energy: -1.467
local terms energy: -457.140790
where:
bonds (distance) C4'-P energy: -83.506
bonds (distance) P-C4' energy: -104.561
flat angles C4'-P-C4' energy: -91.266
flat angles P-C4'-P energy: -58.212
tors. eta vs tors. theta energy: -119.596
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: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1106.724051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.724051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.724051 (E_RNA)
where:
Base-Base interactions energy: -652.670
where: short stacking energy: -392.063
Base-Backbone interact. energy: -0.870
local terms energy: -453.184093
where:
bonds (distance) C4'-P energy: -77.590
bonds (distance) P-C4' energy: -88.007
flat angles C4'-P-C4' energy: -95.784
flat angles P-C4'-P energy: -63.351
tors. eta vs tors. theta energy: -128.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -799.443962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.443962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.443962 (E_RNA)
where:
Base-Base interactions energy: -426.463
where: short stacking energy: -258.579
Base-Backbone interact. energy: 2.155
local terms energy: -375.136105
where:
bonds (distance) C4'-P energy: -83.844
bonds (distance) P-C4' energy: -85.422
flat angles C4'-P-C4' energy: -93.041
flat angles P-C4'-P energy: -50.497
tors. eta vs tors. theta energy: -62.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -700.314799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.314799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.314799 (E_RNA)
where:
Base-Base interactions energy: -335.964
where: short stacking energy: -239.299
Base-Backbone interact. energy: -0.572
local terms energy: -363.778958
where:
bonds (distance) C4'-P energy: -87.546
bonds (distance) P-C4' energy: -91.321
flat angles C4'-P-C4' energy: -79.187
flat angles P-C4'-P energy: -55.123
tors. eta vs tors. theta energy: -50.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -634.972050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.972050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.972050 (E_RNA)
where:
Base-Base interactions energy: -301.556
where: short stacking energy: -199.376
Base-Backbone interact. energy: 1.742
local terms energy: -335.158500
where:
bonds (distance) C4'-P energy: -77.718
bonds (distance) P-C4' energy: -87.691
flat angles C4'-P-C4' energy: -87.213
flat angles P-C4'-P energy: -48.693
tors. eta vs tors. theta energy: -33.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -456.837396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.837396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.837396 (E_RNA)
where:
Base-Base interactions energy: -174.317
where: short stacking energy: -157.738
Base-Backbone interact. energy: -1.134
local terms energy: -281.386588
where:
bonds (distance) C4'-P energy: -57.887
bonds (distance) P-C4' energy: -80.162
flat angles C4'-P-C4' energy: -79.789
flat angles P-C4'-P energy: -57.545
tors. eta vs tors. theta energy: -6.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -418.781181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.781181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.781181 (E_RNA)
where:
Base-Base interactions energy: -154.592
where: short stacking energy: -129.477
Base-Backbone interact. energy: 2.266
local terms energy: -266.455091
where:
bonds (distance) C4'-P energy: -79.954
bonds (distance) P-C4' energy: -83.319
flat angles C4'-P-C4' energy: -72.105
flat angles P-C4'-P energy: -26.636
tors. eta vs tors. theta energy: -4.441
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: 9, replica: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -377.001282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.001282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.001282 (E_RNA)
where:
Base-Base interactions energy: -120.209
where: short stacking energy: -99.595
Base-Backbone interact. energy: 1.006
local terms energy: -257.798481
where:
bonds (distance) C4'-P energy: -70.492
bonds (distance) P-C4' energy: -86.191
flat angles C4'-P-C4' energy: -69.156
flat angles P-C4'-P energy: -31.029
tors. eta vs tors. theta energy: -0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -338.532748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.532748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.532748 (E_RNA)
where:
Base-Base interactions energy: -108.559
where: short stacking energy: -91.209
Base-Backbone interact. energy: 2.330
local terms energy: -232.304022
where:
bonds (distance) C4'-P energy: -57.850
bonds (distance) P-C4' energy: -86.437
flat angles C4'-P-C4' energy: -64.654
flat angles P-C4'-P energy: -36.354
tors. eta vs tors. theta energy: 12.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1223.062991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.062991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.062991 (E_RNA)
where:
Base-Base interactions energy: -714.399
where: short stacking energy: -433.668
Base-Backbone interact. energy: -2.359
local terms energy: -506.305069
where:
bonds (distance) C4'-P energy: -96.978
bonds (distance) P-C4' energy: -91.084
flat angles C4'-P-C4' energy: -111.525
flat angles P-C4'-P energy: -70.572
tors. eta vs tors. theta energy: -136.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1116.103992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.103992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.103992 (E_RNA)
where:
Base-Base interactions energy: -666.990
where: short stacking energy: -380.849
Base-Backbone interact. energy: -1.412
local terms energy: -447.701287
where:
bonds (distance) C4'-P energy: -81.892
bonds (distance) P-C4' energy: -89.108
flat angles C4'-P-C4' energy: -100.256
flat angles P-C4'-P energy: -66.277
tors. eta vs tors. theta energy: -110.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1023.798200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.798200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.798200 (E_RNA)
where:
Base-Base interactions energy: -605.945
where: short stacking energy: -341.347
Base-Backbone interact. energy: -0.094
local terms energy: -417.759292
where:
bonds (distance) C4'-P energy: -75.388
bonds (distance) P-C4' energy: -85.790
flat angles C4'-P-C4' energy: -102.576
flat angles P-C4'-P energy: -60.234
tors. eta vs tors. theta energy: -93.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -840.547202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.547202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.547202 (E_RNA)
where:
Base-Base interactions energy: -449.910
where: short stacking energy: -252.656
Base-Backbone interact. energy: -0.955
local terms energy: -389.682366
where:
bonds (distance) C4'-P energy: -91.765
bonds (distance) P-C4' energy: -92.466
flat angles C4'-P-C4' energy: -90.768
flat angles P-C4'-P energy: -53.530
tors. eta vs tors. theta energy: -61.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -669.421700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.421700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.421700 (E_RNA)
where:
Base-Base interactions energy: -322.481
where: short stacking energy: -212.465
Base-Backbone interact. energy: 3.099
local terms energy: -350.039631
where:
bonds (distance) C4'-P energy: -90.691
bonds (distance) P-C4' energy: -86.274
flat angles C4'-P-C4' energy: -86.089
flat angles P-C4'-P energy: -57.254
tors. eta vs tors. theta energy: -29.731
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: 249
Temperature: 1.150000
Total energy: -629.579570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.579570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.579570 (E_RNA)
where:
Base-Base interactions energy: -298.961
where: short stacking energy: -213.926
Base-Backbone interact. energy: -1.585
local terms energy: -329.033746
where:
bonds (distance) C4'-P energy: -58.624
bonds (distance) P-C4' energy: -91.710
flat angles C4'-P-C4' energy: -80.919
flat angles P-C4'-P energy: -49.762
tors. eta vs tors. theta energy: -48.019
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: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -457.081560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.081560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.081560 (E_RNA)
where:
Base-Base interactions energy: -190.096
where: short stacking energy: -178.411
Base-Backbone interact. energy: 0.873
local terms energy: -267.858858
where:
bonds (distance) C4'-P energy: -72.262
bonds (distance) P-C4' energy: -69.838
flat angles C4'-P-C4' energy: -71.548
flat angles P-C4'-P energy: -39.769
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: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -414.433476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.433476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.433476 (E_RNA)
where:
Base-Base interactions energy: -170.434
where: short stacking energy: -132.050
Base-Backbone interact. energy: 3.438
local terms energy: -247.437679
where:
bonds (distance) C4'-P energy: -77.547
bonds (distance) P-C4' energy: -71.861
flat angles C4'-P-C4' energy: -76.756
flat angles P-C4'-P energy: -34.327
tors. eta vs tors. theta energy: 13.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -385.445666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.445666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.445666 (E_RNA)
where:
Base-Base interactions energy: -116.860
where: short stacking energy: -101.905
Base-Backbone interact. energy: 0.147
local terms energy: -268.732414
where:
bonds (distance) C4'-P energy: -86.377
bonds (distance) P-C4' energy: -83.916
flat angles C4'-P-C4' energy: -57.088
flat angles P-C4'-P energy: -46.978
tors. eta vs tors. theta energy: 5.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -376.480386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.480386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.480386 (E_RNA)
where:
Base-Base interactions energy: -110.736
where: short stacking energy: -101.023
Base-Backbone interact. energy: 2.270
local terms energy: -268.014981
where:
bonds (distance) C4'-P energy: -61.605
bonds (distance) P-C4' energy: -85.752
flat angles C4'-P-C4' energy: -81.495
flat angles P-C4'-P energy: -35.419
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1204.961340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.961340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.961340 (E_RNA)
where:
Base-Base interactions energy: -724.662
where: short stacking energy: -409.861
Base-Backbone interact. energy: -1.575
local terms energy: -478.723721
where:
bonds (distance) C4'-P energy: -91.360
bonds (distance) P-C4' energy: -91.916
flat angles C4'-P-C4' energy: -107.006
flat angles P-C4'-P energy: -68.492
tors. eta vs tors. theta energy: -119.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1133.961603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.961603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.961603 (E_RNA)
where:
Base-Base interactions energy: -661.106
where: short stacking energy: -398.717
Base-Backbone interact. energy: -0.132
local terms energy: -472.723396
where:
bonds (distance) C4'-P energy: -99.171
bonds (distance) P-C4' energy: -98.630
flat angles C4'-P-C4' energy: -96.154
flat angles P-C4'-P energy: -65.656
tors. eta vs tors. theta energy: -113.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1054.277368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.277368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.277368 (E_RNA)
where:
Base-Base interactions energy: -590.306
where: short stacking energy: -357.849
Base-Backbone interact. energy: -1.994
local terms energy: -461.978074
where:
bonds (distance) C4'-P energy: -94.073
bonds (distance) P-C4' energy: -97.013
flat angles C4'-P-C4' energy: -103.555
flat angles P-C4'-P energy: -68.140
tors. eta vs tors. theta energy: -99.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -839.362469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.362469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.362469 (E_RNA)
where:
Base-Base interactions energy: -441.368
where: short stacking energy: -293.388
Base-Backbone interact. energy: -2.814
local terms energy: -395.181123
where:
bonds (distance) C4'-P energy: -83.868
bonds (distance) P-C4' energy: -85.074
flat angles C4'-P-C4' energy: -98.027
flat angles P-C4'-P energy: -53.705
tors. eta vs tors. theta energy: -74.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -692.152207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.152207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.152207 (E_RNA)
where:
Base-Base interactions energy: -343.069
where: short stacking energy: -224.495
Base-Backbone interact. energy: 0.420
local terms energy: -349.504100
where:
bonds (distance) C4'-P energy: -88.764
bonds (distance) P-C4' energy: -91.774
flat angles C4'-P-C4' energy: -80.643
flat angles P-C4'-P energy: -50.532
tors. eta vs tors. theta energy: -37.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -604.953933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.953933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.953933 (E_RNA)
where:
Base-Base interactions energy: -272.391
where: short stacking energy: -182.967
Base-Backbone interact. energy: -1.455
local terms energy: -331.108478
where:
bonds (distance) C4'-P energy: -85.171
bonds (distance) P-C4' energy: -82.522
flat angles C4'-P-C4' energy: -94.305
flat angles P-C4'-P energy: -50.501
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -451.923184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.923184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.923184 (E_RNA)
where:
Base-Base interactions energy: -157.619
where: short stacking energy: -143.450
Base-Backbone interact. energy: 0.182
local terms energy: -294.485850
where:
bonds (distance) C4'-P energy: -77.982
bonds (distance) P-C4' energy: -80.018
flat angles C4'-P-C4' energy: -78.674
flat angles P-C4'-P energy: -50.391
tors. eta vs tors. theta energy: -7.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -407.498205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.498205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.498205 (E_RNA)
where:
Base-Base interactions energy: -150.849
where: short stacking energy: -125.774
Base-Backbone interact. energy: -1.425
local terms energy: -255.224884
where:
bonds (distance) C4'-P energy: -77.247
bonds (distance) P-C4' energy: -77.624
flat angles C4'-P-C4' energy: -60.568
flat angles P-C4'-P energy: -42.333
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: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -370.240299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.240299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.240299 (E_RNA)
where:
Base-Base interactions energy: -117.352
where: short stacking energy: -107.805
Base-Backbone interact. energy: 1.030
local terms energy: -253.918209
where:
bonds (distance) C4'-P energy: -87.460
bonds (distance) P-C4' energy: -80.704
flat angles C4'-P-C4' energy: -60.185
flat angles P-C4'-P energy: -44.007
tors. eta vs tors. theta energy: 18.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -341.133139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.133139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.133139 (E_RNA)
where:
Base-Base interactions energy: -117.951
where: short stacking energy: -80.126
Base-Backbone interact. energy: -0.870
local terms energy: -222.312008
where:
bonds (distance) C4'-P energy: -86.010
bonds (distance) P-C4' energy: -68.098
flat angles C4'-P-C4' energy: -43.108
flat angles P-C4'-P energy: -52.208
tors. eta vs tors. theta energy: 27.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1240.883438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.883438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.883438 (E_RNA)
where:
Base-Base interactions energy: -758.323
where: short stacking energy: -412.112
Base-Backbone interact. energy: -1.509
local terms energy: -481.051155
where:
bonds (distance) C4'-P energy: -99.209
bonds (distance) P-C4' energy: -100.265
flat angles C4'-P-C4' energy: -106.329
flat angles P-C4'-P energy: -53.696
tors. eta vs tors. theta energy: -121.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1123.110847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.110847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.110847 (E_RNA)
where:
Base-Base interactions energy: -639.189
where: short stacking energy: -384.966
Base-Backbone interact. energy: -0.518
local terms energy: -483.404531
where:
bonds (distance) C4'-P energy: -90.950
bonds (distance) P-C4' energy: -97.650
flat angles C4'-P-C4' energy: -103.167
flat angles P-C4'-P energy: -70.155
tors. eta vs tors. theta energy: -121.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1034.260012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.260012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.260012 (E_RNA)
where:
Base-Base interactions energy: -615.035
where: short stacking energy: -342.990
Base-Backbone interact. energy: -0.198
local terms energy: -419.026881
where:
bonds (distance) C4'-P energy: -95.918
bonds (distance) P-C4' energy: -87.389
flat angles C4'-P-C4' energy: -84.337
flat angles P-C4'-P energy: -57.651
tors. eta vs tors. theta energy: -93.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -812.268496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.268496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.268496 (E_RNA)
where:
Base-Base interactions energy: -456.289
where: short stacking energy: -278.482
Base-Backbone interact. energy: -0.467
local terms energy: -355.512799
where:
bonds (distance) C4'-P energy: -85.941
bonds (distance) P-C4' energy: -79.292
flat angles C4'-P-C4' energy: -88.871
flat angles P-C4'-P energy: -47.813
tors. eta vs tors. theta energy: -53.596
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: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -714.312844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.312844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.312844 (E_RNA)
where:
Base-Base interactions energy: -356.412
where: short stacking energy: -224.780
Base-Backbone interact. energy: 0.409
local terms energy: -358.309395
where:
bonds (distance) C4'-P energy: -83.898
bonds (distance) P-C4' energy: -88.982
flat angles C4'-P-C4' energy: -86.161
flat angles P-C4'-P energy: -60.377
tors. eta vs tors. theta energy: -38.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -638.336056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.336056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.336056 (E_RNA)
where:
Base-Base interactions energy: -277.790
where: short stacking energy: -195.101
Base-Backbone interact. energy: -0.688
local terms energy: -359.858054
where:
bonds (distance) C4'-P energy: -92.684
bonds (distance) P-C4' energy: -97.282
flat angles C4'-P-C4' energy: -78.647
flat angles P-C4'-P energy: -59.999
tors. eta vs tors. theta energy: -31.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -454.050956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.050956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.050956 (E_RNA)
where:
Base-Base interactions energy: -192.643
where: short stacking energy: -168.012
Base-Backbone interact. energy: 1.017
local terms energy: -262.424336
where:
bonds (distance) C4'-P energy: -71.558
bonds (distance) P-C4' energy: -84.771
flat angles C4'-P-C4' energy: -65.266
flat angles P-C4'-P energy: -37.513
tors. eta vs tors. theta energy: -3.317
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: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -417.759380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.759380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.759380 (E_RNA)
where:
Base-Base interactions energy: -135.010
where: short stacking energy: -131.997
Base-Backbone interact. energy: -0.985
local terms energy: -281.764652
where:
bonds (distance) C4'-P energy: -68.566
bonds (distance) P-C4' energy: -83.604
flat angles C4'-P-C4' energy: -63.216
flat angles P-C4'-P energy: -54.680
tors. eta vs tors. theta energy: -11.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -386.304692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.304692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.304692 (E_RNA)
where:
Base-Base interactions energy: -137.667
where: short stacking energy: -127.642
Base-Backbone interact. energy: 2.789
local terms energy: -251.426807
where:
bonds (distance) C4'-P energy: -58.973
bonds (distance) P-C4' energy: -75.975
flat angles C4'-P-C4' energy: -56.006
flat angles P-C4'-P energy: -52.458
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: 10, replica: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -344.566552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.566552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.566552 (E_RNA)
where:
Base-Base interactions energy: -114.167
where: short stacking energy: -108.808
Base-Backbone interact. energy: 1.799
local terms energy: -232.198893
where:
bonds (distance) C4'-P energy: -61.417
bonds (distance) P-C4' energy: -77.149
flat angles C4'-P-C4' energy: -72.023
flat angles P-C4'-P energy: -31.430
tors. eta vs tors. theta energy: 9.821
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: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1197.092937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.092937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.092937 (E_RNA)
where:
Base-Base interactions energy: -709.899
where: short stacking energy: -414.347
Base-Backbone interact. energy: -0.295
local terms energy: -486.899453
where:
bonds (distance) C4'-P energy: -95.438
bonds (distance) P-C4' energy: -94.662
flat angles C4'-P-C4' energy: -101.816
flat angles P-C4'-P energy: -66.675
tors. eta vs tors. theta energy: -128.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1109.214702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.214702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.214702 (E_RNA)
where:
Base-Base interactions energy: -654.552
where: short stacking energy: -377.123
Base-Backbone interact. energy: -1.802
local terms energy: -452.860565
where:
bonds (distance) C4'-P energy: -83.794
bonds (distance) P-C4' energy: -91.649
flat angles C4'-P-C4' energy: -97.965
flat angles P-C4'-P energy: -69.085
tors. eta vs tors. theta energy: -110.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -999.178482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.178482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.178482 (E_RNA)
where:
Base-Base interactions energy: -585.224
where: short stacking energy: -321.499
Base-Backbone interact. energy: -1.686
local terms energy: -412.267907
where:
bonds (distance) C4'-P energy: -94.959
bonds (distance) P-C4' energy: -93.823
flat angles C4'-P-C4' energy: -87.654
flat angles P-C4'-P energy: -51.617
tors. eta vs tors. theta energy: -84.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -849.679016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.679016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.679016 (E_RNA)
where:
Base-Base interactions energy: -448.469
where: short stacking energy: -292.801
Base-Backbone interact. energy: 0.128
local terms energy: -401.338277
where:
bonds (distance) C4'-P energy: -88.974
bonds (distance) P-C4' energy: -90.854
flat angles C4'-P-C4' energy: -90.803
flat angles P-C4'-P energy: -54.885
tors. eta vs tors. theta energy: -75.823
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: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -677.710303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.710303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.710303 (E_RNA)
where:
Base-Base interactions energy: -327.899
where: short stacking energy: -224.386
Base-Backbone interact. energy: -0.530
local terms energy: -349.281265
where:
bonds (distance) C4'-P energy: -82.364
bonds (distance) P-C4' energy: -89.218
flat angles C4'-P-C4' energy: -87.656
flat angles P-C4'-P energy: -47.147
tors. eta vs tors. theta energy: -42.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -549.759946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.759946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.759946 (E_RNA)
where:
Base-Base interactions energy: -245.894
where: short stacking energy: -178.891
Base-Backbone interact. energy: 2.489
local terms energy: -306.355740
where:
bonds (distance) C4'-P energy: -79.714
bonds (distance) P-C4' energy: -85.396
flat angles C4'-P-C4' energy: -74.785
flat angles P-C4'-P energy: -46.990
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: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -444.158875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.158875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.158875 (E_RNA)
where:
Base-Base interactions energy: -149.601
where: short stacking energy: -144.012
Base-Backbone interact. energy: 1.043
local terms energy: -295.600489
where:
bonds (distance) C4'-P energy: -86.226
bonds (distance) P-C4' energy: -84.564
flat angles C4'-P-C4' energy: -74.360
flat angles P-C4'-P energy: -35.198
tors. eta vs tors. theta energy: -15.251
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: 8, replica: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -400.440033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.440033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.440033 (E_RNA)
where:
Base-Base interactions energy: -158.063
where: short stacking energy: -123.673
Base-Backbone interact. energy: -2.356
local terms energy: -240.020969
where:
bonds (distance) C4'-P energy: -71.864
bonds (distance) P-C4' energy: -81.115
flat angles C4'-P-C4' energy: -67.394
flat angles P-C4'-P energy: -31.294
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: 9, replica: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -388.631378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.631378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.631378 (E_RNA)
where:
Base-Base interactions energy: -135.448
where: short stacking energy: -121.818
Base-Backbone interact. energy: -1.075
local terms energy: -252.108202
where:
bonds (distance) C4'-P energy: -77.668
bonds (distance) P-C4' energy: -80.571
flat angles C4'-P-C4' energy: -73.752
flat angles P-C4'-P energy: -36.365
tors. eta vs tors. theta energy: 16.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -366.320926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.320926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.320926 (E_RNA)
where:
Base-Base interactions energy: -121.014
where: short stacking energy: -101.424
Base-Backbone interact. energy: 3.643
local terms energy: -248.949819
where:
bonds (distance) C4'-P energy: -80.873
bonds (distance) P-C4' energy: -73.466
flat angles C4'-P-C4' energy: -54.904
flat angles P-C4'-P energy: -51.100
tors. eta vs tors. theta energy: 11.394
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: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1208.590879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.590879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.590879 (E_RNA)
where:
Base-Base interactions energy: -729.620
where: short stacking energy: -420.019
Base-Backbone interact. energy: 0.718
local terms energy: -479.689208
where:
bonds (distance) C4'-P energy: -96.701
bonds (distance) P-C4' energy: -97.459
flat angles C4'-P-C4' energy: -97.835
flat angles P-C4'-P energy: -58.796
tors. eta vs tors. theta energy: -128.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1123.182334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.182334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.182334 (E_RNA)
where:
Base-Base interactions energy: -659.923
where: short stacking energy: -391.389
Base-Backbone interact. energy: -0.282
local terms energy: -462.977017
where:
bonds (distance) C4'-P energy: -79.160
bonds (distance) P-C4' energy: -98.449
flat angles C4'-P-C4' energy: -100.815
flat angles P-C4'-P energy: -72.090
tors. eta vs tors. theta energy: -112.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -959.136130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.136130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.136130 (E_RNA)
where:
Base-Base interactions energy: -552.289
where: short stacking energy: -314.178
Base-Backbone interact. energy: -1.895
local terms energy: -404.952387
where:
bonds (distance) C4'-P energy: -85.198
bonds (distance) P-C4' energy: -92.538
flat angles C4'-P-C4' energy: -97.480
flat angles P-C4'-P energy: -43.552
tors. eta vs tors. theta energy: -86.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -812.842866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.842866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.842866 (E_RNA)
where:
Base-Base interactions energy: -423.208
where: short stacking energy: -281.734
Base-Backbone interact. energy: 3.499
local terms energy: -393.134548
where:
bonds (distance) C4'-P energy: -93.366
bonds (distance) P-C4' energy: -85.666
flat angles C4'-P-C4' energy: -90.443
flat angles P-C4'-P energy: -57.768
tors. eta vs tors. theta energy: -65.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -677.377594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.377594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.377594 (E_RNA)
where:
Base-Base interactions energy: -324.318
where: short stacking energy: -209.815
Base-Backbone interact. energy: -1.017
local terms energy: -352.042989
where:
bonds (distance) C4'-P energy: -81.859
bonds (distance) P-C4' energy: -97.275
flat angles C4'-P-C4' energy: -82.119
flat angles P-C4'-P energy: -56.030
tors. eta vs tors. theta energy: -34.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -549.976776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.976776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.976776 (E_RNA)
where:
Base-Base interactions energy: -244.346
where: short stacking energy: -172.483
Base-Backbone interact. energy: 0.885
local terms energy: -306.516175
where:
bonds (distance) C4'-P energy: -86.400
bonds (distance) P-C4' energy: -82.632
flat angles C4'-P-C4' energy: -67.276
flat angles P-C4'-P energy: -54.946
tors. eta vs tors. theta energy: -15.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -461.095761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.095761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.095761 (E_RNA)
where:
Base-Base interactions energy: -152.696
where: short stacking energy: -147.816
Base-Backbone interact. energy: -0.807
local terms energy: -307.593120
where:
bonds (distance) C4'-P energy: -74.468
bonds (distance) P-C4' energy: -97.101
flat angles C4'-P-C4' energy: -83.136
flat angles P-C4'-P energy: -43.358
tors. eta vs tors. theta energy: -9.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -436.445803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.445803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.445803 (E_RNA)
where:
Base-Base interactions energy: -155.283
where: short stacking energy: -146.717
Base-Backbone interact. energy: 2.215
local terms energy: -283.378507
where:
bonds (distance) C4'-P energy: -77.245
bonds (distance) P-C4' energy: -70.464
flat angles C4'-P-C4' energy: -66.430
flat angles P-C4'-P energy: -51.882
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -362.867697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.867697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.867697 (E_RNA)
where:
Base-Base interactions energy: -117.228
where: short stacking energy: -105.650
Base-Backbone interact. energy: 0.023
local terms energy: -245.662755
where:
bonds (distance) C4'-P energy: -75.726
bonds (distance) P-C4' energy: -80.329
flat angles C4'-P-C4' energy: -66.369
flat angles P-C4'-P energy: -34.637
tors. eta vs tors. theta energy: 11.398
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: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -382.974340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.974340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.974340 (E_RNA)
where:
Base-Base interactions energy: -123.438
where: short stacking energy: -107.544
Base-Backbone interact. energy: -2.942
local terms energy: -256.594059
where:
bonds (distance) C4'-P energy: -78.701
bonds (distance) P-C4' energy: -78.242
flat angles C4'-P-C4' energy: -69.666
flat angles P-C4'-P energy: -39.718
tors. eta vs tors. theta energy: 9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1207.088043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.088043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.088043 (E_RNA)
where:
Base-Base interactions energy: -735.859
where: short stacking energy: -425.278
Base-Backbone interact. energy: -0.261
local terms energy: -470.968062
where:
bonds (distance) C4'-P energy: -76.748
bonds (distance) P-C4' energy: -96.700
flat angles C4'-P-C4' energy: -106.158
flat angles P-C4'-P energy: -70.844
tors. eta vs tors. theta energy: -120.518
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: 2, replica: 2
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1090.290876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.290876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.290876 (E_RNA)
where:
Base-Base interactions energy: -624.345
where: short stacking energy: -370.207
Base-Backbone interact. energy: -1.421
local terms energy: -464.524399
where:
bonds (distance) C4'-P energy: -92.689
bonds (distance) P-C4' energy: -88.289
flat angles C4'-P-C4' energy: -103.865
flat angles P-C4'-P energy: -68.674
tors. eta vs tors. theta energy: -111.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -946.216749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.216749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.216749 (E_RNA)
where:
Base-Base interactions energy: -546.975
where: short stacking energy: -309.627
Base-Backbone interact. energy: -1.008
local terms energy: -398.233602
where:
bonds (distance) C4'-P energy: -85.735
bonds (distance) P-C4' energy: -85.704
flat angles C4'-P-C4' energy: -92.890
flat angles P-C4'-P energy: -56.148
tors. eta vs tors. theta energy: -77.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -787.286000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.286000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.286000 (E_RNA)
where:
Base-Base interactions energy: -419.684
where: short stacking energy: -263.411
Base-Backbone interact. energy: 0.379
local terms energy: -367.981091
where:
bonds (distance) C4'-P energy: -76.879
bonds (distance) P-C4' energy: -86.432
flat angles C4'-P-C4' energy: -82.845
flat angles P-C4'-P energy: -58.063
tors. eta vs tors. theta energy: -63.762
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: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -693.204962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.204962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.204962 (E_RNA)
where:
Base-Base interactions energy: -344.944
where: short stacking energy: -217.067
Base-Backbone interact. energy: -0.998
local terms energy: -347.263539
where:
bonds (distance) C4'-P energy: -70.557
bonds (distance) P-C4' energy: -88.560
flat angles C4'-P-C4' energy: -81.079
flat angles P-C4'-P energy: -64.156
tors. eta vs tors. theta energy: -42.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -568.351477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.351477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.351477 (E_RNA)
where:
Base-Base interactions energy: -262.817
where: short stacking energy: -213.746
Base-Backbone interact. energy: 1.875
local terms energy: -307.409443
where:
bonds (distance) C4'-P energy: -66.632
bonds (distance) P-C4' energy: -82.129
flat angles C4'-P-C4' energy: -80.123
flat angles P-C4'-P energy: -40.900
tors. eta vs tors. theta energy: -37.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -462.174173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.174173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.174173 (E_RNA)
where:
Base-Base interactions energy: -186.885
where: short stacking energy: -171.930
Base-Backbone interact. energy: 0.160
local terms energy: -275.449715
where:
bonds (distance) C4'-P energy: -67.699
bonds (distance) P-C4' energy: -79.476
flat angles C4'-P-C4' energy: -67.615
flat angles P-C4'-P energy: -48.600
tors. eta vs tors. theta energy: -12.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -435.258207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.258207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.258207 (E_RNA)
where:
Base-Base interactions energy: -140.841
where: short stacking energy: -136.165
Base-Backbone interact. energy: -1.341
local terms energy: -293.075777
where:
bonds (distance) C4'-P energy: -76.596
bonds (distance) P-C4' energy: -88.952
flat angles C4'-P-C4' energy: -75.852
flat angles P-C4'-P energy: -43.458
tors. eta vs tors. theta energy: -8.218
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: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -376.467262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.467262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.467262 (E_RNA)
where:
Base-Base interactions energy: -129.957
where: short stacking energy: -115.993
Base-Backbone interact. energy: 7.734
local terms energy: -254.244069
where:
bonds (distance) C4'-P energy: -75.335
bonds (distance) P-C4' energy: -75.664
flat angles C4'-P-C4' energy: -70.339
flat angles P-C4'-P energy: -37.184
tors. eta vs tors. theta energy: 4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -337.347402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.347402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.347402 (E_RNA)
where:
Base-Base interactions energy: -114.541
where: short stacking energy: -103.874
Base-Backbone interact. energy: -1.644
local terms energy: -221.162729
where:
bonds (distance) C4'-P energy: -67.590
bonds (distance) P-C4' energy: -69.521
flat angles C4'-P-C4' energy: -63.161
flat angles P-C4'-P energy: -32.705
tors. eta vs tors. theta energy: 11.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1243.460091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.460091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.460091 (E_RNA)
where:
Base-Base interactions energy: -744.392
where: short stacking energy: -447.861
Base-Backbone interact. energy: -1.694
local terms energy: -497.374108
where:
bonds (distance) C4'-P energy: -93.715
bonds (distance) P-C4' energy: -99.825
flat angles C4'-P-C4' energy: -98.559
flat angles P-C4'-P energy: -75.385
tors. eta vs tors. theta energy: -129.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1153.393788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.393788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.393788 (E_RNA)
where:
Base-Base interactions energy: -677.410
where: short stacking energy: -408.138
Base-Backbone interact. energy: -0.091
local terms energy: -475.892644
where:
bonds (distance) C4'-P energy: -96.127
bonds (distance) P-C4' energy: -96.223
flat angles C4'-P-C4' energy: -111.061
flat angles P-C4'-P energy: -52.577
tors. eta vs tors. theta energy: -119.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -934.894201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.894201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.894201 (E_RNA)
where:
Base-Base interactions energy: -538.230
where: short stacking energy: -333.430
Base-Backbone interact. energy: 3.836
local terms energy: -400.500463
where:
bonds (distance) C4'-P energy: -85.785
bonds (distance) P-C4' energy: -90.485
flat angles C4'-P-C4' energy: -91.431
flat angles P-C4'-P energy: -56.993
tors. eta vs tors. theta energy: -75.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -798.601264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.601264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.601264 (E_RNA)
where:
Base-Base interactions energy: -432.848
where: short stacking energy: -278.090
Base-Backbone interact. energy: -0.647
local terms energy: -365.106056
where:
bonds (distance) C4'-P energy: -82.093
bonds (distance) P-C4' energy: -71.703
flat angles C4'-P-C4' energy: -88.597
flat angles P-C4'-P energy: -62.609
tors. eta vs tors. theta energy: -60.103
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: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -678.673678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.673678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.673678 (E_RNA)
where:
Base-Base interactions energy: -358.661
where: short stacking energy: -233.392
Base-Backbone interact. energy: -0.035
local terms energy: -319.977917
where:
bonds (distance) C4'-P energy: -85.891
bonds (distance) P-C4' energy: -79.306
flat angles C4'-P-C4' energy: -73.275
flat angles P-C4'-P energy: -43.506
tors. eta vs tors. theta energy: -38.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -605.905290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.905290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.905290 (E_RNA)
where:
Base-Base interactions energy: -265.498
where: short stacking energy: -202.531
Base-Backbone interact. energy: 0.663
local terms energy: -341.070386
where:
bonds (distance) C4'-P energy: -77.472
bonds (distance) P-C4' energy: -94.178
flat angles C4'-P-C4' energy: -84.348
flat angles P-C4'-P energy: -54.118
tors. eta vs tors. theta energy: -30.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -474.370607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.370607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.370607 (E_RNA)
where:
Base-Base interactions energy: -173.055
where: short stacking energy: -152.232
Base-Backbone interact. energy: -0.097
local terms energy: -301.218043
where:
bonds (distance) C4'-P energy: -75.809
bonds (distance) P-C4' energy: -89.414
flat angles C4'-P-C4' energy: -75.802
flat angles P-C4'-P energy: -53.289
tors. eta vs tors. theta energy: -6.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -397.078027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.078027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.078027 (E_RNA)
where:
Base-Base interactions energy: -136.172
where: short stacking energy: -123.210
Base-Backbone interact. energy: -2.418
local terms energy: -258.487454
where:
bonds (distance) C4'-P energy: -80.127
bonds (distance) P-C4' energy: -81.541
flat angles C4'-P-C4' energy: -67.191
flat angles P-C4'-P energy: -41.959
tors. eta vs tors. theta energy: 12.330
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: 5
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -399.554449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.554449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.554449 (E_RNA)
where:
Base-Base interactions energy: -120.859
where: short stacking energy: -116.093
Base-Backbone interact. energy: -1.664
local terms energy: -277.030907
where:
bonds (distance) C4'-P energy: -83.765
bonds (distance) P-C4' energy: -84.408
flat angles C4'-P-C4' energy: -60.295
flat angles P-C4'-P energy: -51.900
tors. eta vs tors. theta energy: 3.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -365.830962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.830962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.830962 (E_RNA)
where:
Base-Base interactions energy: -99.240
where: short stacking energy: -95.126
Base-Backbone interact. energy: 3.406
local terms energy: -269.997049
where:
bonds (distance) C4'-P energy: -74.027
bonds (distance) P-C4' energy: -87.029
flat angles C4'-P-C4' energy: -63.696
flat angles P-C4'-P energy: -46.928
tors. eta vs tors. theta energy: 1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1193.757022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.757022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.757022 (E_RNA)
where:
Base-Base interactions energy: -715.465
where: short stacking energy: -443.003
Base-Backbone interact. energy: 0.352
local terms energy: -478.644345
where:
bonds (distance) C4'-P energy: -90.320
bonds (distance) P-C4' energy: -87.485
flat angles C4'-P-C4' energy: -99.050
flat angles P-C4'-P energy: -74.089
tors. eta vs tors. theta energy: -127.701
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: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1162.494339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.494339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.494339 (E_RNA)
where:
Base-Base interactions energy: -681.554
where: short stacking energy: -405.566
Base-Backbone interact. energy: 0.117
local terms energy: -481.057409
where:
bonds (distance) C4'-P energy: -97.928
bonds (distance) P-C4' energy: -85.071
flat angles C4'-P-C4' energy: -100.446
flat angles P-C4'-P energy: -68.501
tors. eta vs tors. theta energy: -129.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -938.578202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.578202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.578202 (E_RNA)
where:
Base-Base interactions energy: -526.434
where: short stacking energy: -314.058
Base-Backbone interact. energy: 0.031
local terms energy: -412.174878
where:
bonds (distance) C4'-P energy: -83.196
bonds (distance) P-C4' energy: -92.012
flat angles C4'-P-C4' energy: -88.781
flat angles P-C4'-P energy: -61.873
tors. eta vs tors. theta energy: -86.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -822.762026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.762026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.762026 (E_RNA)
where:
Base-Base interactions energy: -433.218
where: short stacking energy: -291.398
Base-Backbone interact. energy: 1.118
local terms energy: -390.662313
where:
bonds (distance) C4'-P energy: -84.799
bonds (distance) P-C4' energy: -91.653
flat angles C4'-P-C4' energy: -82.195
flat angles P-C4'-P energy: -61.545
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: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -616.182157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.182157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.182157 (E_RNA)
where:
Base-Base interactions energy: -282.132
where: short stacking energy: -212.021
Base-Backbone interact. energy: -0.633
local terms energy: -333.416801
where:
bonds (distance) C4'-P energy: -89.240
bonds (distance) P-C4' energy: -92.804
flat angles C4'-P-C4' energy: -71.253
flat angles P-C4'-P energy: -49.795
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: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -629.509352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.509352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.509352 (E_RNA)
where:
Base-Base interactions energy: -316.695
where: short stacking energy: -211.493
Base-Backbone interact. energy: 1.823
local terms energy: -314.637887
where:
bonds (distance) C4'-P energy: -68.466
bonds (distance) P-C4' energy: -87.061
flat angles C4'-P-C4' energy: -78.069
flat angles P-C4'-P energy: -49.726
tors. eta vs tors. theta energy: -31.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -462.479644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.479644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.479644 (E_RNA)
where:
Base-Base interactions energy: -166.968
where: short stacking energy: -142.615
Base-Backbone interact. energy: -2.973
local terms energy: -292.538703
where:
bonds (distance) C4'-P energy: -76.326
bonds (distance) P-C4' energy: -84.344
flat angles C4'-P-C4' energy: -77.129
flat angles P-C4'-P energy: -44.115
tors. eta vs tors. theta energy: -10.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -429.028011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.028011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.028011 (E_RNA)
where:
Base-Base interactions energy: -156.912
where: short stacking energy: -136.909
Base-Backbone interact. energy: 3.877
local terms energy: -275.992747
where:
bonds (distance) C4'-P energy: -73.017
bonds (distance) P-C4' energy: -80.270
flat angles C4'-P-C4' energy: -71.089
flat angles P-C4'-P energy: -50.624
tors. eta vs tors. theta energy: -0.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -411.467146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.467146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.467146 (E_RNA)
where:
Base-Base interactions energy: -127.949
where: short stacking energy: -125.553
Base-Backbone interact. energy: 0.424
local terms energy: -283.941577
where:
bonds (distance) C4'-P energy: -79.385
bonds (distance) P-C4' energy: -70.814
flat angles C4'-P-C4' energy: -85.336
flat angles P-C4'-P energy: -50.898
tors. eta vs tors. theta energy: 2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -351.333541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.333541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.333541 (E_RNA)
where:
Base-Base interactions energy: -127.568
where: short stacking energy: -106.277
Base-Backbone interact. energy: 2.526
local terms energy: -226.291312
where:
bonds (distance) C4'-P energy: -68.929
bonds (distance) P-C4' energy: -81.500
flat angles C4'-P-C4' energy: -81.100
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: 21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1200.818482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.818482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.818482 (E_RNA)
where:
Base-Base interactions energy: -722.373
where: short stacking energy: -450.893
Base-Backbone interact. energy: -0.325
local terms energy: -478.120514
where:
bonds (distance) C4'-P energy: -76.187
bonds (distance) P-C4' energy: -91.104
flat angles C4'-P-C4' energy: -101.354
flat angles P-C4'-P energy: -77.188
tors. eta vs tors. theta energy: -132.288
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: 2, replica: 6
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1136.740598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.740598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.740598 (E_RNA)
where:
Base-Base interactions energy: -695.464
where: short stacking energy: -413.470
Base-Backbone interact. energy: 0.864
local terms energy: -442.140267
where:
bonds (distance) C4'-P energy: -84.000
bonds (distance) P-C4' energy: -89.588
flat angles C4'-P-C4' energy: -99.775
flat angles P-C4'-P energy: -63.854
tors. eta vs tors. theta energy: -104.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -921.802859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.802859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.802859 (E_RNA)
where:
Base-Base interactions energy: -516.096
where: short stacking energy: -290.111
Base-Backbone interact. energy: -0.879
local terms energy: -404.828854
where:
bonds (distance) C4'-P energy: -86.051
bonds (distance) P-C4' energy: -91.231
flat angles C4'-P-C4' energy: -95.016
flat angles P-C4'-P energy: -61.298
tors. eta vs tors. theta energy: -71.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -779.042419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.042419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.042419 (E_RNA)
where:
Base-Base interactions energy: -393.460
where: short stacking energy: -251.694
Base-Backbone interact. energy: 0.335
local terms energy: -385.917981
where:
bonds (distance) C4'-P energy: -93.305
bonds (distance) P-C4' energy: -90.451
flat angles C4'-P-C4' energy: -91.105
flat angles P-C4'-P energy: -54.869
tors. eta vs tors. theta energy: -56.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -638.141805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.141805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.141805 (E_RNA)
where:
Base-Base interactions energy: -290.713
where: short stacking energy: -211.825
Base-Backbone interact. energy: 0.241
local terms energy: -347.670483
where:
bonds (distance) C4'-P energy: -81.407
bonds (distance) P-C4' energy: -95.223
flat angles C4'-P-C4' energy: -78.916
flat angles P-C4'-P energy: -48.261
tors. eta vs tors. theta energy: -43.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -624.372181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.372181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.372181 (E_RNA)
where:
Base-Base interactions energy: -289.089
where: short stacking energy: -193.192
Base-Backbone interact. energy: 2.252
local terms energy: -337.534998
where:
bonds (distance) C4'-P energy: -89.726
bonds (distance) P-C4' energy: -93.080
flat angles C4'-P-C4' energy: -73.038
flat angles P-C4'-P energy: -45.093
tors. eta vs tors. theta energy: -36.598
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: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -469.728594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.728594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.728594 (E_RNA)
where:
Base-Base interactions energy: -197.833
where: short stacking energy: -168.252
Base-Backbone interact. energy: -1.703
local terms energy: -270.192415
where:
bonds (distance) C4'-P energy: -64.030
bonds (distance) P-C4' energy: -84.216
flat angles C4'-P-C4' energy: -70.911
flat angles P-C4'-P energy: -34.050
tors. eta vs tors. theta energy: -16.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -431.972898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.972898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.972898 (E_RNA)
where:
Base-Base interactions energy: -160.402
where: short stacking energy: -125.728
Base-Backbone interact. energy: 2.569
local terms energy: -274.140440
where:
bonds (distance) C4'-P energy: -81.426
bonds (distance) P-C4' energy: -98.731
flat angles C4'-P-C4' energy: -55.636
flat angles P-C4'-P energy: -51.626
tors. eta vs tors. theta energy: 13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -393.534265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.534265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.534265 (E_RNA)
where:
Base-Base interactions energy: -131.423
where: short stacking energy: -126.815
Base-Backbone interact. energy: -1.953
local terms energy: -260.159119
where:
bonds (distance) C4'-P energy: -77.266
bonds (distance) P-C4' energy: -63.562
flat angles C4'-P-C4' energy: -75.657
flat angles P-C4'-P energy: -39.818
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -356.582622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.582622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.582622 (E_RNA)
where:
Base-Base interactions energy: -106.942
where: short stacking energy: -105.256
Base-Backbone interact. energy: -0.873
local terms energy: -248.767657
where:
bonds (distance) C4'-P energy: -80.698
bonds (distance) P-C4' energy: -92.347
flat angles C4'-P-C4' energy: -56.450
flat angles P-C4'-P energy: -34.740
tors. eta vs tors. theta energy: 15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1242.580170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.580170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.580170 (E_RNA)
where:
Base-Base interactions energy: -740.242
where: short stacking energy: -441.338
Base-Backbone interact. energy: -0.978
local terms energy: -501.360778
where:
bonds (distance) C4'-P energy: -89.079
bonds (distance) P-C4' energy: -96.644
flat angles C4'-P-C4' energy: -102.255
flat angles P-C4'-P energy: -81.495
tors. eta vs tors. theta energy: -131.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1169.498816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.498816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.498816 (E_RNA)
where:
Base-Base interactions energy: -678.717
where: short stacking energy: -398.534
Base-Backbone interact. energy: -1.841
local terms energy: -488.940677
where:
bonds (distance) C4'-P energy: -88.215
bonds (distance) P-C4' energy: -103.966
flat angles C4'-P-C4' energy: -98.172
flat angles P-C4'-P energy: -68.260
tors. eta vs tors. theta energy: -130.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -964.530722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.530722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.530722 (E_RNA)
where:
Base-Base interactions energy: -552.008
where: short stacking energy: -316.319
Base-Backbone interact. energy: -0.758
local terms energy: -411.763895
where:
bonds (distance) C4'-P energy: -96.071
bonds (distance) P-C4' energy: -87.745
flat angles C4'-P-C4' energy: -92.466
flat angles P-C4'-P energy: -48.874
tors. eta vs tors. theta energy: -86.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -789.941753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.941753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.941753 (E_RNA)
where:
Base-Base interactions energy: -393.940
where: short stacking energy: -245.728
Base-Backbone interact. energy: -0.261
local terms energy: -395.741705
where:
bonds (distance) C4'-P energy: -92.520
bonds (distance) P-C4' energy: -91.981
flat angles C4'-P-C4' energy: -91.219
flat angles P-C4'-P energy: -52.060
tors. eta vs tors. theta energy: -67.961
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: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -680.667065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.667065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.667065 (E_RNA)
where:
Base-Base interactions energy: -359.320
where: short stacking energy: -249.567
Base-Backbone interact. energy: 0.142
local terms energy: -321.488572
where:
bonds (distance) C4'-P energy: -80.260
bonds (distance) P-C4' energy: -74.093
flat angles C4'-P-C4' energy: -84.911
flat angles P-C4'-P energy: -48.066
tors. eta vs tors. theta energy: -34.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -541.650935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.650935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.650935 (E_RNA)
where:
Base-Base interactions energy: -204.219
where: short stacking energy: -148.141
Base-Backbone interact. energy: -2.834
local terms energy: -334.597308
where:
bonds (distance) C4'-P energy: -87.284
bonds (distance) P-C4' energy: -101.570
flat angles C4'-P-C4' energy: -76.696
flat angles P-C4'-P energy: -61.970
tors. eta vs tors. theta energy: -7.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -434.520339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.520339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.520339 (E_RNA)
where:
Base-Base interactions energy: -148.991
where: short stacking energy: -145.226
Base-Backbone interact. energy: -0.074
local terms energy: -285.455661
where:
bonds (distance) C4'-P energy: -72.215
bonds (distance) P-C4' energy: -85.636
flat angles C4'-P-C4' energy: -68.854
flat angles P-C4'-P energy: -48.587
tors. eta vs tors. theta energy: -10.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -405.189974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.189974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.189974 (E_RNA)
where:
Base-Base interactions energy: -134.236
where: short stacking energy: -131.298
Base-Backbone interact. energy: 1.274
local terms energy: -272.227895
where:
bonds (distance) C4'-P energy: -77.535
bonds (distance) P-C4' energy: -87.880
flat angles C4'-P-C4' energy: -61.042
flat angles P-C4'-P energy: -41.658
tors. eta vs tors. theta energy: -4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -381.217451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.217451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.217451 (E_RNA)
where:
Base-Base interactions energy: -127.612
where: short stacking energy: -112.673
Base-Backbone interact. energy: -0.504
local terms energy: -253.101920
where:
bonds (distance) C4'-P energy: -73.069
bonds (distance) P-C4' energy: -71.019
flat angles C4'-P-C4' energy: -82.668
flat angles P-C4'-P energy: -38.987
tors. eta vs tors. theta energy: 12.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -357.469379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.469379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.469379 (E_RNA)
where:
Base-Base interactions energy: -105.814
where: short stacking energy: -98.025
Base-Backbone interact. energy: 1.438
local terms energy: -253.092829
where:
bonds (distance) C4'-P energy: -80.375
bonds (distance) P-C4' energy: -77.965
flat angles C4'-P-C4' energy: -54.765
flat angles P-C4'-P energy: -49.396
tors. eta vs tors. theta energy: 9.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1223.852805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.852805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.852805 (E_RNA)
where:
Base-Base interactions energy: -729.734
where: short stacking energy: -440.583
Base-Backbone interact. energy: -0.204
local terms energy: -493.915108
where:
bonds (distance) C4'-P energy: -88.580
bonds (distance) P-C4' energy: -99.189
flat angles C4'-P-C4' energy: -104.147
flat angles P-C4'-P energy: -73.139
tors. eta vs tors. theta energy: -128.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1159.683866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.683866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.683866 (E_RNA)
where:
Base-Base interactions energy: -688.273
where: short stacking energy: -416.660
Base-Backbone interact. energy: -2.703
local terms energy: -468.707345
where:
bonds (distance) C4'-P energy: -88.191
bonds (distance) P-C4' energy: -100.594
flat angles C4'-P-C4' energy: -108.945
flat angles P-C4'-P energy: -52.198
tors. eta vs tors. theta energy: -118.780
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: 3, replica: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -958.663785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.663785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.663785 (E_RNA)
where:
Base-Base interactions energy: -543.689
where: short stacking energy: -325.368
Base-Backbone interact. energy: -1.520
local terms energy: -413.454450
where:
bonds (distance) C4'-P energy: -87.283
bonds (distance) P-C4' energy: -86.124
flat angles C4'-P-C4' energy: -87.005
flat angles P-C4'-P energy: -54.949
tors. eta vs tors. theta energy: -98.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -799.345242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.345242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.345242 (E_RNA)
where:
Base-Base interactions energy: -410.667
where: short stacking energy: -258.183
Base-Backbone interact. energy: -1.984
local terms energy: -386.693592
where:
bonds (distance) C4'-P energy: -95.506
bonds (distance) P-C4' energy: -80.872
flat angles C4'-P-C4' energy: -91.364
flat angles P-C4'-P energy: -61.091
tors. eta vs tors. theta energy: -57.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -723.993171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.993171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.993171 (E_RNA)
where:
Base-Base interactions energy: -357.225
where: short stacking energy: -250.777
Base-Backbone interact. energy: 0.190
local terms energy: -366.958083
where:
bonds (distance) C4'-P energy: -82.276
bonds (distance) P-C4' energy: -87.695
flat angles C4'-P-C4' energy: -86.351
flat angles P-C4'-P energy: -54.992
tors. eta vs tors. theta energy: -55.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -561.610395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.610395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.610395 (E_RNA)
where:
Base-Base interactions energy: -225.258
where: short stacking energy: -170.263
Base-Backbone interact. energy: -1.259
local terms energy: -335.092953
where:
bonds (distance) C4'-P energy: -90.930
bonds (distance) P-C4' energy: -67.857
flat angles C4'-P-C4' energy: -94.247
flat angles P-C4'-P energy: -41.863
tors. eta vs tors. theta energy: -40.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -438.344160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.344160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.344160 (E_RNA)
where:
Base-Base interactions energy: -164.830
where: short stacking energy: -134.858
Base-Backbone interact. energy: -0.977
local terms energy: -272.536710
where:
bonds (distance) C4'-P energy: -77.529
bonds (distance) P-C4' energy: -67.738
flat angles C4'-P-C4' energy: -83.451
flat angles P-C4'-P energy: -46.898
tors. eta vs tors. theta energy: 3.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -419.143517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.143517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.143517 (E_RNA)
where:
Base-Base interactions energy: -141.511
where: short stacking energy: -133.473
Base-Backbone interact. energy: -0.625
local terms energy: -277.007589
where:
bonds (distance) C4'-P energy: -90.809
bonds (distance) P-C4' energy: -88.752
flat angles C4'-P-C4' energy: -60.247
flat angles P-C4'-P energy: -38.785
tors. eta vs tors. theta energy: 1.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -376.702285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.702285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.702285 (E_RNA)
where:
Base-Base interactions energy: -130.760
where: short stacking energy: -124.928
Base-Backbone interact. energy: 6.695
local terms energy: -252.637273
where:
bonds (distance) C4'-P energy: -63.773
bonds (distance) P-C4' energy: -87.477
flat angles C4'-P-C4' energy: -66.898
flat angles P-C4'-P energy: -42.245
tors. eta vs tors. theta energy: 7.756
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: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -350.725137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.725137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.725137 (E_RNA)
where:
Base-Base interactions energy: -90.705
where: short stacking energy: -81.990
Base-Backbone interact. energy: 1.297
local terms energy: -261.317217
where:
bonds (distance) C4'-P energy: -70.566
bonds (distance) P-C4' energy: -89.490
flat angles C4'-P-C4' energy: -66.820
flat angles P-C4'-P energy: -44.196
tors. eta vs tors. theta energy: 9.754
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: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1169.965314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.965314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.965314 (E_RNA)
where:
Base-Base interactions energy: -684.387
where: short stacking energy: -396.841
Base-Backbone interact. energy: -1.297
local terms energy: -484.281245
where:
bonds (distance) C4'-P energy: -87.848
bonds (distance) P-C4' energy: -99.514
flat angles C4'-P-C4' energy: -102.584
flat angles P-C4'-P energy: -68.324
tors. eta vs tors. theta energy: -126.012
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: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1174.250339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.250339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.250339 (E_RNA)
where:
Base-Base interactions energy: -679.190
where: short stacking energy: -406.636
Base-Backbone interact. energy: -0.173
local terms energy: -494.887154
where:
bonds (distance) C4'-P energy: -94.432
bonds (distance) P-C4' energy: -88.702
flat angles C4'-P-C4' energy: -105.815
flat angles P-C4'-P energy: -81.062
tors. eta vs tors. theta energy: -124.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -941.983093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.983093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.983093 (E_RNA)
where:
Base-Base interactions energy: -520.080
where: short stacking energy: -299.988
Base-Backbone interact. energy: -0.075
local terms energy: -421.827826
where:
bonds (distance) C4'-P energy: -101.277
bonds (distance) P-C4' energy: -80.446
flat angles C4'-P-C4' energy: -101.680
flat angles P-C4'-P energy: -58.460
tors. eta vs tors. theta energy: -79.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -842.327903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.327903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.327903 (E_RNA)
where:
Base-Base interactions energy: -460.033
where: short stacking energy: -283.484
Base-Backbone interact. energy: -1.484
local terms energy: -380.811085
where:
bonds (distance) C4'-P energy: -81.327
bonds (distance) P-C4' energy: -84.722
flat angles C4'-P-C4' energy: -83.806
flat angles P-C4'-P energy: -58.066
tors. eta vs tors. theta energy: -72.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -684.526694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.526694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.526694 (E_RNA)
where:
Base-Base interactions energy: -334.224
where: short stacking energy: -228.855
Base-Backbone interact. energy: 1.869
local terms energy: -352.172145
where:
bonds (distance) C4'-P energy: -82.449
bonds (distance) P-C4' energy: -90.571
flat angles C4'-P-C4' energy: -83.971
flat angles P-C4'-P energy: -51.312
tors. eta vs tors. theta energy: -43.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -580.128857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.128857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.128857 (E_RNA)
where:
Base-Base interactions energy: -252.349
where: short stacking energy: -198.556
Base-Backbone interact. energy: 0.395
local terms energy: -328.175215
where:
bonds (distance) C4'-P energy: -79.460
bonds (distance) P-C4' energy: -74.995
flat angles C4'-P-C4' energy: -86.984
flat angles P-C4'-P energy: -54.140
tors. eta vs tors. theta energy: -32.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -443.781055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.781055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.781055 (E_RNA)
where:
Base-Base interactions energy: -163.604
where: short stacking energy: -149.963
Base-Backbone interact. energy: -1.506
local terms energy: -278.671856
where:
bonds (distance) C4'-P energy: -79.149
bonds (distance) P-C4' energy: -92.134
flat angles C4'-P-C4' energy: -60.855
flat angles P-C4'-P energy: -30.720
tors. eta vs tors. theta energy: -15.814
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: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -418.901104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.901104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.901104 (E_RNA)
where:
Base-Base interactions energy: -152.544
where: short stacking energy: -121.749
Base-Backbone interact. energy: 4.073
local terms energy: -270.430499
where:
bonds (distance) C4'-P energy: -81.797
bonds (distance) P-C4' energy: -81.706
flat angles C4'-P-C4' energy: -55.443
flat angles P-C4'-P energy: -46.936
tors. eta vs tors. theta energy: -4.549
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: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -380.555538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.555538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.555538 (E_RNA)
where:
Base-Base interactions energy: -146.820
where: short stacking energy: -128.085
Base-Backbone interact. energy: 0.238
local terms energy: -233.973400
where:
bonds (distance) C4'-P energy: -71.705
bonds (distance) P-C4' energy: -80.374
flat angles C4'-P-C4' energy: -66.455
flat angles P-C4'-P energy: -36.396
tors. eta vs tors. theta energy: 20.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -369.378751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.378751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.378751 (E_RNA)
where:
Base-Base interactions energy: -115.180
where: short stacking energy: -87.696
Base-Backbone interact. energy: -1.575
local terms energy: -252.624587
where:
bonds (distance) C4'-P energy: -72.422
bonds (distance) P-C4' energy: -76.482
flat angles C4'-P-C4' energy: -63.910
flat angles P-C4'-P energy: -56.849
tors. eta vs tors. theta energy: 17.038
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: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1165.471950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.471950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.471950 (E_RNA)
where:
Base-Base interactions energy: -692.078
where: short stacking energy: -402.311
Base-Backbone interact. energy: -1.141
local terms energy: -472.252513
where:
bonds (distance) C4'-P energy: -101.263
bonds (distance) P-C4' energy: -100.686
flat angles C4'-P-C4' energy: -91.767
flat angles P-C4'-P energy: -62.163
tors. eta vs tors. theta energy: -116.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1177.120997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.120997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.120997 (E_RNA)
where:
Base-Base interactions energy: -679.629
where: short stacking energy: -421.760
Base-Backbone interact. energy: -0.490
local terms energy: -497.001489
where:
bonds (distance) C4'-P energy: -92.734
bonds (distance) P-C4' energy: -99.492
flat angles C4'-P-C4' energy: -98.339
flat angles P-C4'-P energy: -78.018
tors. eta vs tors. theta energy: -128.419
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: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -925.487545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.487545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.487545 (E_RNA)
where:
Base-Base interactions energy: -510.344
where: short stacking energy: -306.812
Base-Backbone interact. energy: -0.624
local terms energy: -414.519525
where:
bonds (distance) C4'-P energy: -83.976
bonds (distance) P-C4' energy: -90.088
flat angles C4'-P-C4' energy: -105.165
flat angles P-C4'-P energy: -56.779
tors. eta vs tors. theta energy: -78.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -749.576654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.576654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.576654 (E_RNA)
where:
Base-Base interactions energy: -371.348
where: short stacking energy: -231.348
Base-Backbone interact. energy: 2.076
local terms energy: -380.305028
where:
bonds (distance) C4'-P energy: -85.260
bonds (distance) P-C4' energy: -100.507
flat angles C4'-P-C4' energy: -86.501
flat angles P-C4'-P energy: -62.301
tors. eta vs tors. theta energy: -45.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -687.947433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.947433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.947433 (E_RNA)
where:
Base-Base interactions energy: -336.955
where: short stacking energy: -233.833
Base-Backbone interact. energy: -0.638
local terms energy: -350.354327
where:
bonds (distance) C4'-P energy: -92.406
bonds (distance) P-C4' energy: -81.824
flat angles C4'-P-C4' energy: -89.742
flat angles P-C4'-P energy: -49.544
tors. eta vs tors. theta energy: -36.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -534.443983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.443983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.443983 (E_RNA)
where:
Base-Base interactions energy: -220.860
where: short stacking energy: -163.512
Base-Backbone interact. energy: -2.313
local terms energy: -311.270549
where:
bonds (distance) C4'-P energy: -92.295
bonds (distance) P-C4' energy: -92.269
flat angles C4'-P-C4' energy: -66.986
flat angles P-C4'-P energy: -47.718
tors. eta vs tors. theta energy: -12.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -438.071336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.071336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.071336 (E_RNA)
where:
Base-Base interactions energy: -141.517
where: short stacking energy: -137.626
Base-Backbone interact. energy: -1.251
local terms energy: -295.303415
where:
bonds (distance) C4'-P energy: -91.763
bonds (distance) P-C4' energy: -76.800
flat angles C4'-P-C4' energy: -75.579
flat angles P-C4'-P energy: -48.009
tors. eta vs tors. theta energy: -3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -414.316378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.316378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.316378 (E_RNA)
where:
Base-Base interactions energy: -144.203
where: short stacking energy: -130.237
Base-Backbone interact. energy: 2.589
local terms energy: -272.702345
where:
bonds (distance) C4'-P energy: -67.565
bonds (distance) P-C4' energy: -87.253
flat angles C4'-P-C4' energy: -72.096
flat angles P-C4'-P energy: -52.312
tors. eta vs tors. theta energy: 6.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -364.823346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.823346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.823346 (E_RNA)
where:
Base-Base interactions energy: -114.270
where: short stacking energy: -93.048
Base-Backbone interact. energy: 2.453
local terms energy: -253.005735
where:
bonds (distance) C4'-P energy: -84.470
bonds (distance) P-C4' energy: -81.325
flat angles C4'-P-C4' energy: -74.779
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: 3.925
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: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -345.276383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.276383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.276383 (E_RNA)
where:
Base-Base interactions energy: -112.294
where: short stacking energy: -100.788
Base-Backbone interact. energy: 2.644
local terms energy: -235.626116
where:
bonds (distance) C4'-P energy: -68.423
bonds (distance) P-C4' energy: -67.037
flat angles C4'-P-C4' energy: -65.887
flat angles P-C4'-P energy: -38.255
tors. eta vs tors. theta energy: 3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1177.460187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.460187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.460187 (E_RNA)
where:
Base-Base interactions energy: -691.641
where: short stacking energy: -422.331
Base-Backbone interact. energy: -0.535
local terms energy: -485.284519
where:
bonds (distance) C4'-P energy: -95.145
bonds (distance) P-C4' energy: -89.844
flat angles C4'-P-C4' energy: -101.019
flat angles P-C4'-P energy: -77.161
tors. eta vs tors. theta energy: -122.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1140.378662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.378662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.378662 (E_RNA)
where:
Base-Base interactions energy: -685.851
where: short stacking energy: -420.911
Base-Backbone interact. energy: 1.288
local terms energy: -455.815841
where:
bonds (distance) C4'-P energy: -86.330
bonds (distance) P-C4' energy: -99.725
flat angles C4'-P-C4' energy: -95.251
flat angles P-C4'-P energy: -57.206
tors. eta vs tors. theta energy: -117.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -969.069243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.069243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.069243 (E_RNA)
where:
Base-Base interactions energy: -549.081
where: short stacking energy: -327.617
Base-Backbone interact. energy: -1.616
local terms energy: -418.372882
where:
bonds (distance) C4'-P energy: -88.468
bonds (distance) P-C4' energy: -85.908
flat angles C4'-P-C4' energy: -93.898
flat angles P-C4'-P energy: -60.924
tors. eta vs tors. theta energy: -89.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -799.682769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.682769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.682769 (E_RNA)
where:
Base-Base interactions energy: -437.314
where: short stacking energy: -273.298
Base-Backbone interact. energy: 0.737
local terms energy: -363.105735
where:
bonds (distance) C4'-P energy: -74.310
bonds (distance) P-C4' energy: -86.146
flat angles C4'-P-C4' energy: -83.681
flat angles P-C4'-P energy: -62.653
tors. eta vs tors. theta energy: -56.315
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: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -683.395084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.395084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.395084 (E_RNA)
where:
Base-Base interactions energy: -318.184
where: short stacking energy: -213.437
Base-Backbone interact. energy: 0.159
local terms energy: -365.370519
where:
bonds (distance) C4'-P energy: -91.510
bonds (distance) P-C4' energy: -85.445
flat angles C4'-P-C4' energy: -96.367
flat angles P-C4'-P energy: -59.739
tors. eta vs tors. theta energy: -32.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -644.179711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.179711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.179711 (E_RNA)
where:
Base-Base interactions energy: -295.742
where: short stacking energy: -204.404
Base-Backbone interact. energy: -0.636
local terms energy: -347.801590
where:
bonds (distance) C4'-P energy: -86.233
bonds (distance) P-C4' energy: -86.268
flat angles C4'-P-C4' energy: -88.053
flat angles P-C4'-P energy: -47.755
tors. eta vs tors. theta energy: -39.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -478.582262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.582262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.582262 (E_RNA)
where:
Base-Base interactions energy: -184.031
where: short stacking energy: -148.356
Base-Backbone interact. energy: -0.914
local terms energy: -293.637493
where:
bonds (distance) C4'-P energy: -75.978
bonds (distance) P-C4' energy: -76.303
flat angles C4'-P-C4' energy: -71.746
flat angles P-C4'-P energy: -50.554
tors. eta vs tors. theta energy: -19.057
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: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -438.787717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.787717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.787717 (E_RNA)
where:
Base-Base interactions energy: -142.981
where: short stacking energy: -138.679
Base-Backbone interact. energy: 1.101
local terms energy: -296.906752
where:
bonds (distance) C4'-P energy: -88.318
bonds (distance) P-C4' energy: -82.435
flat angles C4'-P-C4' energy: -80.942
flat angles P-C4'-P energy: -41.793
tors. eta vs tors. theta energy: -3.418
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: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -375.600389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.600389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.600389 (E_RNA)
where:
Base-Base interactions energy: -155.728
where: short stacking energy: -127.240
Base-Backbone interact. energy: -0.557
local terms energy: -219.315609
where:
bonds (distance) C4'-P energy: -66.544
bonds (distance) P-C4' energy: -72.081
flat angles C4'-P-C4' energy: -58.984
flat angles P-C4'-P energy: -25.807
tors. eta vs tors. theta energy: 4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -348.659755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.659755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.659755 (E_RNA)
where:
Base-Base interactions energy: -116.756
where: short stacking energy: -109.563
Base-Backbone interact. energy: -1.225
local terms energy: -230.679329
where:
bonds (distance) C4'-P energy: -68.239
bonds (distance) P-C4' energy: -74.546
flat angles C4'-P-C4' energy: -51.747
flat angles P-C4'-P energy: -31.816
tors. eta vs tors. theta energy: -4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1173.463552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.463552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.463552 (E_RNA)
where:
Base-Base interactions energy: -688.112
where: short stacking energy: -401.610
Base-Backbone interact. energy: 0.075
local terms energy: -485.426024
where:
bonds (distance) C4'-P energy: -91.158
bonds (distance) P-C4' energy: -96.262
flat angles C4'-P-C4' energy: -105.415
flat angles P-C4'-P energy: -75.069
tors. eta vs tors. theta energy: -117.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1132.715112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.715112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.715112 (E_RNA)
where:
Base-Base interactions energy: -663.963
where: short stacking energy: -402.364
Base-Backbone interact. energy: -1.426
local terms energy: -467.326646
where:
bonds (distance) C4'-P energy: -89.425
bonds (distance) P-C4' energy: -93.780
flat angles C4'-P-C4' energy: -103.557
flat angles P-C4'-P energy: -62.605
tors. eta vs tors. theta energy: -117.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -984.067461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.067461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.067461 (E_RNA)
where:
Base-Base interactions energy: -559.665
where: short stacking energy: -326.519
Base-Backbone interact. energy: -0.617
local terms energy: -423.785961
where:
bonds (distance) C4'-P energy: -91.694
bonds (distance) P-C4' energy: -84.708
flat angles C4'-P-C4' energy: -97.147
flat angles P-C4'-P energy: -63.927
tors. eta vs tors. theta energy: -86.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -866.501826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.501826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.501826 (E_RNA)
where:
Base-Base interactions energy: -479.292
where: short stacking energy: -319.151
Base-Backbone interact. energy: 1.499
local terms energy: -388.709450
where:
bonds (distance) C4'-P energy: -71.307
bonds (distance) P-C4' energy: -92.447
flat angles C4'-P-C4' energy: -91.658
flat angles P-C4'-P energy: -56.064
tors. eta vs tors. theta energy: -77.234
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: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -693.722304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.722304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.722304 (E_RNA)
where:
Base-Base interactions energy: -338.785
where: short stacking energy: -220.122
Base-Backbone interact. energy: -3.058
local terms energy: -351.878892
where:
bonds (distance) C4'-P energy: -79.529
bonds (distance) P-C4' energy: -89.219
flat angles C4'-P-C4' energy: -90.920
flat angles P-C4'-P energy: -49.154
tors. eta vs tors. theta energy: -43.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -592.317319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.317319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.317319 (E_RNA)
where:
Base-Base interactions energy: -256.689
where: short stacking energy: -176.908
Base-Backbone interact. energy: -1.237
local terms energy: -334.390765
where:
bonds (distance) C4'-P energy: -93.729
bonds (distance) P-C4' energy: -79.257
flat angles C4'-P-C4' energy: -88.264
flat angles P-C4'-P energy: -45.204
tors. eta vs tors. theta energy: -27.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -460.771578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.771578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.771578 (E_RNA)
where:
Base-Base interactions energy: -171.323
where: short stacking energy: -136.526
Base-Backbone interact. energy: -0.268
local terms energy: -289.181003
where:
bonds (distance) C4'-P energy: -72.144
bonds (distance) P-C4' energy: -84.952
flat angles C4'-P-C4' energy: -78.363
flat angles P-C4'-P energy: -38.605
tors. eta vs tors. theta energy: -15.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -395.352390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.352390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.352390 (E_RNA)
where:
Base-Base interactions energy: -137.649
where: short stacking energy: -126.393
Base-Backbone interact. energy: -0.358
local terms energy: -257.344865
where:
bonds (distance) C4'-P energy: -79.037
bonds (distance) P-C4' energy: -74.767
flat angles C4'-P-C4' energy: -76.927
flat angles P-C4'-P energy: -35.168
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: 9, replica: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -388.642821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.642821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.642821 (E_RNA)
where:
Base-Base interactions energy: -116.647
where: short stacking energy: -112.077
Base-Backbone interact. energy: 3.122
local terms energy: -275.117279
where:
bonds (distance) C4'-P energy: -80.173
bonds (distance) P-C4' energy: -85.172
flat angles C4'-P-C4' energy: -74.415
flat angles P-C4'-P energy: -38.521
tors. eta vs tors. theta energy: 3.164
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: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -357.175137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.175137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.175137 (E_RNA)
where:
Base-Base interactions energy: -111.664
where: short stacking energy: -99.729
Base-Backbone interact. energy: 7.110
local terms energy: -252.621501
where:
bonds (distance) C4'-P energy: -71.625
bonds (distance) P-C4' energy: -72.250
flat angles C4'-P-C4' energy: -72.487
flat angles P-C4'-P energy: -50.731
tors. eta vs tors. theta energy: 14.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1195.628499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.628499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.628499 (E_RNA)
where:
Base-Base interactions energy: -699.051
where: short stacking energy: -428.101
Base-Backbone interact. energy: -0.637
local terms energy: -495.940828
where:
bonds (distance) C4'-P energy: -89.353
bonds (distance) P-C4' energy: -89.243
flat angles C4'-P-C4' energy: -111.998
flat angles P-C4'-P energy: -75.642
tors. eta vs tors. theta energy: -129.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1108.249129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.249129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.249129 (E_RNA)
where:
Base-Base interactions energy: -645.684
where: short stacking energy: -407.864
Base-Backbone interact. energy: -3.908
local terms energy: -458.656839
where:
bonds (distance) C4'-P energy: -81.153
bonds (distance) P-C4' energy: -96.352
flat angles C4'-P-C4' energy: -92.300
flat angles P-C4'-P energy: -71.728
tors. eta vs tors. theta energy: -117.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1011.487450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.487450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.487450 (E_RNA)
where:
Base-Base interactions energy: -596.358
where: short stacking energy: -346.579
Base-Backbone interact. energy: -1.719
local terms energy: -413.411004
where:
bonds (distance) C4'-P energy: -74.291
bonds (distance) P-C4' energy: -78.859
flat angles C4'-P-C4' energy: -94.227
flat angles P-C4'-P energy: -73.246
tors. eta vs tors. theta energy: -92.789
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: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -846.544117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.544117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.544117 (E_RNA)
where:
Base-Base interactions energy: -439.497
where: short stacking energy: -293.081
Base-Backbone interact. energy: -0.998
local terms energy: -406.049002
where:
bonds (distance) C4'-P energy: -91.269
bonds (distance) P-C4' energy: -95.054
flat angles C4'-P-C4' energy: -90.274
flat angles P-C4'-P energy: -56.438
tors. eta vs tors. theta energy: -73.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -702.002644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.002644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.002644 (E_RNA)
where:
Base-Base interactions energy: -334.993
where: short stacking energy: -210.924
Base-Backbone interact. energy: -0.716
local terms energy: -366.293999
where:
bonds (distance) C4'-P energy: -89.867
bonds (distance) P-C4' energy: -86.961
flat angles C4'-P-C4' energy: -84.837
flat angles P-C4'-P energy: -55.059
tors. eta vs tors. theta energy: -49.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -593.312416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.312416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.312416 (E_RNA)
where:
Base-Base interactions energy: -276.975
where: short stacking energy: -181.243
Base-Backbone interact. energy: -1.247
local terms energy: -315.090580
where:
bonds (distance) C4'-P energy: -83.116
bonds (distance) P-C4' energy: -96.766
flat angles C4'-P-C4' energy: -78.907
flat angles P-C4'-P energy: -44.335
tors. eta vs tors. theta energy: -11.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -462.239756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.239756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.239756 (E_RNA)
where:
Base-Base interactions energy: -174.317
where: short stacking energy: -118.262
Base-Backbone interact. energy: -3.494
local terms energy: -284.429113
where:
bonds (distance) C4'-P energy: -74.380
bonds (distance) P-C4' energy: -88.999
flat angles C4'-P-C4' energy: -63.658
flat angles P-C4'-P energy: -55.030
tors. eta vs tors. theta energy: -2.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -420.471516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.471516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.471516 (E_RNA)
where:
Base-Base interactions energy: -132.623
where: short stacking energy: -116.762
Base-Backbone interact. energy: 1.118
local terms energy: -288.966233
where:
bonds (distance) C4'-P energy: -82.155
bonds (distance) P-C4' energy: -75.465
flat angles C4'-P-C4' energy: -87.754
flat angles P-C4'-P energy: -46.573
tors. eta vs tors. theta energy: 2.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -371.840423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.840423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.840423 (E_RNA)
where:
Base-Base interactions energy: -131.787
where: short stacking energy: -125.403
Base-Backbone interact. energy: 0.593
local terms energy: -240.646667
where:
bonds (distance) C4'-P energy: -74.412
bonds (distance) P-C4' energy: -79.633
flat angles C4'-P-C4' energy: -61.362
flat angles P-C4'-P energy: -23.856
tors. eta vs tors. theta energy: -1.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -346.526899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.526899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.526899 (E_RNA)
where:
Base-Base interactions energy: -110.574
where: short stacking energy: -85.410
Base-Backbone interact. energy: -3.218
local terms energy: -232.735103
where:
bonds (distance) C4'-P energy: -80.665
bonds (distance) P-C4' energy: -71.124
flat angles C4'-P-C4' energy: -67.876
flat angles P-C4'-P energy: -40.474
tors. eta vs tors. theta energy: 27.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1241.682404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.682404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.682404 (E_RNA)
where:
Base-Base interactions energy: -746.837
where: short stacking energy: -464.582
Base-Backbone interact. energy: -0.641
local terms energy: -494.204627
where:
bonds (distance) C4'-P energy: -95.805
bonds (distance) P-C4' energy: -84.354
flat angles C4'-P-C4' energy: -101.444
flat angles P-C4'-P energy: -73.673
tors. eta vs tors. theta energy: -138.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1130.138409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.138409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.138409 (E_RNA)
where:
Base-Base interactions energy: -673.658
where: short stacking energy: -384.982
Base-Backbone interact. energy: 1.337
local terms energy: -457.816861
where:
bonds (distance) C4'-P energy: -82.487
bonds (distance) P-C4' energy: -93.050
flat angles C4'-P-C4' energy: -93.740
flat angles P-C4'-P energy: -67.659
tors. eta vs tors. theta energy: -120.881
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: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -988.239330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.239330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.239330 (E_RNA)
where:
Base-Base interactions energy: -565.131
where: short stacking energy: -327.568
Base-Backbone interact. energy: 0.352
local terms energy: -423.461159
where:
bonds (distance) C4'-P energy: -80.521
bonds (distance) P-C4' energy: -96.995
flat angles C4'-P-C4' energy: -91.647
flat angles P-C4'-P energy: -57.184
tors. eta vs tors. theta energy: -97.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -746.898080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.898080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.898080 (E_RNA)
where:
Base-Base interactions energy: -385.114
where: short stacking energy: -251.117
Base-Backbone interact. energy: 1.742
local terms energy: -363.526498
where:
bonds (distance) C4'-P energy: -85.958
bonds (distance) P-C4' energy: -79.661
flat angles C4'-P-C4' energy: -91.445
flat angles P-C4'-P energy: -59.051
tors. eta vs tors. theta energy: -47.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -761.809957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.809957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.809957 (E_RNA)
where:
Base-Base interactions energy: -373.604
where: short stacking energy: -242.497
Base-Backbone interact. energy: 0.878
local terms energy: -389.084061
where:
bonds (distance) C4'-P energy: -82.717
bonds (distance) P-C4' energy: -93.185
flat angles C4'-P-C4' energy: -96.132
flat angles P-C4'-P energy: -55.509
tors. eta vs tors. theta energy: -61.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -588.160848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.160848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.160848 (E_RNA)
where:
Base-Base interactions energy: -268.669
where: short stacking energy: -186.442
Base-Backbone interact. energy: -1.507
local terms energy: -317.985403
where:
bonds (distance) C4'-P energy: -68.778
bonds (distance) P-C4' energy: -72.202
flat angles C4'-P-C4' energy: -72.679
flat angles P-C4'-P energy: -67.644
tors. eta vs tors. theta energy: -36.682
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: 265
Temperature: 1.200000
Total energy: -446.438294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.438294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.438294 (E_RNA)
where:
Base-Base interactions energy: -177.527
where: short stacking energy: -151.361
Base-Backbone interact. energy: -1.009
local terms energy: -267.901625
where:
bonds (distance) C4'-P energy: -59.516
bonds (distance) P-C4' energy: -85.902
flat angles C4'-P-C4' energy: -70.276
flat angles P-C4'-P energy: -36.563
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -428.348162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.348162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.348162 (E_RNA)
where:
Base-Base interactions energy: -150.052
where: short stacking energy: -133.498
Base-Backbone interact. energy: -1.567
local terms energy: -276.730127
where:
bonds (distance) C4'-P energy: -85.119
bonds (distance) P-C4' energy: -79.368
flat angles C4'-P-C4' energy: -55.270
flat angles P-C4'-P energy: -45.672
tors. eta vs tors. theta energy: -11.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -368.134799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.134799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.134799 (E_RNA)
where:
Base-Base interactions energy: -149.870
where: short stacking energy: -88.453
Base-Backbone interact. energy: 0.183
local terms energy: -218.447473
where:
bonds (distance) C4'-P energy: -77.918
bonds (distance) P-C4' energy: -72.048
flat angles C4'-P-C4' energy: -54.830
flat angles P-C4'-P energy: -47.111
tors. eta vs tors. theta energy: 33.460
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: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -356.103739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.103739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.103739 (E_RNA)
where:
Base-Base interactions energy: -124.588
where: short stacking energy: -88.311
Base-Backbone interact. energy: 1.274
local terms energy: -232.789275
where:
bonds (distance) C4'-P energy: -75.815
bonds (distance) P-C4' energy: -72.088
flat angles C4'-P-C4' energy: -63.573
flat angles P-C4'-P energy: -42.794
tors. eta vs tors. theta energy: 21.482
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: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1212.523390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.523390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.523390 (E_RNA)
where:
Base-Base interactions energy: -721.843
where: short stacking energy: -447.873
Base-Backbone interact. energy: -3.477
local terms energy: -487.203195
where:
bonds (distance) C4'-P energy: -97.548
bonds (distance) P-C4' energy: -84.425
flat angles C4'-P-C4' energy: -101.283
flat angles P-C4'-P energy: -66.887
tors. eta vs tors. theta energy: -137.060
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: 6
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1147.169757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.169757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.169757 (E_RNA)
where:
Base-Base interactions energy: -685.832
where: short stacking energy: -388.808
Base-Backbone interact. energy: 1.081
local terms energy: -462.419393
where:
bonds (distance) C4'-P energy: -94.144
bonds (distance) P-C4' energy: -97.883
flat angles C4'-P-C4' energy: -94.126
flat angles P-C4'-P energy: -60.987
tors. eta vs tors. theta energy: -115.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -997.417893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.417893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.417893 (E_RNA)
where:
Base-Base interactions energy: -564.326
where: short stacking energy: -327.120
Base-Backbone interact. energy: -2.199
local terms energy: -430.892297
where:
bonds (distance) C4'-P energy: -78.466
bonds (distance) P-C4' energy: -99.630
flat angles C4'-P-C4' energy: -96.264
flat angles P-C4'-P energy: -61.984
tors. eta vs tors. theta energy: -94.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -751.099554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.099554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.099554 (E_RNA)
where:
Base-Base interactions energy: -376.248
where: short stacking energy: -245.718
Base-Backbone interact. energy: -0.504
local terms energy: -374.347103
where:
bonds (distance) C4'-P energy: -88.507
bonds (distance) P-C4' energy: -96.540
flat angles C4'-P-C4' energy: -87.463
flat angles P-C4'-P energy: -54.844
tors. eta vs tors. theta energy: -46.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -753.657541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.657541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.657541 (E_RNA)
where:
Base-Base interactions energy: -392.678
where: short stacking energy: -236.803
Base-Backbone interact. energy: 5.303
local terms energy: -366.282402
where:
bonds (distance) C4'-P energy: -88.854
bonds (distance) P-C4' energy: -87.006
flat angles C4'-P-C4' energy: -94.447
flat angles P-C4'-P energy: -39.873
tors. eta vs tors. theta energy: -56.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -527.443967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.443967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.443967 (E_RNA)
where:
Base-Base interactions energy: -236.693
where: short stacking energy: -161.761
Base-Backbone interact. energy: -0.164
local terms energy: -290.586457
where:
bonds (distance) C4'-P energy: -67.889
bonds (distance) P-C4' energy: -92.307
flat angles C4'-P-C4' energy: -60.269
flat angles P-C4'-P energy: -60.670
tors. eta vs tors. theta energy: -9.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -453.929339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.929339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.929339 (E_RNA)
where:
Base-Base interactions energy: -165.674
where: short stacking energy: -131.724
Base-Backbone interact. energy: -0.139
local terms energy: -288.115614
where:
bonds (distance) C4'-P energy: -80.356
bonds (distance) P-C4' energy: -82.170
flat angles C4'-P-C4' energy: -78.528
flat angles P-C4'-P energy: -43.249
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -416.328690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.328690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.328690 (E_RNA)
where:
Base-Base interactions energy: -120.655
where: short stacking energy: -104.760
Base-Backbone interact. energy: 0.537
local terms energy: -296.211168
where:
bonds (distance) C4'-P energy: -78.106
bonds (distance) P-C4' energy: -93.527
flat angles C4'-P-C4' energy: -70.698
flat angles P-C4'-P energy: -39.776
tors. eta vs tors. theta energy: -14.104
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: 266
Temperature: 1.300000
Total energy: -389.501670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.501670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.501670 (E_RNA)
where:
Base-Base interactions energy: -111.894
where: short stacking energy: -106.995
Base-Backbone interact. energy: 0.983
local terms energy: -278.591288
where:
bonds (distance) C4'-P energy: -85.195
bonds (distance) P-C4' energy: -77.452
flat angles C4'-P-C4' energy: -68.640
flat angles P-C4'-P energy: -45.877
tors. eta vs tors. theta energy: -1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -364.801195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.801195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.801195 (E_RNA)
where:
Base-Base interactions energy: -139.583
where: short stacking energy: -120.982
Base-Backbone interact. energy: -1.389
local terms energy: -223.829614
where:
bonds (distance) C4'-P energy: -57.658
bonds (distance) P-C4' energy: -89.288
flat angles C4'-P-C4' energy: -67.969
flat angles P-C4'-P energy: -19.916
tors. eta vs tors. theta energy: 11.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1219.862575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.862575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.862575 (E_RNA)
where:
Base-Base interactions energy: -709.553
where: short stacking energy: -433.138
Base-Backbone interact. energy: -0.583
local terms energy: -509.726567
where:
bonds (distance) C4'-P energy: -101.060
bonds (distance) P-C4' energy: -94.657
flat angles C4'-P-C4' energy: -109.164
flat angles P-C4'-P energy: -70.248
tors. eta vs tors. theta energy: -134.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1129.036197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.036197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.036197 (E_RNA)
where:
Base-Base interactions energy: -674.042
where: short stacking energy: -381.179
Base-Backbone interact. energy: -3.381
local terms energy: -451.613063
where:
bonds (distance) C4'-P energy: -95.331
bonds (distance) P-C4' energy: -83.175
flat angles C4'-P-C4' energy: -99.739
flat angles P-C4'-P energy: -63.469
tors. eta vs tors. theta energy: -109.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -964.683568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.683568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.683568 (E_RNA)
where:
Base-Base interactions energy: -561.753
where: short stacking energy: -335.201
Base-Backbone interact. energy: -0.771
local terms energy: -402.159060
where:
bonds (distance) C4'-P energy: -81.499
bonds (distance) P-C4' energy: -91.990
flat angles C4'-P-C4' energy: -88.142
flat angles P-C4'-P energy: -52.580
tors. eta vs tors. theta energy: -87.948
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: 267
Temperature: 1.050000
Total energy: -805.006447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.006447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.006447 (E_RNA)
where:
Base-Base interactions energy: -409.025
where: short stacking energy: -285.170
Base-Backbone interact. energy: -0.790
local terms energy: -395.190584
where:
bonds (distance) C4'-P energy: -87.024
bonds (distance) P-C4' energy: -82.814
flat angles C4'-P-C4' energy: -94.444
flat angles P-C4'-P energy: -58.527
tors. eta vs tors. theta energy: -72.382
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: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -696.840255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.840255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.840255 (E_RNA)
where:
Base-Base interactions energy: -343.365
where: short stacking energy: -240.355
Base-Backbone interact. energy: -0.357
local terms energy: -353.117959
where:
bonds (distance) C4'-P energy: -87.270
bonds (distance) P-C4' energy: -72.439
flat angles C4'-P-C4' energy: -76.153
flat angles P-C4'-P energy: -52.197
tors. eta vs tors. theta energy: -65.060
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: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -506.484077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.484077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.484077 (E_RNA)
where:
Base-Base interactions energy: -191.171
where: short stacking energy: -182.446
Base-Backbone interact. energy: -0.397
local terms energy: -314.916575
where:
bonds (distance) C4'-P energy: -86.481
bonds (distance) P-C4' energy: -86.303
flat angles C4'-P-C4' energy: -66.476
flat angles P-C4'-P energy: -54.041
tors. eta vs tors. theta energy: -21.616
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: 7, replica: 8
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -451.500261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.500261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.500261 (E_RNA)
where:
Base-Base interactions energy: -140.366
where: short stacking energy: -104.241
Base-Backbone interact. energy: 4.693
local terms energy: -315.827562
where:
bonds (distance) C4'-P energy: -75.046
bonds (distance) P-C4' energy: -102.282
flat angles C4'-P-C4' energy: -80.690
flat angles P-C4'-P energy: -66.365
tors. eta vs tors. theta energy: 8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -407.134118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.134118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.134118 (E_RNA)
where:
Base-Base interactions energy: -138.157
where: short stacking energy: -129.396
Base-Backbone interact. energy: -1.250
local terms energy: -267.727887
where:
bonds (distance) C4'-P energy: -77.084
bonds (distance) P-C4' energy: -81.854
flat angles C4'-P-C4' energy: -75.179
flat angles P-C4'-P energy: -31.571
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -366.800179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.800179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.800179 (E_RNA)
where:
Base-Base interactions energy: -110.883
where: short stacking energy: -103.598
Base-Backbone interact. energy: 1.763
local terms energy: -257.680323
where:
bonds (distance) C4'-P energy: -80.317
bonds (distance) P-C4' energy: -74.815
flat angles C4'-P-C4' energy: -54.911
flat angles P-C4'-P energy: -41.541
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -349.765745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.765745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.765745 (E_RNA)
where:
Base-Base interactions energy: -106.603
where: short stacking energy: -97.315
Base-Backbone interact. energy: 2.113
local terms energy: -245.276358
where:
bonds (distance) C4'-P energy: -62.278
bonds (distance) P-C4' energy: -90.401
flat angles C4'-P-C4' energy: -68.667
flat angles P-C4'-P energy: -31.871
tors. eta vs tors. theta energy: 7.941
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: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1222.536240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.536240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.536240 (E_RNA)
where:
Base-Base interactions energy: -726.122
where: short stacking energy: -453.412
Base-Backbone interact. energy: -1.120
local terms energy: -495.293800
where:
bonds (distance) C4'-P energy: -92.857
bonds (distance) P-C4' energy: -87.260
flat angles C4'-P-C4' energy: -106.980
flat angles P-C4'-P energy: -70.246
tors. eta vs tors. theta energy: -137.951
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: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1147.352026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.352026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.352026 (E_RNA)
where:
Base-Base interactions energy: -667.759
where: short stacking energy: -399.159
Base-Backbone interact. energy: -1.029
local terms energy: -478.563604
where:
bonds (distance) C4'-P energy: -90.242
bonds (distance) P-C4' energy: -88.249
flat angles C4'-P-C4' energy: -98.461
flat angles P-C4'-P energy: -78.656
tors. eta vs tors. theta energy: -122.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -980.628427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.628427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.628427 (E_RNA)
where:
Base-Base interactions energy: -569.102
where: short stacking energy: -344.849
Base-Backbone interact. energy: -1.658
local terms energy: -409.868491
where:
bonds (distance) C4'-P energy: -78.576
bonds (distance) P-C4' energy: -92.034
flat angles C4'-P-C4' energy: -84.618
flat angles P-C4'-P energy: -59.277
tors. eta vs tors. theta energy: -95.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -785.611037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.611037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.611037 (E_RNA)
where:
Base-Base interactions energy: -429.441
where: short stacking energy: -250.760
Base-Backbone interact. energy: -0.897
local terms energy: -355.272724
where:
bonds (distance) C4'-P energy: -89.568
bonds (distance) P-C4' energy: -81.887
flat angles C4'-P-C4' energy: -76.929
flat angles P-C4'-P energy: -58.392
tors. eta vs tors. theta energy: -48.496
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: 10
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -664.409286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.409286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.409286 (E_RNA)
where:
Base-Base interactions energy: -310.754
where: short stacking energy: -221.014
Base-Backbone interact. energy: -0.417
local terms energy: -353.237574
where:
bonds (distance) C4'-P energy: -82.955
bonds (distance) P-C4' energy: -85.962
flat angles C4'-P-C4' energy: -89.051
flat angles P-C4'-P energy: -52.398
tors. eta vs tors. theta energy: -42.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -518.472080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.472080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.472080 (E_RNA)
where:
Base-Base interactions energy: -199.940
where: short stacking energy: -164.118
Base-Backbone interact. energy: -2.082
local terms energy: -316.449981
where:
bonds (distance) C4'-P energy: -82.568
bonds (distance) P-C4' energy: -91.640
flat angles C4'-P-C4' energy: -86.421
flat angles P-C4'-P energy: -39.798
tors. eta vs tors. theta energy: -16.023
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: 7, replica: 8
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -460.420891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.420891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.420891 (E_RNA)
where:
Base-Base interactions energy: -173.912
where: short stacking energy: -135.381
Base-Backbone interact. energy: 2.221
local terms energy: -288.729176
where:
bonds (distance) C4'-P energy: -80.952
bonds (distance) P-C4' energy: -75.323
flat angles C4'-P-C4' energy: -76.803
flat angles P-C4'-P energy: -58.596
tors. eta vs tors. theta energy: 2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -400.381508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.381508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.381508 (E_RNA)
where:
Base-Base interactions energy: -121.871
where: short stacking energy: -111.570
Base-Backbone interact. energy: 4.141
local terms energy: -282.651717
where:
bonds (distance) C4'-P energy: -77.629
bonds (distance) P-C4' energy: -91.400
flat angles C4'-P-C4' energy: -82.052
flat angles P-C4'-P energy: -34.782
tors. eta vs tors. theta energy: 3.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -382.820415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.820415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.820415 (E_RNA)
where:
Base-Base interactions energy: -129.790
where: short stacking energy: -121.838
Base-Backbone interact. energy: 2.663
local terms energy: -255.693247
where:
bonds (distance) C4'-P energy: -74.690
bonds (distance) P-C4' energy: -77.495
flat angles C4'-P-C4' energy: -59.166
flat angles P-C4'-P energy: -46.338
tors. eta vs tors. theta energy: 1.996
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: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -342.340343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.340343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.340343 (E_RNA)
where:
Base-Base interactions energy: -119.689
where: short stacking energy: -113.661
Base-Backbone interact. energy: -0.495
local terms energy: -222.155927
where:
bonds (distance) C4'-P energy: -66.826
bonds (distance) P-C4' energy: -72.987
flat angles C4'-P-C4' energy: -56.701
flat angles P-C4'-P energy: -36.263
tors. eta vs tors. theta energy: 10.621
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: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1247.764692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.764692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.764692 (E_RNA)
where:
Base-Base interactions energy: -745.141
where: short stacking energy: -469.644
Base-Backbone interact. energy: -2.449
local terms energy: -500.174064
where:
bonds (distance) C4'-P energy: -82.530
bonds (distance) P-C4' energy: -93.186
flat angles C4'-P-C4' energy: -106.150
flat angles P-C4'-P energy: -76.610
tors. eta vs tors. theta energy: -141.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1129.188727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.188727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.188727 (E_RNA)
where:
Base-Base interactions energy: -674.979
where: short stacking energy: -390.215
Base-Backbone interact. energy: -1.398
local terms energy: -452.811719
where:
bonds (distance) C4'-P energy: -89.410
bonds (distance) P-C4' energy: -104.676
flat angles C4'-P-C4' energy: -89.183
flat angles P-C4'-P energy: -58.556
tors. eta vs tors. theta energy: -110.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -975.389337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.389337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.389337 (E_RNA)
where:
Base-Base interactions energy: -564.365
where: short stacking energy: -330.604
Base-Backbone interact. energy: -0.829
local terms energy: -410.195624
where:
bonds (distance) C4'-P energy: -94.890
bonds (distance) P-C4' energy: -72.070
flat angles C4'-P-C4' energy: -82.512
flat angles P-C4'-P energy: -60.880
tors. eta vs tors. theta energy: -99.844
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: 4, replica: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -795.296374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.296374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.296374 (E_RNA)
where:
Base-Base interactions energy: -429.174
where: short stacking energy: -260.796
Base-Backbone interact. energy: -1.760
local terms energy: -364.362478
where:
bonds (distance) C4'-P energy: -91.703
bonds (distance) P-C4' energy: -86.274
flat angles C4'-P-C4' energy: -85.088
flat angles P-C4'-P energy: -55.117
tors. eta vs tors. theta energy: -46.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -669.572052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.572052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.572052 (E_RNA)
where:
Base-Base interactions energy: -333.077
where: short stacking energy: -217.362
Base-Backbone interact. energy: -2.024
local terms energy: -334.470132
where:
bonds (distance) C4'-P energy: -77.473
bonds (distance) P-C4' energy: -85.011
flat angles C4'-P-C4' energy: -80.605
flat angles P-C4'-P energy: -51.002
tors. eta vs tors. theta energy: -40.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -470.453443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.453443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.453443 (E_RNA)
where:
Base-Base interactions energy: -176.224
where: short stacking energy: -153.048
Base-Backbone interact. energy: -1.209
local terms energy: -293.020041
where:
bonds (distance) C4'-P energy: -83.277
bonds (distance) P-C4' energy: -88.716
flat angles C4'-P-C4' energy: -65.808
flat angles P-C4'-P energy: -48.356
tors. eta vs tors. theta energy: -6.864
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: 269
Temperature: 1.200000
Total energy: -456.636868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.636868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.636868 (E_RNA)
where:
Base-Base interactions energy: -155.455
where: short stacking energy: -147.364
Base-Backbone interact. energy: -0.642
local terms energy: -300.539912
where:
bonds (distance) C4'-P energy: -80.245
bonds (distance) P-C4' energy: -87.976
flat angles C4'-P-C4' energy: -84.058
flat angles P-C4'-P energy: -50.843
tors. eta vs tors. theta energy: 2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -424.485187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.485187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.485187 (E_RNA)
where:
Base-Base interactions energy: -153.377
where: short stacking energy: -131.236
Base-Backbone interact. energy: -0.337
local terms energy: -270.771203
where:
bonds (distance) C4'-P energy: -66.272
bonds (distance) P-C4' energy: -77.204
flat angles C4'-P-C4' energy: -81.898
flat angles P-C4'-P energy: -37.965
tors. eta vs tors. theta energy: -7.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -376.924478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.924478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.924478 (E_RNA)
where:
Base-Base interactions energy: -120.580
where: short stacking energy: -107.670
Base-Backbone interact. energy: 4.179
local terms energy: -260.524220
where:
bonds (distance) C4'-P energy: -74.002
bonds (distance) P-C4' energy: -83.440
flat angles C4'-P-C4' energy: -70.343
flat angles P-C4'-P energy: -46.324
tors. eta vs tors. theta energy: 13.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -363.219529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.219529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.219529 (E_RNA)
where:
Base-Base interactions energy: -105.444
where: short stacking energy: -88.547
Base-Backbone interact. energy: -2.451
local terms energy: -255.324599
where:
bonds (distance) C4'-P energy: -73.586
bonds (distance) P-C4' energy: -86.889
flat angles C4'-P-C4' energy: -84.002
flat angles P-C4'-P energy: -24.490
tors. eta vs tors. theta energy: 13.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1277.679461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.679461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.679461 (E_RNA)
where:
Base-Base interactions energy: -749.980
where: short stacking energy: -459.038
Base-Backbone interact. energy: 0.604
local terms energy: -528.303608
where:
bonds (distance) C4'-P energy: -95.963
bonds (distance) P-C4' energy: -93.382
flat angles C4'-P-C4' energy: -115.467
flat angles P-C4'-P energy: -74.213
tors. eta vs tors. theta energy: -149.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1121.559485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.559485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.559485 (E_RNA)
where:
Base-Base interactions energy: -663.350
where: short stacking energy: -388.707
Base-Backbone interact. energy: -0.843
local terms energy: -457.366223
where:
bonds (distance) C4'-P energy: -84.665
bonds (distance) P-C4' energy: -98.971
flat angles C4'-P-C4' energy: -100.173
flat angles P-C4'-P energy: -60.911
tors. eta vs tors. theta energy: -112.647
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: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1013.384049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.384049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.384049 (E_RNA)
where:
Base-Base interactions energy: -599.813
where: short stacking energy: -340.992
Base-Backbone interact. energy: -1.066
local terms energy: -412.505612
where:
bonds (distance) C4'-P energy: -80.789
bonds (distance) P-C4' energy: -83.951
flat angles C4'-P-C4' energy: -94.708
flat angles P-C4'-P energy: -58.196
tors. eta vs tors. theta energy: -94.861
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: 270
Temperature: 1.050000
Total energy: -785.335795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.335795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.335795 (E_RNA)
where:
Base-Base interactions energy: -424.530
where: short stacking energy: -279.570
Base-Backbone interact. energy: -1.709
local terms energy: -359.096743
where:
bonds (distance) C4'-P energy: -78.926
bonds (distance) P-C4' energy: -93.832
flat angles C4'-P-C4' energy: -77.684
flat angles P-C4'-P energy: -54.933
tors. eta vs tors. theta energy: -53.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -678.659360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.659360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.659360 (E_RNA)
where:
Base-Base interactions energy: -333.872
where: short stacking energy: -217.887
Base-Backbone interact. energy: 1.194
local terms energy: -345.981395
where:
bonds (distance) C4'-P energy: -85.855
bonds (distance) P-C4' energy: -93.729
flat angles C4'-P-C4' energy: -81.614
flat angles P-C4'-P energy: -46.644
tors. eta vs tors. theta energy: -38.140
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: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -510.550450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.550450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.550450 (E_RNA)
where:
Base-Base interactions energy: -214.794
where: short stacking energy: -155.357
Base-Backbone interact. energy: 2.443
local terms energy: -298.199041
where:
bonds (distance) C4'-P energy: -81.532
bonds (distance) P-C4' energy: -86.754
flat angles C4'-P-C4' energy: -70.973
flat angles P-C4'-P energy: -56.425
tors. eta vs tors. theta energy: -2.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -456.265107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.265107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.265107 (E_RNA)
where:
Base-Base interactions energy: -186.639
where: short stacking energy: -136.930
Base-Backbone interact. energy: -0.302
local terms energy: -269.323874
where:
bonds (distance) C4'-P energy: -74.764
bonds (distance) P-C4' energy: -77.545
flat angles C4'-P-C4' energy: -77.016
flat angles P-C4'-P energy: -43.562
tors. eta vs tors. theta energy: 3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -395.939728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.939728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.939728 (E_RNA)
where:
Base-Base interactions energy: -121.556
where: short stacking energy: -102.816
Base-Backbone interact. energy: -0.843
local terms energy: -273.541015
where:
bonds (distance) C4'-P energy: -80.811
bonds (distance) P-C4' energy: -81.433
flat angles C4'-P-C4' energy: -66.928
flat angles P-C4'-P energy: -44.590
tors. eta vs tors. theta energy: 0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -397.008053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.008053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.008053 (E_RNA)
where:
Base-Base interactions energy: -132.367
where: short stacking energy: -109.614
Base-Backbone interact. energy: 3.422
local terms energy: -268.062511
where:
bonds (distance) C4'-P energy: -75.713
bonds (distance) P-C4' energy: -82.781
flat angles C4'-P-C4' energy: -71.377
flat angles P-C4'-P energy: -54.203
tors. eta vs tors. theta energy: 16.011
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: 1
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -369.140163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.140163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.140163 (E_RNA)
where:
Base-Base interactions energy: -130.038
where: short stacking energy: -94.404
Base-Backbone interact. energy: -0.225
local terms energy: -238.877340
where:
bonds (distance) C4'-P energy: -74.324
bonds (distance) P-C4' energy: -76.192
flat angles C4'-P-C4' energy: -53.803
flat angles P-C4'-P energy: -37.146
tors. eta vs tors. theta energy: 2.586
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: 2
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1272.425422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.425422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.425422 (E_RNA)
where:
Base-Base interactions energy: -754.788
where: short stacking energy: -460.791
Base-Backbone interact. energy: 0.126
local terms energy: -517.763303
where:
bonds (distance) C4'-P energy: -100.260
bonds (distance) P-C4' energy: -88.998
flat angles C4'-P-C4' energy: -106.280
flat angles P-C4'-P energy: -70.041
tors. eta vs tors. theta energy: -152.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1151.836646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.836646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.836646 (E_RNA)
where:
Base-Base interactions energy: -671.267
where: short stacking energy: -417.556
Base-Backbone interact. energy: -0.612
local terms energy: -479.956830
where:
bonds (distance) C4'-P energy: -94.437
bonds (distance) P-C4' energy: -97.181
flat angles C4'-P-C4' energy: -99.917
flat angles P-C4'-P energy: -68.767
tors. eta vs tors. theta energy: -119.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -998.547380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.547380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.547380 (E_RNA)
where:
Base-Base interactions energy: -586.342
where: short stacking energy: -327.556
Base-Backbone interact. energy: -1.160
local terms energy: -411.044593
where:
bonds (distance) C4'-P energy: -83.073
bonds (distance) P-C4' energy: -97.633
flat angles C4'-P-C4' energy: -94.673
flat angles P-C4'-P energy: -52.176
tors. eta vs tors. theta energy: -83.489
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: 4, replica: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -794.559645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.559645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.559645 (E_RNA)
where:
Base-Base interactions energy: -431.207
where: short stacking energy: -265.026
Base-Backbone interact. energy: -1.271
local terms energy: -362.082169
where:
bonds (distance) C4'-P energy: -74.594
bonds (distance) P-C4' energy: -92.372
flat angles C4'-P-C4' energy: -82.111
flat angles P-C4'-P energy: -56.592
tors. eta vs tors. theta energy: -56.413
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: 5, replica: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -688.165434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.165434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.165434 (E_RNA)
where:
Base-Base interactions energy: -324.883
where: short stacking energy: -230.150
Base-Backbone interact. energy: 1.031
local terms energy: -364.313016
where:
bonds (distance) C4'-P energy: -84.278
bonds (distance) P-C4' energy: -89.915
flat angles C4'-P-C4' energy: -80.420
flat angles P-C4'-P energy: -65.478
tors. eta vs tors. theta energy: -44.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -512.178321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.178321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.178321 (E_RNA)
where:
Base-Base interactions energy: -193.985
where: short stacking energy: -172.409
Base-Backbone interact. energy: -0.246
local terms energy: -317.947326
where:
bonds (distance) C4'-P energy: -84.722
bonds (distance) P-C4' energy: -90.568
flat angles C4'-P-C4' energy: -79.546
flat angles P-C4'-P energy: -58.829
tors. eta vs tors. theta energy: -4.283
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: 271
Temperature: 1.200000
Total energy: -446.323254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.323254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.323254 (E_RNA)
where:
Base-Base interactions energy: -152.365
where: short stacking energy: -141.891
Base-Backbone interact. energy: -0.908
local terms energy: -293.050996
where:
bonds (distance) C4'-P energy: -78.118
bonds (distance) P-C4' energy: -83.344
flat angles C4'-P-C4' energy: -75.194
flat angles P-C4'-P energy: -48.296
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -416.500884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.500884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.500884 (E_RNA)
where:
Base-Base interactions energy: -136.531
where: short stacking energy: -116.677
Base-Backbone interact. energy: 0.771
local terms energy: -280.741050
where:
bonds (distance) C4'-P energy: -90.288
bonds (distance) P-C4' energy: -78.052
flat angles C4'-P-C4' energy: -76.641
flat angles P-C4'-P energy: -46.699
tors. eta vs tors. theta energy: 10.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -381.663307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.663307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.663307 (E_RNA)
where:
Base-Base interactions energy: -148.430
where: short stacking energy: -113.534
Base-Backbone interact. energy: 11.217
local terms energy: -244.449421
where:
bonds (distance) C4'-P energy: -79.959
bonds (distance) P-C4' energy: -83.358
flat angles C4'-P-C4' energy: -40.730
flat angles P-C4'-P energy: -45.863
tors. eta vs tors. theta energy: 5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -341.821016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.821016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.821016 (E_RNA)
where:
Base-Base interactions energy: -134.922
where: short stacking energy: -112.959
Base-Backbone interact. energy: -0.320
local terms energy: -206.579047
where:
bonds (distance) C4'-P energy: -75.509
bonds (distance) P-C4' energy: -58.255
flat angles C4'-P-C4' energy: -50.999
flat angles P-C4'-P energy: -41.958
tors. eta vs tors. theta energy: 20.143
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: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1254.106587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.106587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.106587 (E_RNA)
where:
Base-Base interactions energy: -753.689
where: short stacking energy: -463.128
Base-Backbone interact. energy: -0.596
local terms energy: -499.821282
where:
bonds (distance) C4'-P energy: -94.939
bonds (distance) P-C4' energy: -99.131
flat angles C4'-P-C4' energy: -97.289
flat angles P-C4'-P energy: -70.191
tors. eta vs tors. theta energy: -138.270
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: 6
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1183.252664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.252664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.252664 (E_RNA)
where:
Base-Base interactions energy: -691.796
where: short stacking energy: -410.044
Base-Backbone interact. energy: -2.232
local terms energy: -489.224964
where:
bonds (distance) C4'-P energy: -85.299
bonds (distance) P-C4' energy: -101.267
flat angles C4'-P-C4' energy: -108.886
flat angles P-C4'-P energy: -67.884
tors. eta vs tors. theta energy: -125.889
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: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -978.262641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.262641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.262641 (E_RNA)
where:
Base-Base interactions energy: -572.604
where: short stacking energy: -345.355
Base-Backbone interact. energy: -0.248
local terms energy: -405.410329
where:
bonds (distance) C4'-P energy: -82.093
bonds (distance) P-C4' energy: -90.082
flat angles C4'-P-C4' energy: -93.714
flat angles P-C4'-P energy: -53.474
tors. eta vs tors. theta energy: -86.047
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: 4, replica: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -806.650738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.650738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.650738 (E_RNA)
where:
Base-Base interactions energy: -426.237
where: short stacking energy: -264.928
Base-Backbone interact. energy: 0.379
local terms energy: -380.792436
where:
bonds (distance) C4'-P energy: -86.299
bonds (distance) P-C4' energy: -96.219
flat angles C4'-P-C4' energy: -89.424
flat angles P-C4'-P energy: -50.751
tors. eta vs tors. theta energy: -58.099
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: 10
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -671.235779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.235779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.235779 (E_RNA)
where:
Base-Base interactions energy: -340.643
where: short stacking energy: -228.613
Base-Backbone interact. energy: -2.622
local terms energy: -327.970455
where:
bonds (distance) C4'-P energy: -60.464
bonds (distance) P-C4' energy: -97.210
flat angles C4'-P-C4' energy: -88.330
flat angles P-C4'-P energy: -52.090
tors. eta vs tors. theta energy: -29.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -504.171800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.171800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.171800 (E_RNA)
where:
Base-Base interactions energy: -198.774
where: short stacking energy: -125.808
Base-Backbone interact. energy: -2.870
local terms energy: -302.528368
where:
bonds (distance) C4'-P energy: -84.514
bonds (distance) P-C4' energy: -91.517
flat angles C4'-P-C4' energy: -76.650
flat angles P-C4'-P energy: -50.793
tors. eta vs tors. theta energy: 0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -429.292198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.292198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.292198 (E_RNA)
where:
Base-Base interactions energy: -135.210
where: short stacking energy: -113.392
Base-Backbone interact. energy: -1.399
local terms energy: -292.682799
where:
bonds (distance) C4'-P energy: -87.803
bonds (distance) P-C4' energy: -82.963
flat angles C4'-P-C4' energy: -80.917
flat angles P-C4'-P energy: -47.165
tors. eta vs tors. theta energy: 6.165
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: 272
Temperature: 1.250000
Total energy: -453.275058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.275058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.275058 (E_RNA)
where:
Base-Base interactions energy: -175.602
where: short stacking energy: -153.447
Base-Backbone interact. energy: 1.049
local terms energy: -278.721976
where:
bonds (distance) C4'-P energy: -61.079
bonds (distance) P-C4' energy: -91.497
flat angles C4'-P-C4' energy: -74.163
flat angles P-C4'-P energy: -38.800
tors. eta vs tors. theta energy: -13.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -386.176533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.176533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.176533 (E_RNA)
where:
Base-Base interactions energy: -117.240
where: short stacking energy: -112.349
Base-Backbone interact. energy: -1.593
local terms energy: -267.343501
where:
bonds (distance) C4'-P energy: -60.163
bonds (distance) P-C4' energy: -90.844
flat angles C4'-P-C4' energy: -70.038
flat angles P-C4'-P energy: -45.488
tors. eta vs tors. theta energy: -0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -362.832426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.832426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.832426 (E_RNA)
where:
Base-Base interactions energy: -98.662
where: short stacking energy: -95.128
Base-Backbone interact. energy: -1.824
local terms energy: -262.345885
where:
bonds (distance) C4'-P energy: -69.719
bonds (distance) P-C4' energy: -77.515
flat angles C4'-P-C4' energy: -63.983
flat angles P-C4'-P energy: -58.025
tors. eta vs tors. theta energy: 6.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1232.247519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.247519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.247519 (E_RNA)
where:
Base-Base interactions energy: -749.088
where: short stacking energy: -461.547
Base-Backbone interact. energy: -0.763
local terms energy: -482.396783
where:
bonds (distance) C4'-P energy: -87.132
bonds (distance) P-C4' energy: -91.046
flat angles C4'-P-C4' energy: -103.255
flat angles P-C4'-P energy: -64.237
tors. eta vs tors. theta energy: -136.727
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: 2, replica: 6
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1160.977548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.977548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.977548 (E_RNA)
where:
Base-Base interactions energy: -678.052
where: short stacking energy: -382.431
Base-Backbone interact. energy: -3.077
local terms energy: -479.848707
where:
bonds (distance) C4'-P energy: -90.741
bonds (distance) P-C4' energy: -102.704
flat angles C4'-P-C4' energy: -105.221
flat angles P-C4'-P energy: -70.914
tors. eta vs tors. theta energy: -110.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1008.210660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.210660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.210660 (E_RNA)
where:
Base-Base interactions energy: -571.689
where: short stacking energy: -376.722
Base-Backbone interact. energy: -1.432
local terms energy: -435.089357
where:
bonds (distance) C4'-P energy: -91.720
bonds (distance) P-C4' energy: -94.510
flat angles C4'-P-C4' energy: -90.877
flat angles P-C4'-P energy: -53.526
tors. eta vs tors. theta energy: -104.456
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: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -771.893010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.893010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.893010 (E_RNA)
where:
Base-Base interactions energy: -397.941
where: short stacking energy: -241.460
Base-Backbone interact. energy: 1.221
local terms energy: -375.172312
where:
bonds (distance) C4'-P energy: -76.613
bonds (distance) P-C4' energy: -98.268
flat angles C4'-P-C4' energy: -94.452
flat angles P-C4'-P energy: -65.132
tors. eta vs tors. theta energy: -40.706
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: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -727.896598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.896598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.896598 (E_RNA)
where:
Base-Base interactions energy: -376.143
where: short stacking energy: -245.369
Base-Backbone interact. energy: 2.298
local terms energy: -354.051746
where:
bonds (distance) C4'-P energy: -93.689
bonds (distance) P-C4' energy: -78.876
flat angles C4'-P-C4' energy: -81.929
flat angles P-C4'-P energy: -38.534
tors. eta vs tors. theta energy: -61.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -532.524929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.524929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.524929 (E_RNA)
where:
Base-Base interactions energy: -200.930
where: short stacking energy: -168.573
Base-Backbone interact. energy: -2.098
local terms energy: -329.496582
where:
bonds (distance) C4'-P energy: -75.085
bonds (distance) P-C4' energy: -104.797
flat angles C4'-P-C4' energy: -81.073
flat angles P-C4'-P energy: -51.617
tors. eta vs tors. theta energy: -16.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -430.561199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.561199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.561199 (E_RNA)
where:
Base-Base interactions energy: -147.622
where: short stacking energy: -135.980
Base-Backbone interact. energy: -1.303
local terms energy: -281.636537
where:
bonds (distance) C4'-P energy: -83.911
bonds (distance) P-C4' energy: -79.751
flat angles C4'-P-C4' energy: -68.336
flat angles P-C4'-P energy: -49.562
tors. eta vs tors. theta energy: -0.077
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: 3
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -427.380494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.380494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.380494 (E_RNA)
where:
Base-Base interactions energy: -169.856
where: short stacking energy: -139.835
Base-Backbone interact. energy: 0.897
local terms energy: -258.421429
where:
bonds (distance) C4'-P energy: -78.618
bonds (distance) P-C4' energy: -66.841
flat angles C4'-P-C4' energy: -67.217
flat angles P-C4'-P energy: -33.772
tors. eta vs tors. theta energy: -11.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -390.352775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.352775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.352775 (E_RNA)
where:
Base-Base interactions energy: -140.052
where: short stacking energy: -113.747
Base-Backbone interact. energy: 5.534
local terms energy: -255.835087
where:
bonds (distance) C4'-P energy: -79.616
bonds (distance) P-C4' energy: -86.431
flat angles C4'-P-C4' energy: -61.486
flat angles P-C4'-P energy: -29.217
tors. eta vs tors. theta energy: 0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -356.079029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.079029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.079029 (E_RNA)
where:
Base-Base interactions energy: -115.991
where: short stacking energy: -102.736
Base-Backbone interact. energy: 0.093
local terms energy: -240.181614
where:
bonds (distance) C4'-P energy: -68.173
bonds (distance) P-C4' energy: -82.165
flat angles C4'-P-C4' energy: -65.260
flat angles P-C4'-P energy: -36.488
tors. eta vs tors. theta energy: 11.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1227.260319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.260319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.260319 (E_RNA)
where:
Base-Base interactions energy: -734.864
where: short stacking energy: -452.354
Base-Backbone interact. energy: -0.957
local terms energy: -491.439068
where:
bonds (distance) C4'-P energy: -94.152
bonds (distance) P-C4' energy: -80.083
flat angles C4'-P-C4' energy: -105.404
flat angles P-C4'-P energy: -74.696
tors. eta vs tors. theta energy: -137.104
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: 6
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1159.059769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.059769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.059769 (E_RNA)
where:
Base-Base interactions energy: -708.695
where: short stacking energy: -400.386
Base-Backbone interact. energy: 0.669
local terms energy: -451.033580
where:
bonds (distance) C4'-P energy: -86.412
bonds (distance) P-C4' energy: -91.133
flat angles C4'-P-C4' energy: -91.877
flat angles P-C4'-P energy: -60.988
tors. eta vs tors. theta energy: -120.623
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: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -980.201998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.201998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.201998 (E_RNA)
where:
Base-Base interactions energy: -582.727
where: short stacking energy: -339.457
Base-Backbone interact. energy: 1.452
local terms energy: -398.927408
where:
bonds (distance) C4'-P energy: -80.356
bonds (distance) P-C4' energy: -82.385
flat angles C4'-P-C4' energy: -91.560
flat angles P-C4'-P energy: -56.289
tors. eta vs tors. theta energy: -88.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -797.780548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.780548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.780548 (E_RNA)
where:
Base-Base interactions energy: -421.701
where: short stacking energy: -269.483
Base-Backbone interact. energy: -0.254
local terms energy: -375.825608
where:
bonds (distance) C4'-P energy: -85.772
bonds (distance) P-C4' energy: -83.847
flat angles C4'-P-C4' energy: -86.858
flat angles P-C4'-P energy: -49.636
tors. eta vs tors. theta energy: -69.712
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: 10
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -730.103357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.103357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.103357 (E_RNA)
where:
Base-Base interactions energy: -388.574
where: short stacking energy: -231.236
Base-Backbone interact. energy: 4.076
local terms energy: -345.605085
where:
bonds (distance) C4'-P energy: -87.790
bonds (distance) P-C4' energy: -89.004
flat angles C4'-P-C4' energy: -83.656
flat angles P-C4'-P energy: -46.485
tors. eta vs tors. theta energy: -38.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -489.060051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.060051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.060051 (E_RNA)
where:
Base-Base interactions energy: -203.072
where: short stacking energy: -176.511
Base-Backbone interact. energy: 0.121
local terms energy: -286.108789
where:
bonds (distance) C4'-P energy: -73.277
bonds (distance) P-C4' energy: -92.527
flat angles C4'-P-C4' energy: -68.287
flat angles P-C4'-P energy: -44.603
tors. eta vs tors. theta energy: -7.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -461.518557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.518557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.518557 (E_RNA)
where:
Base-Base interactions energy: -173.301
where: short stacking energy: -148.748
Base-Backbone interact. energy: -1.118
local terms energy: -287.099389
where:
bonds (distance) C4'-P energy: -78.064
bonds (distance) P-C4' energy: -86.783
flat angles C4'-P-C4' energy: -71.659
flat angles P-C4'-P energy: -47.629
tors. eta vs tors. theta energy: -2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -410.191125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.191125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.191125 (E_RNA)
where:
Base-Base interactions energy: -132.378
where: short stacking energy: -127.331
Base-Backbone interact. energy: -0.130
local terms energy: -277.683312
where:
bonds (distance) C4'-P energy: -81.215
bonds (distance) P-C4' energy: -84.909
flat angles C4'-P-C4' energy: -62.773
flat angles P-C4'-P energy: -33.956
tors. eta vs tors. theta energy: -14.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -409.808520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.808520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.808520 (E_RNA)
where:
Base-Base interactions energy: -141.471
where: short stacking energy: -124.731
Base-Backbone interact. energy: 4.124
local terms energy: -272.461253
where:
bonds (distance) C4'-P energy: -69.751
bonds (distance) P-C4' energy: -78.272
flat angles C4'-P-C4' energy: -78.743
flat angles P-C4'-P energy: -47.184
tors. eta vs tors. theta energy: 1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -341.308248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.308248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.308248 (E_RNA)
where:
Base-Base interactions energy: -114.047
where: short stacking energy: -102.314
Base-Backbone interact. energy: 0.758
local terms energy: -228.019109
where:
bonds (distance) C4'-P energy: -64.775
bonds (distance) P-C4' energy: -85.351
flat angles C4'-P-C4' energy: -66.379
flat angles P-C4'-P energy: -23.697
tors. eta vs tors. theta energy: 12.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1255.819430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.819430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.819430 (E_RNA)
where:
Base-Base interactions energy: -758.673
where: short stacking energy: -473.722
Base-Backbone interact. energy: -1.218
local terms energy: -495.927969
where:
bonds (distance) C4'-P energy: -88.511
bonds (distance) P-C4' energy: -87.297
flat angles C4'-P-C4' energy: -109.877
flat angles P-C4'-P energy: -62.079
tors. eta vs tors. theta energy: -148.165
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: 6
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1166.414799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.414799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.414799 (E_RNA)
where:
Base-Base interactions energy: -705.086
where: short stacking energy: -403.264
Base-Backbone interact. energy: -2.022
local terms energy: -459.307043
where:
bonds (distance) C4'-P energy: -84.349
bonds (distance) P-C4' energy: -98.450
flat angles C4'-P-C4' energy: -96.142
flat angles P-C4'-P energy: -67.938
tors. eta vs tors. theta energy: -112.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -983.590740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.590740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.590740 (E_RNA)
where:
Base-Base interactions energy: -551.236
where: short stacking energy: -312.021
Base-Backbone interact. energy: -0.932
local terms energy: -431.423327
where:
bonds (distance) C4'-P energy: -85.615
bonds (distance) P-C4' energy: -95.859
flat angles C4'-P-C4' energy: -96.663
flat angles P-C4'-P energy: -59.273
tors. eta vs tors. theta energy: -94.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -820.389591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.389591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.389591 (E_RNA)
where:
Base-Base interactions energy: -437.385
where: short stacking energy: -268.156
Base-Backbone interact. energy: 0.194
local terms energy: -383.198787
where:
bonds (distance) C4'-P energy: -88.193
bonds (distance) P-C4' energy: -90.410
flat angles C4'-P-C4' energy: -80.300
flat angles P-C4'-P energy: -56.213
tors. eta vs tors. theta energy: -68.083
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: 10
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -690.921122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.921122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.921122 (E_RNA)
where:
Base-Base interactions energy: -354.007
where: short stacking energy: -246.331
Base-Backbone interact. energy: -1.186
local terms energy: -335.728572
where:
bonds (distance) C4'-P energy: -83.426
bonds (distance) P-C4' energy: -84.948
flat angles C4'-P-C4' energy: -70.825
flat angles P-C4'-P energy: -49.155
tors. eta vs tors. theta energy: -47.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -472.521279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.521279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.521279 (E_RNA)
where:
Base-Base interactions energy: -157.556
where: short stacking energy: -131.570
Base-Backbone interact. energy: -2.125
local terms energy: -312.840102
where:
bonds (distance) C4'-P energy: -92.171
bonds (distance) P-C4' energy: -86.115
flat angles C4'-P-C4' energy: -77.899
flat angles P-C4'-P energy: -42.065
tors. eta vs tors. theta energy: -14.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -453.543657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.543657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.543657 (E_RNA)
where:
Base-Base interactions energy: -151.822
where: short stacking energy: -115.113
Base-Backbone interact. energy: 0.991
local terms energy: -302.713096
where:
bonds (distance) C4'-P energy: -87.453
bonds (distance) P-C4' energy: -90.984
flat angles C4'-P-C4' energy: -83.982
flat angles P-C4'-P energy: -44.548
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: 9
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -408.179788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.179788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.179788 (E_RNA)
where:
Base-Base interactions energy: -148.008
where: short stacking energy: -139.224
Base-Backbone interact. energy: -0.122
local terms energy: -260.049040
where:
bonds (distance) C4'-P energy: -63.410
bonds (distance) P-C4' energy: -82.440
flat angles C4'-P-C4' energy: -71.415
flat angles P-C4'-P energy: -37.641
tors. eta vs tors. theta energy: -5.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -376.230250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.230250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.230250 (E_RNA)
where:
Base-Base interactions energy: -114.029
where: short stacking energy: -95.247
Base-Backbone interact. energy: 0.617
local terms energy: -262.818692
where:
bonds (distance) C4'-P energy: -82.041
bonds (distance) P-C4' energy: -86.675
flat angles C4'-P-C4' energy: -75.568
flat angles P-C4'-P energy: -32.036
tors. eta vs tors. theta energy: 13.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -361.037052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.037052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.037052 (E_RNA)
where:
Base-Base interactions energy: -96.247
where: short stacking energy: -91.387
Base-Backbone interact. energy: -0.306
local terms energy: -264.483993
where:
bonds (distance) C4'-P energy: -90.307
bonds (distance) P-C4' energy: -87.276
flat angles C4'-P-C4' energy: -64.723
flat angles P-C4'-P energy: -38.730
tors. eta vs tors. theta energy: 16.552
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: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1226.800481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.800481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.800481 (E_RNA)
where:
Base-Base interactions energy: -715.434
where: short stacking energy: -446.298
Base-Backbone interact. energy: 0.141
local terms energy: -511.506997
where:
bonds (distance) C4'-P energy: -96.534
bonds (distance) P-C4' energy: -103.377
flat angles C4'-P-C4' energy: -99.092
flat angles P-C4'-P energy: -78.188
tors. eta vs tors. theta energy: -134.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1168.752599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.752599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.752599 (E_RNA)
where:
Base-Base interactions energy: -695.282
where: short stacking energy: -411.044
Base-Backbone interact. energy: -1.067
local terms energy: -472.403409
where:
bonds (distance) C4'-P energy: -83.648
bonds (distance) P-C4' energy: -97.738
flat angles C4'-P-C4' energy: -98.824
flat angles P-C4'-P energy: -66.908
tors. eta vs tors. theta energy: -125.286
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: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -936.940838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.940838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.940838 (E_RNA)
where:
Base-Base interactions energy: -524.895
where: short stacking energy: -314.058
Base-Backbone interact. energy: -1.529
local terms energy: -410.517519
where:
bonds (distance) C4'-P energy: -88.185
bonds (distance) P-C4' energy: -94.828
flat angles C4'-P-C4' energy: -103.670
flat angles P-C4'-P energy: -44.483
tors. eta vs tors. theta energy: -79.351
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: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -835.197972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.197972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.197972 (E_RNA)
where:
Base-Base interactions energy: -430.776
where: short stacking energy: -266.102
Base-Backbone interact. energy: -2.682
local terms energy: -401.739353
where:
bonds (distance) C4'-P energy: -85.971
bonds (distance) P-C4' energy: -89.356
flat angles C4'-P-C4' energy: -93.582
flat angles P-C4'-P energy: -67.401
tors. eta vs tors. theta energy: -65.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -698.086775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.086775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.086775 (E_RNA)
where:
Base-Base interactions energy: -322.600
where: short stacking energy: -229.787
Base-Backbone interact. energy: 0.507
local terms energy: -375.994354
where:
bonds (distance) C4'-P energy: -73.884
bonds (distance) P-C4' energy: -95.993
flat angles C4'-P-C4' energy: -91.060
flat angles P-C4'-P energy: -61.377
tors. eta vs tors. theta energy: -53.680
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: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -448.589617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.589617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.589617 (E_RNA)
where:
Base-Base interactions energy: -152.005
where: short stacking energy: -129.528
Base-Backbone interact. energy: -1.207
local terms energy: -295.377822
where:
bonds (distance) C4'-P energy: -92.572
bonds (distance) P-C4' energy: -90.238
flat angles C4'-P-C4' energy: -72.424
flat angles P-C4'-P energy: -36.932
tors. eta vs tors. theta energy: -3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -475.718655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.718655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.718655 (E_RNA)
where:
Base-Base interactions energy: -199.427
where: short stacking energy: -162.767
Base-Backbone interact. energy: -0.155
local terms energy: -276.136227
where:
bonds (distance) C4'-P energy: -95.173
bonds (distance) P-C4' energy: -65.710
flat angles C4'-P-C4' energy: -76.105
flat angles P-C4'-P energy: -34.259
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: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -442.889488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.889488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.889488 (E_RNA)
where:
Base-Base interactions energy: -157.737
where: short stacking energy: -128.660
Base-Backbone interact. energy: -1.329
local terms energy: -283.823475
where:
bonds (distance) C4'-P energy: -69.712
bonds (distance) P-C4' energy: -77.860
flat angles C4'-P-C4' energy: -85.276
flat angles P-C4'-P energy: -46.103
tors. eta vs tors. theta energy: -4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -384.313519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.313519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.313519 (E_RNA)
where:
Base-Base interactions energy: -120.102
where: short stacking energy: -121.826
Base-Backbone interact. energy: 0.525
local terms energy: -264.736392
where:
bonds (distance) C4'-P energy: -81.612
bonds (distance) P-C4' energy: -72.096
flat angles C4'-P-C4' energy: -78.000
flat angles P-C4'-P energy: -45.360
tors. eta vs tors. theta energy: 12.331
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: 1
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -350.963959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.963959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.963959 (E_RNA)
where:
Base-Base interactions energy: -110.684
where: short stacking energy: -106.318
Base-Backbone interact. energy: 3.465
local terms energy: -243.744745
where:
bonds (distance) C4'-P energy: -78.041
bonds (distance) P-C4' energy: -77.415
flat angles C4'-P-C4' energy: -49.092
flat angles P-C4'-P energy: -38.909
tors. eta vs tors. theta energy: -0.289
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: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1232.348573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.348573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.348573 (E_RNA)
where:
Base-Base interactions energy: -726.650
where: short stacking energy: -456.693
Base-Backbone interact. energy: -0.648
local terms energy: -505.050730
where:
bonds (distance) C4'-P energy: -95.704
bonds (distance) P-C4' energy: -96.000
flat angles C4'-P-C4' energy: -103.548
flat angles P-C4'-P energy: -64.516
tors. eta vs tors. theta energy: -145.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1179.316785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.316785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.316785 (E_RNA)
where:
Base-Base interactions energy: -695.671
where: short stacking energy: -402.188
Base-Backbone interact. energy: -2.638
local terms energy: -481.008364
where:
bonds (distance) C4'-P energy: -90.846
bonds (distance) P-C4' energy: -98.347
flat angles C4'-P-C4' energy: -103.729
flat angles P-C4'-P energy: -71.351
tors. eta vs tors. theta energy: -116.735
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: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -951.974209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.974209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.974209 (E_RNA)
where:
Base-Base interactions energy: -516.164
where: short stacking energy: -308.247
Base-Backbone interact. energy: -1.119
local terms energy: -434.690530
where:
bonds (distance) C4'-P energy: -90.685
bonds (distance) P-C4' energy: -96.908
flat angles C4'-P-C4' energy: -91.670
flat angles P-C4'-P energy: -67.657
tors. eta vs tors. theta energy: -87.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -859.474684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.474684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.474684 (E_RNA)
where:
Base-Base interactions energy: -463.726
where: short stacking energy: -286.634
Base-Backbone interact. energy: 1.164
local terms energy: -396.912544
where:
bonds (distance) C4'-P energy: -90.835
bonds (distance) P-C4' energy: -91.333
flat angles C4'-P-C4' energy: -79.853
flat angles P-C4'-P energy: -50.291
tors. eta vs tors. theta energy: -84.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -686.406651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.406651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.406651 (E_RNA)
where:
Base-Base interactions energy: -336.430
where: short stacking energy: -232.333
Base-Backbone interact. energy: -0.308
local terms energy: -349.668538
where:
bonds (distance) C4'-P energy: -75.273
bonds (distance) P-C4' energy: -89.379
flat angles C4'-P-C4' energy: -87.440
flat angles P-C4'-P energy: -58.499
tors. eta vs tors. theta energy: -39.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -501.431388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.431388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.431388 (E_RNA)
where:
Base-Base interactions energy: -192.681
where: short stacking energy: -171.010
Base-Backbone interact. energy: -2.534
local terms energy: -306.216724
where:
bonds (distance) C4'-P energy: -76.244
bonds (distance) P-C4' energy: -83.368
flat angles C4'-P-C4' energy: -77.492
flat angles P-C4'-P energy: -41.972
tors. eta vs tors. theta energy: -27.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -440.911250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.911250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.911250 (E_RNA)
where:
Base-Base interactions energy: -160.508
where: short stacking energy: -133.803
Base-Backbone interact. energy: 0.094
local terms energy: -280.497374
where:
bonds (distance) C4'-P energy: -80.363
bonds (distance) P-C4' energy: -90.567
flat angles C4'-P-C4' energy: -66.502
flat angles P-C4'-P energy: -48.763
tors. eta vs tors. theta energy: 5.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -437.292710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.292710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.292710 (E_RNA)
where:
Base-Base interactions energy: -154.303
where: short stacking energy: -133.085
Base-Backbone interact. energy: -0.944
local terms energy: -282.046135
where:
bonds (distance) C4'-P energy: -78.359
bonds (distance) P-C4' energy: -86.181
flat angles C4'-P-C4' energy: -65.026
flat angles P-C4'-P energy: -48.282
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: 9, replica: 3
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -407.406595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.406595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.406595 (E_RNA)
where:
Base-Base interactions energy: -133.751
where: short stacking energy: -113.790
Base-Backbone interact. energy: 0.198
local terms energy: -273.854430
where:
bonds (distance) C4'-P energy: -72.412
bonds (distance) P-C4' energy: -78.071
flat angles C4'-P-C4' energy: -77.504
flat angles P-C4'-P energy: -44.849
tors. eta vs tors. theta energy: -1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -349.591176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.591176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.591176 (E_RNA)
where:
Base-Base interactions energy: -100.283
where: short stacking energy: -85.153
Base-Backbone interact. energy: -0.233
local terms energy: -249.074896
where:
bonds (distance) C4'-P energy: -77.262
bonds (distance) P-C4' energy: -84.568
flat angles C4'-P-C4' energy: -63.854
flat angles P-C4'-P energy: -38.795
tors. eta vs tors. theta energy: 15.404
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: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1219.262338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.262338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.262338 (E_RNA)
where:
Base-Base interactions energy: -723.082
where: short stacking energy: -447.387
Base-Backbone interact. energy: -0.711
local terms energy: -495.469378
where:
bonds (distance) C4'-P energy: -89.578
bonds (distance) P-C4' energy: -92.706
flat angles C4'-P-C4' energy: -102.133
flat angles P-C4'-P energy: -72.068
tors. eta vs tors. theta energy: -138.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1189.265584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.265584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.265584 (E_RNA)
where:
Base-Base interactions energy: -716.906
where: short stacking energy: -436.956
Base-Backbone interact. energy: 1.577
local terms energy: -473.936524
where:
bonds (distance) C4'-P energy: -90.046
bonds (distance) P-C4' energy: -94.531
flat angles C4'-P-C4' energy: -94.222
flat angles P-C4'-P energy: -60.893
tors. eta vs tors. theta energy: -134.245
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: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -988.294866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.294866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.294866 (E_RNA)
where:
Base-Base interactions energy: -545.370
where: short stacking energy: -345.580
Base-Backbone interact. energy: 1.988
local terms energy: -444.913203
where:
bonds (distance) C4'-P energy: -98.313
bonds (distance) P-C4' energy: -89.390
flat angles C4'-P-C4' energy: -98.464
flat angles P-C4'-P energy: -57.252
tors. eta vs tors. theta energy: -101.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -876.367566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.367566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.367566 (E_RNA)
where:
Base-Base interactions energy: -469.651
where: short stacking energy: -283.374
Base-Backbone interact. energy: -1.108
local terms energy: -405.609241
where:
bonds (distance) C4'-P energy: -87.390
bonds (distance) P-C4' energy: -93.759
flat angles C4'-P-C4' energy: -97.772
flat angles P-C4'-P energy: -63.597
tors. eta vs tors. theta energy: -63.092
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: 5, replica: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -652.342824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.342824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.342824 (E_RNA)
where:
Base-Base interactions energy: -320.347
where: short stacking energy: -204.894
Base-Backbone interact. energy: 0.326
local terms energy: -332.321862
where:
bonds (distance) C4'-P energy: -87.391
bonds (distance) P-C4' energy: -87.306
flat angles C4'-P-C4' energy: -65.687
flat angles P-C4'-P energy: -55.949
tors. eta vs tors. theta energy: -35.989
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: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -479.036567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.036567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.036567 (E_RNA)
where:
Base-Base interactions energy: -177.426
where: short stacking energy: -160.299
Base-Backbone interact. energy: -1.658
local terms energy: -299.953001
where:
bonds (distance) C4'-P energy: -81.383
bonds (distance) P-C4' energy: -83.395
flat angles C4'-P-C4' energy: -57.562
flat angles P-C4'-P energy: -62.700
tors. eta vs tors. theta energy: -14.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -490.605535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.605535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.605535 (E_RNA)
where:
Base-Base interactions energy: -157.201
where: short stacking energy: -124.423
Base-Backbone interact. energy: -0.493
local terms energy: -332.912145
where:
bonds (distance) C4'-P energy: -80.772
bonds (distance) P-C4' energy: -89.472
flat angles C4'-P-C4' energy: -90.115
flat angles P-C4'-P energy: -49.032
tors. eta vs tors. theta energy: -23.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -411.609430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.609430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.609430 (E_RNA)
where:
Base-Base interactions energy: -147.241
where: short stacking energy: -123.450
Base-Backbone interact. energy: 0.686
local terms energy: -265.054138
where:
bonds (distance) C4'-P energy: -75.310
bonds (distance) P-C4' energy: -76.411
flat angles C4'-P-C4' energy: -62.973
flat angles P-C4'-P energy: -53.014
tors. eta vs tors. theta energy: 2.653
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: 1
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -388.334331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.334331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.334331 (E_RNA)
where:
Base-Base interactions energy: -138.078
where: short stacking energy: -114.155
Base-Backbone interact. energy: 0.408
local terms energy: -250.664799
where:
bonds (distance) C4'-P energy: -62.038
bonds (distance) P-C4' energy: -74.857
flat angles C4'-P-C4' energy: -61.196
flat angles P-C4'-P energy: -55.067
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: 3
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -331.813134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.813134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.813134 (E_RNA)
where:
Base-Base interactions energy: -92.061
where: short stacking energy: -85.639
Base-Backbone interact. energy: 0.080
local terms energy: -239.832496
where:
bonds (distance) C4'-P energy: -87.626
bonds (distance) P-C4' energy: -90.329
flat angles C4'-P-C4' energy: -42.738
flat angles P-C4'-P energy: -36.041
tors. eta vs tors. theta energy: 16.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1236.253625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.253625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.253625 (E_RNA)
where:
Base-Base interactions energy: -723.668
where: short stacking energy: -448.159
Base-Backbone interact. energy: -1.164
local terms energy: -511.421589
where:
bonds (distance) C4'-P energy: -94.476
bonds (distance) P-C4' energy: -97.250
flat angles C4'-P-C4' energy: -109.085
flat angles P-C4'-P energy: -70.001
tors. eta vs tors. theta energy: -140.609
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: 6
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1139.196722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.196722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.196722 (E_RNA)
where:
Base-Base interactions energy: -661.033
where: short stacking energy: -382.459
Base-Backbone interact. energy: 0.233
local terms energy: -478.396339
where:
bonds (distance) C4'-P energy: -107.225
bonds (distance) P-C4' energy: -81.257
flat angles C4'-P-C4' energy: -104.349
flat angles P-C4'-P energy: -66.977
tors. eta vs tors. theta energy: -118.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -957.856952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.856952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.856952 (E_RNA)
where:
Base-Base interactions energy: -543.259
where: short stacking energy: -332.676
Base-Backbone interact. energy: 0.051
local terms energy: -414.649165
where:
bonds (distance) C4'-P energy: -87.313
bonds (distance) P-C4' energy: -91.131
flat angles C4'-P-C4' energy: -91.308
flat angles P-C4'-P energy: -49.113
tors. eta vs tors. theta energy: -95.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -886.252899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.252899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.252899 (E_RNA)
where:
Base-Base interactions energy: -498.165
where: short stacking energy: -303.011
Base-Backbone interact. energy: -0.108
local terms energy: -387.980216
where:
bonds (distance) C4'-P energy: -88.734
bonds (distance) P-C4' energy: -86.123
flat angles C4'-P-C4' energy: -76.570
flat angles P-C4'-P energy: -59.222
tors. eta vs tors. theta energy: -77.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -691.287983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.287983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.287983 (E_RNA)
where:
Base-Base interactions energy: -350.241
where: short stacking energy: -227.146
Base-Backbone interact. energy: 2.778
local terms energy: -343.825519
where:
bonds (distance) C4'-P energy: -67.947
bonds (distance) P-C4' energy: -90.118
flat angles C4'-P-C4' energy: -89.451
flat angles P-C4'-P energy: -59.107
tors. eta vs tors. theta energy: -37.203
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: 279
Temperature: 1.150000
Total energy: -494.893790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.893790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.893790 (E_RNA)
where:
Base-Base interactions energy: -181.970
where: short stacking energy: -166.743
Base-Backbone interact. energy: -1.775
local terms energy: -311.148198
where:
bonds (distance) C4'-P energy: -75.595
bonds (distance) P-C4' energy: -92.167
flat angles C4'-P-C4' energy: -89.098
flat angles P-C4'-P energy: -45.485
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: 7, replica: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -437.707641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.707641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.707641 (E_RNA)
where:
Base-Base interactions energy: -154.301
where: short stacking energy: -128.534
Base-Backbone interact. energy: -1.246
local terms energy: -282.160220
where:
bonds (distance) C4'-P energy: -67.447
bonds (distance) P-C4' energy: -79.956
flat angles C4'-P-C4' energy: -84.165
flat angles P-C4'-P energy: -42.763
tors. eta vs tors. theta energy: -7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -436.761318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.761318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.761318 (E_RNA)
where:
Base-Base interactions energy: -150.413
where: short stacking energy: -132.644
Base-Backbone interact. energy: 1.244
local terms energy: -287.592886
where:
bonds (distance) C4'-P energy: -73.269
bonds (distance) P-C4' energy: -88.001
flat angles C4'-P-C4' energy: -76.276
flat angles P-C4'-P energy: -32.603
tors. eta vs tors. theta energy: -17.445
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: 9, replica: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -378.473137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.473137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.473137 (E_RNA)
where:
Base-Base interactions energy: -111.579
where: short stacking energy: -102.097
Base-Backbone interact. energy: -1.006
local terms energy: -265.888037
where:
bonds (distance) C4'-P energy: -79.706
bonds (distance) P-C4' energy: -74.397
flat angles C4'-P-C4' energy: -78.008
flat angles P-C4'-P energy: -48.331
tors. eta vs tors. theta energy: 14.555
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: 3
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -357.985907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.985907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.985907 (E_RNA)
where:
Base-Base interactions energy: -102.542
where: short stacking energy: -99.305
Base-Backbone interact. energy: -1.813
local terms energy: -253.631400
where:
bonds (distance) C4'-P energy: -72.472
bonds (distance) P-C4' energy: -87.030
flat angles C4'-P-C4' energy: -62.510
flat angles P-C4'-P energy: -42.348
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: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1245.945237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.945237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.945237 (E_RNA)
where:
Base-Base interactions energy: -738.616
where: short stacking energy: -462.928
Base-Backbone interact. energy: -0.554
local terms energy: -506.776048
where:
bonds (distance) C4'-P energy: -92.873
bonds (distance) P-C4' energy: -105.282
flat angles C4'-P-C4' energy: -108.825
flat angles P-C4'-P energy: -62.544
tors. eta vs tors. theta energy: -137.252
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: 6
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1162.799276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.799276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.799276 (E_RNA)
where:
Base-Base interactions energy: -719.176
where: short stacking energy: -401.776
Base-Backbone interact. energy: -2.193
local terms energy: -441.430319
where:
bonds (distance) C4'-P energy: -91.404
bonds (distance) P-C4' energy: -70.746
flat angles C4'-P-C4' energy: -99.954
flat angles P-C4'-P energy: -61.695
tors. eta vs tors. theta energy: -117.631
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: 4
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -972.396537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.396537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.396537 (E_RNA)
where:
Base-Base interactions energy: -534.377
where: short stacking energy: -348.272
Base-Backbone interact. energy: -1.820
local terms energy: -436.199649
where:
bonds (distance) C4'-P energy: -85.187
bonds (distance) P-C4' energy: -92.234
flat angles C4'-P-C4' energy: -93.901
flat angles P-C4'-P energy: -65.267
tors. eta vs tors. theta energy: -99.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -841.855924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.855924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.855924 (E_RNA)
where:
Base-Base interactions energy: -475.767
where: short stacking energy: -287.027
Base-Backbone interact. energy: 3.569
local terms energy: -369.658773
where:
bonds (distance) C4'-P energy: -77.597
bonds (distance) P-C4' energy: -86.976
flat angles C4'-P-C4' energy: -91.831
flat angles P-C4'-P energy: -59.669
tors. eta vs tors. theta energy: -53.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -689.776002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.776002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.776002 (E_RNA)
where:
Base-Base interactions energy: -335.933
where: short stacking energy: -225.727
Base-Backbone interact. energy: -2.056
local terms energy: -351.786719
where:
bonds (distance) C4'-P energy: -72.632
bonds (distance) P-C4' energy: -83.134
flat angles C4'-P-C4' energy: -81.002
flat angles P-C4'-P energy: -66.521
tors. eta vs tors. theta energy: -48.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -513.253908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.253908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.253908 (E_RNA)
where:
Base-Base interactions energy: -217.766
where: short stacking energy: -153.240
Base-Backbone interact. energy: -1.364
local terms energy: -294.124188
where:
bonds (distance) C4'-P energy: -76.799
bonds (distance) P-C4' energy: -77.466
flat angles C4'-P-C4' energy: -89.154
flat angles P-C4'-P energy: -34.469
tors. eta vs tors. theta energy: -16.236
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: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -445.663666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.663666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.663666 (E_RNA)
where:
Base-Base interactions energy: -161.290
where: short stacking energy: -140.226
Base-Backbone interact. energy: 1.592
local terms energy: -285.966091
where:
bonds (distance) C4'-P energy: -83.851
bonds (distance) P-C4' energy: -88.591
flat angles C4'-P-C4' energy: -80.355
flat angles P-C4'-P energy: -34.583
tors. eta vs tors. theta energy: 1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -428.106921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.106921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.106921 (E_RNA)
where:
Base-Base interactions energy: -151.547
where: short stacking energy: -148.853
Base-Backbone interact. energy: 1.231
local terms energy: -277.791179
where:
bonds (distance) C4'-P energy: -79.715
bonds (distance) P-C4' energy: -95.062
flat angles C4'-P-C4' energy: -60.607
flat angles P-C4'-P energy: -37.412
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -381.002852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.002852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.002852 (E_RNA)
where:
Base-Base interactions energy: -125.633
where: short stacking energy: -104.362
Base-Backbone interact. energy: -1.344
local terms energy: -254.025929
where:
bonds (distance) C4'-P energy: -90.925
bonds (distance) P-C4' energy: -75.738
flat angles C4'-P-C4' energy: -62.676
flat angles P-C4'-P energy: -34.151
tors. eta vs tors. theta energy: 9.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -344.690272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.690272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.690272 (E_RNA)
where:
Base-Base interactions energy: -111.051
where: short stacking energy: -95.111
Base-Backbone interact. energy: 0.086
local terms energy: -233.724831
where:
bonds (distance) C4'-P energy: -74.595
bonds (distance) P-C4' energy: -68.536
flat angles C4'-P-C4' energy: -72.590
flat angles P-C4'-P energy: -50.081
tors. eta vs tors. theta energy: 32.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1257.971863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.971863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.971863 (E_RNA)
where:
Base-Base interactions energy: -750.089
where: short stacking energy: -472.019
Base-Backbone interact. energy: -0.810
local terms energy: -507.072692
where:
bonds (distance) C4'-P energy: -92.945
bonds (distance) P-C4' energy: -88.850
flat angles C4'-P-C4' energy: -108.173
flat angles P-C4'-P energy: -74.085
tors. eta vs tors. theta energy: -143.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1180.985902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.985902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.985902 (E_RNA)
where:
Base-Base interactions energy: -715.246
where: short stacking energy: -406.921
Base-Backbone interact. energy: -0.991
local terms energy: -464.749357
where:
bonds (distance) C4'-P energy: -80.481
bonds (distance) P-C4' energy: -98.139
flat angles C4'-P-C4' energy: -109.910
flat angles P-C4'-P energy: -56.836
tors. eta vs tors. theta energy: -119.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -942.373493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.373493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.373493 (E_RNA)
where:
Base-Base interactions energy: -517.776
where: short stacking energy: -319.018
Base-Backbone interact. energy: -0.775
local terms energy: -423.822916
where:
bonds (distance) C4'-P energy: -98.870
bonds (distance) P-C4' energy: -89.126
flat angles C4'-P-C4' energy: -95.789
flat angles P-C4'-P energy: -58.544
tors. eta vs tors. theta energy: -81.495
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: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -881.814916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.814916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.814916 (E_RNA)
where:
Base-Base interactions energy: -497.163
where: short stacking energy: -288.788
Base-Backbone interact. energy: 0.230
local terms energy: -384.881931
where:
bonds (distance) C4'-P energy: -82.174
bonds (distance) P-C4' energy: -86.054
flat angles C4'-P-C4' energy: -89.302
flat angles P-C4'-P energy: -58.941
tors. eta vs tors. theta energy: -68.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -736.370427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.370427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.370427 (E_RNA)
where:
Base-Base interactions energy: -368.642
where: short stacking energy: -254.593
Base-Backbone interact. energy: 0.168
local terms energy: -367.896205
where:
bonds (distance) C4'-P energy: -78.847
bonds (distance) P-C4' energy: -82.215
flat angles C4'-P-C4' energy: -96.453
flat angles P-C4'-P energy: -54.796
tors. eta vs tors. theta energy: -55.586
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: 281
Temperature: 1.150000
Total energy: -524.644696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.644696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.644696 (E_RNA)
where:
Base-Base interactions energy: -221.722
where: short stacking energy: -178.931
Base-Backbone interact. energy: -1.516
local terms energy: -301.406704
where:
bonds (distance) C4'-P energy: -71.387
bonds (distance) P-C4' energy: -85.969
flat angles C4'-P-C4' energy: -82.309
flat angles P-C4'-P energy: -53.142
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -447.497684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.497684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.497684 (E_RNA)
where:
Base-Base interactions energy: -162.970
where: short stacking energy: -137.030
Base-Backbone interact. energy: -0.708
local terms energy: -283.820117
where:
bonds (distance) C4'-P energy: -85.158
bonds (distance) P-C4' energy: -84.762
flat angles C4'-P-C4' energy: -72.056
flat angles P-C4'-P energy: -41.838
tors. eta vs tors. theta energy: -0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -440.498682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.498682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.498682 (E_RNA)
where:
Base-Base interactions energy: -169.966
where: short stacking energy: -135.769
Base-Backbone interact. energy: 0.402
local terms energy: -270.934550
where:
bonds (distance) C4'-P energy: -65.208
bonds (distance) P-C4' energy: -79.507
flat angles C4'-P-C4' energy: -74.202
flat angles P-C4'-P energy: -41.760
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: 9, replica: 3
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -361.781375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.781375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.781375 (E_RNA)
where:
Base-Base interactions energy: -113.814
where: short stacking energy: -106.733
Base-Backbone interact. energy: -1.305
local terms energy: -246.661993
where:
bonds (distance) C4'-P energy: -68.485
bonds (distance) P-C4' energy: -74.410
flat angles C4'-P-C4' energy: -69.186
flat angles P-C4'-P energy: -41.659
tors. eta vs tors. theta energy: 7.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -360.936527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.936527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.936527 (E_RNA)
where:
Base-Base interactions energy: -104.370
where: short stacking energy: -91.537
Base-Backbone interact. energy: -1.938
local terms energy: -254.628253
where:
bonds (distance) C4'-P energy: -74.973
bonds (distance) P-C4' energy: -79.743
flat angles C4'-P-C4' energy: -64.716
flat angles P-C4'-P energy: -35.991
tors. eta vs tors. theta energy: 0.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1251.408110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.408110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.408110 (E_RNA)
where:
Base-Base interactions energy: -736.154
where: short stacking energy: -453.766
Base-Backbone interact. energy: -0.723
local terms energy: -514.530681
where:
bonds (distance) C4'-P energy: -93.848
bonds (distance) P-C4' energy: -103.465
flat angles C4'-P-C4' energy: -98.274
flat angles P-C4'-P energy: -76.793
tors. eta vs tors. theta energy: -142.152
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: 6
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1131.314584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.314584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.314584 (E_RNA)
where:
Base-Base interactions energy: -696.232
where: short stacking energy: -395.365
Base-Backbone interact. energy: -2.451
local terms energy: -432.631428
where:
bonds (distance) C4'-P energy: -96.644
bonds (distance) P-C4' energy: -76.645
flat angles C4'-P-C4' energy: -96.168
flat angles P-C4'-P energy: -53.188
tors. eta vs tors. theta energy: -109.985
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: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -921.728042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.728042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.728042 (E_RNA)
where:
Base-Base interactions energy: -511.720
where: short stacking energy: -310.620
Base-Backbone interact. energy: 0.106
local terms energy: -410.113747
where:
bonds (distance) C4'-P energy: -88.143
bonds (distance) P-C4' energy: -91.387
flat angles C4'-P-C4' energy: -84.430
flat angles P-C4'-P energy: -54.439
tors. eta vs tors. theta energy: -91.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -972.420968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.420968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.420968 (E_RNA)
where:
Base-Base interactions energy: -538.761
where: short stacking energy: -324.605
Base-Backbone interact. energy: -0.055
local terms energy: -433.604852
where:
bonds (distance) C4'-P energy: -97.696
bonds (distance) P-C4' energy: -90.600
flat angles C4'-P-C4' energy: -98.351
flat angles P-C4'-P energy: -62.956
tors. eta vs tors. theta energy: -84.001
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: 10
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -684.520849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.520849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.520849 (E_RNA)
where:
Base-Base interactions energy: -334.360
where: short stacking energy: -218.844
Base-Backbone interact. energy: -1.129
local terms energy: -349.031518
where:
bonds (distance) C4'-P energy: -79.916
bonds (distance) P-C4' energy: -93.573
flat angles C4'-P-C4' energy: -84.164
flat angles P-C4'-P energy: -51.601
tors. eta vs tors. theta energy: -39.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -524.817876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.817876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.817876 (E_RNA)
where:
Base-Base interactions energy: -238.762
where: short stacking energy: -220.862
Base-Backbone interact. energy: -0.666
local terms energy: -285.389965
where:
bonds (distance) C4'-P energy: -69.540
bonds (distance) P-C4' energy: -77.717
flat angles C4'-P-C4' energy: -74.974
flat angles P-C4'-P energy: -37.466
tors. eta vs tors. theta energy: -25.693
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: 7, replica: 9
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -483.625927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.625927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.625927 (E_RNA)
where:
Base-Base interactions energy: -215.128
where: short stacking energy: -146.367
Base-Backbone interact. energy: -0.444
local terms energy: -268.054429
where:
bonds (distance) C4'-P energy: -70.260
bonds (distance) P-C4' energy: -86.686
flat angles C4'-P-C4' energy: -70.558
flat angles P-C4'-P energy: -49.064
tors. eta vs tors. theta energy: 8.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -394.851188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.851188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.851188 (E_RNA)
where:
Base-Base interactions energy: -130.786
where: short stacking energy: -111.716
Base-Backbone interact. energy: 2.301
local terms energy: -266.365889
where:
bonds (distance) C4'-P energy: -81.667
bonds (distance) P-C4' energy: -83.611
flat angles C4'-P-C4' energy: -63.991
flat angles P-C4'-P energy: -41.341
tors. eta vs tors. theta energy: 4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -368.843187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.843187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.843187 (E_RNA)
where:
Base-Base interactions energy: -106.108
where: short stacking energy: -93.151
Base-Backbone interact. energy: -0.518
local terms energy: -262.216329
where:
bonds (distance) C4'-P energy: -84.637
bonds (distance) P-C4' energy: -93.051
flat angles C4'-P-C4' energy: -55.155
flat angles P-C4'-P energy: -35.577
tors. eta vs tors. theta energy: 6.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -357.275880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.275880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.275880 (E_RNA)
where:
Base-Base interactions energy: -117.023
where: short stacking energy: -115.984
Base-Backbone interact. energy: 1.059
local terms energy: -241.312548
where:
bonds (distance) C4'-P energy: -63.558
bonds (distance) P-C4' energy: -86.214
flat angles C4'-P-C4' energy: -60.530
flat angles P-C4'-P energy: -40.464
tors. eta vs tors. theta energy: 9.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1227.579805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.579805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.579805 (E_RNA)
where:
Base-Base interactions energy: -723.370
where: short stacking energy: -437.585
Base-Backbone interact. energy: -0.359
local terms energy: -503.851098
where:
bonds (distance) C4'-P energy: -91.255
bonds (distance) P-C4' energy: -99.529
flat angles C4'-P-C4' energy: -105.952
flat angles P-C4'-P energy: -65.801
tors. eta vs tors. theta energy: -141.314
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: 6
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1127.849262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.849262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.849262 (E_RNA)
where:
Base-Base interactions energy: -678.589
where: short stacking energy: -393.311
Base-Backbone interact. energy: 1.399
local terms energy: -450.658790
where:
bonds (distance) C4'-P energy: -85.779
bonds (distance) P-C4' energy: -100.502
flat angles C4'-P-C4' energy: -98.254
flat angles P-C4'-P energy: -59.697
tors. eta vs tors. theta energy: -106.427
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: 283
Temperature: 1.000000
Total energy: -945.058661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.058661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.058661 (E_RNA)
where:
Base-Base interactions energy: -527.183
where: short stacking energy: -326.113
Base-Backbone interact. energy: -1.603
local terms energy: -416.272410
where:
bonds (distance) C4'-P energy: -85.311
bonds (distance) P-C4' energy: -89.222
flat angles C4'-P-C4' energy: -91.853
flat angles P-C4'-P energy: -59.427
tors. eta vs tors. theta energy: -90.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -847.909396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.909396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.909396 (E_RNA)
where:
Base-Base interactions energy: -478.819
where: short stacking energy: -270.580
Base-Backbone interact. energy: -0.880
local terms energy: -368.209923
where:
bonds (distance) C4'-P energy: -84.241
bonds (distance) P-C4' energy: -88.249
flat angles C4'-P-C4' energy: -81.529
flat angles P-C4'-P energy: -42.481
tors. eta vs tors. theta energy: -71.711
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: 5, replica: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -650.152567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.152567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.152567 (E_RNA)
where:
Base-Base interactions energy: -318.905
where: short stacking energy: -221.110
Base-Backbone interact. energy: -1.757
local terms energy: -329.490603
where:
bonds (distance) C4'-P energy: -62.727
bonds (distance) P-C4' energy: -88.512
flat angles C4'-P-C4' energy: -83.963
flat angles P-C4'-P energy: -51.485
tors. eta vs tors. theta energy: -42.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -482.915435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.915435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.915435 (E_RNA)
where:
Base-Base interactions energy: -149.772
where: short stacking energy: -135.211
Base-Backbone interact. energy: -1.140
local terms energy: -332.003577
where:
bonds (distance) C4'-P energy: -84.132
bonds (distance) P-C4' energy: -102.419
flat angles C4'-P-C4' energy: -86.843
flat angles P-C4'-P energy: -52.464
tors. eta vs tors. theta energy: -6.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -457.939081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.939081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.939081 (E_RNA)
where:
Base-Base interactions energy: -175.217
where: short stacking energy: -135.629
Base-Backbone interact. energy: 1.717
local terms energy: -284.438395
where:
bonds (distance) C4'-P energy: -82.267
bonds (distance) P-C4' energy: -86.374
flat angles C4'-P-C4' energy: -79.617
flat angles P-C4'-P energy: -39.200
tors. eta vs tors. theta energy: 3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -405.837064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.837064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.837064 (E_RNA)
where:
Base-Base interactions energy: -151.888
where: short stacking energy: -128.781
Base-Backbone interact. energy: 0.734
local terms energy: -254.683318
where:
bonds (distance) C4'-P energy: -83.790
bonds (distance) P-C4' energy: -77.052
flat angles C4'-P-C4' energy: -60.041
flat angles P-C4'-P energy: -33.116
tors. eta vs tors. theta energy: -0.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -394.060437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.060437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.060437 (E_RNA)
where:
Base-Base interactions energy: -123.081
where: short stacking energy: -113.327
Base-Backbone interact. energy: 0.952
local terms energy: -271.931645
where:
bonds (distance) C4'-P energy: -77.724
bonds (distance) P-C4' energy: -83.638
flat angles C4'-P-C4' energy: -76.068
flat angles P-C4'-P energy: -37.680
tors. eta vs tors. theta energy: 3.179
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: 3
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -358.825136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.825136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.825136 (E_RNA)
where:
Base-Base interactions energy: -109.217
where: short stacking energy: -93.663
Base-Backbone interact. energy: 0.484
local terms energy: -250.091819
where:
bonds (distance) C4'-P energy: -73.159
bonds (distance) P-C4' energy: -74.134
flat angles C4'-P-C4' energy: -77.851
flat angles P-C4'-P energy: -37.492
tors. eta vs tors. theta energy: 12.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1237.436391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.436391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.436391 (E_RNA)
where:
Base-Base interactions energy: -727.455
where: short stacking energy: -451.309
Base-Backbone interact. energy: -1.859
local terms energy: -508.122735
where:
bonds (distance) C4'-P energy: -94.691
bonds (distance) P-C4' energy: -94.151
flat angles C4'-P-C4' energy: -111.303
flat angles P-C4'-P energy: -68.847
tors. eta vs tors. theta energy: -139.131
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: 6
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1128.994049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.994049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.994049 (E_RNA)
where:
Base-Base interactions energy: -665.914
where: short stacking energy: -402.957
Base-Backbone interact. energy: -0.175
local terms energy: -462.905113
where:
bonds (distance) C4'-P energy: -91.883
bonds (distance) P-C4' energy: -96.870
flat angles C4'-P-C4' energy: -107.134
flat angles P-C4'-P energy: -53.402
tors. eta vs tors. theta energy: -113.615
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: 3, replica: 7
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -951.232634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.232634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.232634 (E_RNA)
where:
Base-Base interactions energy: -531.590
where: short stacking energy: -309.016
Base-Backbone interact. energy: -1.804
local terms energy: -417.838045
where:
bonds (distance) C4'-P energy: -73.991
bonds (distance) P-C4' energy: -99.801
flat angles C4'-P-C4' energy: -100.169
flat angles P-C4'-P energy: -55.522
tors. eta vs tors. theta energy: -88.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -895.302771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.302771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.302771 (E_RNA)
where:
Base-Base interactions energy: -489.207
where: short stacking energy: -303.448
Base-Backbone interact. energy: -1.632
local terms energy: -404.463838
where:
bonds (distance) C4'-P energy: -84.610
bonds (distance) P-C4' energy: -94.189
flat angles C4'-P-C4' energy: -90.094
flat angles P-C4'-P energy: -60.801
tors. eta vs tors. theta energy: -74.769
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: 5, replica: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -676.306308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.306308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.306308 (E_RNA)
where:
Base-Base interactions energy: -329.503
where: short stacking energy: -225.901
Base-Backbone interact. energy: -0.686
local terms energy: -346.117298
where:
bonds (distance) C4'-P energy: -76.386
bonds (distance) P-C4' energy: -85.711
flat angles C4'-P-C4' energy: -84.729
flat angles P-C4'-P energy: -53.369
tors. eta vs tors. theta energy: -45.922
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: 284
Temperature: 1.150000
Total energy: -481.712917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.712917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.712917 (E_RNA)
where:
Base-Base interactions energy: -172.626
where: short stacking energy: -168.799
Base-Backbone interact. energy: -0.316
local terms energy: -308.771643
where:
bonds (distance) C4'-P energy: -88.110
bonds (distance) P-C4' energy: -72.923
flat angles C4'-P-C4' energy: -82.111
flat angles P-C4'-P energy: -48.451
tors. eta vs tors. theta energy: -17.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -429.166336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.166336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.166336 (E_RNA)
where:
Base-Base interactions energy: -143.768
where: short stacking energy: -133.065
Base-Backbone interact. energy: -1.522
local terms energy: -283.876754
where:
bonds (distance) C4'-P energy: -73.356
bonds (distance) P-C4' energy: -83.210
flat angles C4'-P-C4' energy: -78.874
flat angles P-C4'-P energy: -53.803
tors. eta vs tors. theta energy: 5.366
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: 8, replica: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -406.533817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.533817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.533817 (E_RNA)
where:
Base-Base interactions energy: -149.196
where: short stacking energy: -134.547
Base-Backbone interact. energy: -0.945
local terms energy: -256.393129
where:
bonds (distance) C4'-P energy: -66.875
bonds (distance) P-C4' energy: -70.148
flat angles C4'-P-C4' energy: -75.511
flat angles P-C4'-P energy: -35.461
tors. eta vs tors. theta energy: -8.398
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: 1
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -399.680470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.680470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.680470 (E_RNA)
where:
Base-Base interactions energy: -151.771
where: short stacking energy: -94.020
Base-Backbone interact. energy: 4.631
local terms energy: -252.540974
where:
bonds (distance) C4'-P energy: -93.555
bonds (distance) P-C4' energy: -87.609
flat angles C4'-P-C4' energy: -60.619
flat angles P-C4'-P energy: -16.573
tors. eta vs tors. theta energy: 5.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -343.390924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.390924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.390924 (E_RNA)
where:
Base-Base interactions energy: -114.349
where: short stacking energy: -105.611
Base-Backbone interact. energy: 0.865
local terms energy: -229.906383
where:
bonds (distance) C4'-P energy: -76.593
bonds (distance) P-C4' energy: -59.425
flat angles C4'-P-C4' energy: -60.353
flat angles P-C4'-P energy: -37.195
tors. eta vs tors. theta energy: 3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1249.826267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.826267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.826267 (E_RNA)
where:
Base-Base interactions energy: -746.499
where: short stacking energy: -464.808
Base-Backbone interact. energy: 1.164
local terms energy: -504.491621
where:
bonds (distance) C4'-P energy: -86.783
bonds (distance) P-C4' energy: -95.473
flat angles C4'-P-C4' energy: -110.297
flat angles P-C4'-P energy: -67.174
tors. eta vs tors. theta energy: -144.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1137.018846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.018846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.018846 (E_RNA)
where:
Base-Base interactions energy: -650.891
where: short stacking energy: -386.105
Base-Backbone interact. energy: -0.563
local terms energy: -485.565406
where:
bonds (distance) C4'-P energy: -102.696
bonds (distance) P-C4' energy: -81.637
flat angles C4'-P-C4' energy: -109.106
flat angles P-C4'-P energy: -66.020
tors. eta vs tors. theta energy: -126.106
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: 7
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -982.658524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.658524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.658524 (E_RNA)
where:
Base-Base interactions energy: -579.519
where: short stacking energy: -340.175
Base-Backbone interact. energy: -1.194
local terms energy: -401.945419
where:
bonds (distance) C4'-P energy: -73.825
bonds (distance) P-C4' energy: -83.957
flat angles C4'-P-C4' energy: -94.257
flat angles P-C4'-P energy: -62.140
tors. eta vs tors. theta energy: -87.766
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: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -850.709155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.709155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.709155 (E_RNA)
where:
Base-Base interactions energy: -466.462
where: short stacking energy: -270.802
Base-Backbone interact. energy: -1.378
local terms energy: -382.869295
where:
bonds (distance) C4'-P energy: -93.159
bonds (distance) P-C4' energy: -77.967
flat angles C4'-P-C4' energy: -84.196
flat angles P-C4'-P energy: -58.688
tors. eta vs tors. theta energy: -68.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -642.868621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.868621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.868621 (E_RNA)
where:
Base-Base interactions energy: -299.528
where: short stacking energy: -196.940
Base-Backbone interact. energy: 0.528
local terms energy: -343.868602
where:
bonds (distance) C4'-P energy: -97.450
bonds (distance) P-C4' energy: -92.909
flat angles C4'-P-C4' energy: -76.847
flat angles P-C4'-P energy: -45.694
tors. eta vs tors. theta energy: -30.968
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: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -529.005976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.005976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.005976 (E_RNA)
where:
Base-Base interactions energy: -205.997
where: short stacking energy: -191.373
Base-Backbone interact. energy: 0.309
local terms energy: -323.318310
where:
bonds (distance) C4'-P energy: -79.930
bonds (distance) P-C4' energy: -85.512
flat angles C4'-P-C4' energy: -84.691
flat angles P-C4'-P energy: -47.217
tors. eta vs tors. theta energy: -25.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -423.829198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.829198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.829198 (E_RNA)
where:
Base-Base interactions energy: -137.026
where: short stacking energy: -121.858
Base-Backbone interact. energy: 1.157
local terms energy: -287.959819
where:
bonds (distance) C4'-P energy: -84.345
bonds (distance) P-C4' energy: -90.133
flat angles C4'-P-C4' energy: -63.015
flat angles P-C4'-P energy: -37.561
tors. eta vs tors. theta energy: -12.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -426.031743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.031743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.031743 (E_RNA)
where:
Base-Base interactions energy: -174.045
where: short stacking energy: -137.829
Base-Backbone interact. energy: 1.997
local terms energy: -253.983456
where:
bonds (distance) C4'-P energy: -82.851
bonds (distance) P-C4' energy: -61.395
flat angles C4'-P-C4' energy: -62.355
flat angles P-C4'-P energy: -42.160
tors. eta vs tors. theta energy: -5.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -386.323078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.323078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.323078 (E_RNA)
where:
Base-Base interactions energy: -111.001
where: short stacking energy: -110.833
Base-Backbone interact. energy: 2.880
local terms energy: -278.202433
where:
bonds (distance) C4'-P energy: -74.810
bonds (distance) P-C4' energy: -92.803
flat angles C4'-P-C4' energy: -71.604
flat angles P-C4'-P energy: -42.793
tors. eta vs tors. theta energy: 3.807
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: 3
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -356.219418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.219418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.219418 (E_RNA)
where:
Base-Base interactions energy: -104.884
where: short stacking energy: -97.302
Base-Backbone interact. energy: 13.295
local terms energy: -264.631178
where:
bonds (distance) C4'-P energy: -76.262
bonds (distance) P-C4' energy: -81.082
flat angles C4'-P-C4' energy: -59.806
flat angles P-C4'-P energy: -52.823
tors. eta vs tors. theta energy: 5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1221.157684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.157684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.157684 (E_RNA)
where:
Base-Base interactions energy: -727.710
where: short stacking energy: -450.555
Base-Backbone interact. energy: -1.416
local terms energy: -492.032397
where:
bonds (distance) C4'-P energy: -91.054
bonds (distance) P-C4' energy: -95.610
flat angles C4'-P-C4' energy: -105.329
flat angles P-C4'-P energy: -64.139
tors. eta vs tors. theta energy: -135.901
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: 6
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1123.012433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.012433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.012433 (E_RNA)
where:
Base-Base interactions energy: -679.721
where: short stacking energy: -406.972
Base-Backbone interact. energy: -1.775
local terms energy: -441.517032
where:
bonds (distance) C4'-P energy: -78.542
bonds (distance) P-C4' energy: -88.799
flat angles C4'-P-C4' energy: -98.297
flat angles P-C4'-P energy: -53.255
tors. eta vs tors. theta energy: -122.623
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: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1015.356349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.356349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.356349 (E_RNA)
where:
Base-Base interactions energy: -583.251
where: short stacking energy: -343.385
Base-Backbone interact. energy: -0.309
local terms energy: -431.796419
where:
bonds (distance) C4'-P energy: -90.511
bonds (distance) P-C4' energy: -95.024
flat angles C4'-P-C4' energy: -98.379
flat angles P-C4'-P energy: -60.634
tors. eta vs tors. theta energy: -87.249
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: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -867.913637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.913637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.913637 (E_RNA)
where:
Base-Base interactions energy: -474.713
where: short stacking energy: -294.221
Base-Backbone interact. energy: 2.308
local terms energy: -395.509428
where:
bonds (distance) C4'-P energy: -92.109
bonds (distance) P-C4' energy: -83.301
flat angles C4'-P-C4' energy: -89.854
flat angles P-C4'-P energy: -59.185
tors. eta vs tors. theta energy: -71.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -678.026432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.026432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.026432 (E_RNA)
where:
Base-Base interactions energy: -363.830
where: short stacking energy: -234.195
Base-Backbone interact. energy: 3.409
local terms energy: -317.604933
where:
bonds (distance) C4'-P energy: -77.661
bonds (distance) P-C4' energy: -81.891
flat angles C4'-P-C4' energy: -88.182
flat angles P-C4'-P energy: -49.803
tors. eta vs tors. theta energy: -20.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -490.583695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.583695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.583695 (E_RNA)
where:
Base-Base interactions energy: -175.011
where: short stacking energy: -136.301
Base-Backbone interact. energy: -0.439
local terms energy: -315.133525
where:
bonds (distance) C4'-P energy: -89.117
bonds (distance) P-C4' energy: -88.842
flat angles C4'-P-C4' energy: -66.491
flat angles P-C4'-P energy: -50.004
tors. eta vs tors. theta energy: -20.680
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: 9
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -445.600829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.600829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.600829 (E_RNA)
where:
Base-Base interactions energy: -166.803
where: short stacking energy: -141.852
Base-Backbone interact. energy: 2.707
local terms energy: -281.505121
where:
bonds (distance) C4'-P energy: -82.935
bonds (distance) P-C4' energy: -92.868
flat angles C4'-P-C4' energy: -62.720
flat angles P-C4'-P energy: -38.419
tors. eta vs tors. theta energy: -4.563
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: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -403.317569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.317569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.317569 (E_RNA)
where:
Base-Base interactions energy: -141.273
where: short stacking energy: -120.681
Base-Backbone interact. energy: -1.675
local terms energy: -260.369158
where:
bonds (distance) C4'-P energy: -74.998
bonds (distance) P-C4' energy: -78.399
flat angles C4'-P-C4' energy: -73.439
flat angles P-C4'-P energy: -34.997
tors. eta vs tors. theta energy: 1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -380.930858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.930858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.930858 (E_RNA)
where:
Base-Base interactions energy: -111.760
where: short stacking energy: -104.943
Base-Backbone interact. energy: -1.970
local terms energy: -267.200936
where:
bonds (distance) C4'-P energy: -75.703
bonds (distance) P-C4' energy: -82.670
flat angles C4'-P-C4' energy: -69.638
flat angles P-C4'-P energy: -40.904
tors. eta vs tors. theta energy: 1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -348.462946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.462946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.462946 (E_RNA)
where:
Base-Base interactions energy: -99.917
where: short stacking energy: -98.725
Base-Backbone interact. energy: -0.647
local terms energy: -247.898695
where:
bonds (distance) C4'-P energy: -65.159
bonds (distance) P-C4' energy: -61.343
flat angles C4'-P-C4' energy: -82.610
flat angles P-C4'-P energy: -39.781
tors. eta vs tors. theta energy: 0.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1226.208715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.208715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.208715 (E_RNA)
where:
Base-Base interactions energy: -731.105
where: short stacking energy: -435.278
Base-Backbone interact. energy: 0.364
local terms energy: -495.467909
where:
bonds (distance) C4'-P energy: -89.552
bonds (distance) P-C4' energy: -86.026
flat angles C4'-P-C4' energy: -112.118
flat angles P-C4'-P energy: -71.602
tors. eta vs tors. theta energy: -136.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1152.751209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.751209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.751209 (E_RNA)
where:
Base-Base interactions energy: -696.728
where: short stacking energy: -381.342
Base-Backbone interact. energy: -0.671
local terms energy: -455.351731
where:
bonds (distance) C4'-P energy: -81.741
bonds (distance) P-C4' energy: -98.435
flat angles C4'-P-C4' energy: -95.665
flat angles P-C4'-P energy: -68.102
tors. eta vs tors. theta energy: -111.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -992.116371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.116371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.116371 (E_RNA)
where:
Base-Base interactions energy: -577.589
where: short stacking energy: -336.901
Base-Backbone interact. energy: 1.040
local terms energy: -415.568203
where:
bonds (distance) C4'-P energy: -88.287
bonds (distance) P-C4' energy: -92.972
flat angles C4'-P-C4' energy: -89.857
flat angles P-C4'-P energy: -62.610
tors. eta vs tors. theta energy: -81.842
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: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -871.394395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.394395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.394395 (E_RNA)
where:
Base-Base interactions energy: -481.195
where: short stacking energy: -304.174
Base-Backbone interact. energy: -1.560
local terms energy: -388.639659
where:
bonds (distance) C4'-P energy: -80.423
bonds (distance) P-C4' energy: -89.859
flat angles C4'-P-C4' energy: -82.131
flat angles P-C4'-P energy: -65.333
tors. eta vs tors. theta energy: -70.894
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: 10
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -688.636143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.636143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.636143 (E_RNA)
where:
Base-Base interactions energy: -321.969
where: short stacking energy: -209.260
Base-Backbone interact. energy: -1.223
local terms energy: -365.443895
where:
bonds (distance) C4'-P energy: -87.859
bonds (distance) P-C4' energy: -86.637
flat angles C4'-P-C4' energy: -82.456
flat angles P-C4'-P energy: -51.516
tors. eta vs tors. theta energy: -56.976
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: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -491.914635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.914635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.914635 (E_RNA)
where:
Base-Base interactions energy: -160.973
where: short stacking energy: -150.542
Base-Backbone interact. energy: 0.963
local terms energy: -331.904243
where:
bonds (distance) C4'-P energy: -97.029
bonds (distance) P-C4' energy: -84.483
flat angles C4'-P-C4' energy: -88.754
flat angles P-C4'-P energy: -51.468
tors. eta vs tors. theta energy: -10.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -423.888454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.888454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.888454 (E_RNA)
where:
Base-Base interactions energy: -120.930
where: short stacking energy: -101.527
Base-Backbone interact. energy: -1.062
local terms energy: -301.896381
where:
bonds (distance) C4'-P energy: -86.796
bonds (distance) P-C4' energy: -88.229
flat angles C4'-P-C4' energy: -76.618
flat angles P-C4'-P energy: -47.454
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -424.930357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.930357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.930357 (E_RNA)
where:
Base-Base interactions energy: -160.471
where: short stacking energy: -144.165
Base-Backbone interact. energy: 0.184
local terms energy: -264.643603
where:
bonds (distance) C4'-P energy: -75.838
bonds (distance) P-C4' energy: -84.331
flat angles C4'-P-C4' energy: -71.507
flat angles P-C4'-P energy: -34.382
tors. eta vs tors. theta energy: 1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -387.079612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.079612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.079612 (E_RNA)
where:
Base-Base interactions energy: -108.334
where: short stacking energy: -106.730
Base-Backbone interact. energy: -1.201
local terms energy: -277.544258
where:
bonds (distance) C4'-P energy: -71.375
bonds (distance) P-C4' energy: -66.156
flat angles C4'-P-C4' energy: -88.330
flat angles P-C4'-P energy: -49.342
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: 10, replica: 3
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -363.010698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.010698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.010698 (E_RNA)
where:
Base-Base interactions energy: -120.625
where: short stacking energy: -111.230
Base-Backbone interact. energy: 3.051
local terms energy: -245.436892
where:
bonds (distance) C4'-P energy: -83.333
bonds (distance) P-C4' energy: -81.705
flat angles C4'-P-C4' energy: -42.817
flat angles P-C4'-P energy: -37.246
tors. eta vs tors. theta energy: -0.336
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: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1234.012039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.012039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.012039 (E_RNA)
where:
Base-Base interactions energy: -721.924
where: short stacking energy: -459.242
Base-Backbone interact. energy: -0.681
local terms energy: -511.407155
where:
bonds (distance) C4'-P energy: -91.126
bonds (distance) P-C4' energy: -92.908
flat angles C4'-P-C4' energy: -103.340
flat angles P-C4'-P energy: -76.382
tors. eta vs tors. theta energy: -147.651
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: 6
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1119.368497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.368497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.368497 (E_RNA)
where:
Base-Base interactions energy: -648.598
where: short stacking energy: -366.811
Base-Backbone interact. energy: -1.195
local terms energy: -469.575291
where:
bonds (distance) C4'-P energy: -98.753
bonds (distance) P-C4' energy: -86.595
flat angles C4'-P-C4' energy: -101.928
flat angles P-C4'-P energy: -68.644
tors. eta vs tors. theta energy: -113.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1000.910358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.910358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.910358 (E_RNA)
where:
Base-Base interactions energy: -558.271
where: short stacking energy: -347.369
Base-Backbone interact. energy: -1.276
local terms energy: -441.362717
where:
bonds (distance) C4'-P energy: -83.168
bonds (distance) P-C4' energy: -88.785
flat angles C4'-P-C4' energy: -104.199
flat angles P-C4'-P energy: -61.810
tors. eta vs tors. theta energy: -103.401
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: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -868.686389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.686389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.686389 (E_RNA)
where:
Base-Base interactions energy: -487.727
where: short stacking energy: -299.271
Base-Backbone interact. energy: 1.310
local terms energy: -382.269218
where:
bonds (distance) C4'-P energy: -85.122
bonds (distance) P-C4' energy: -79.270
flat angles C4'-P-C4' energy: -92.241
flat angles P-C4'-P energy: -60.572
tors. eta vs tors. theta energy: -65.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -665.690162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.690162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.690162 (E_RNA)
where:
Base-Base interactions energy: -341.100
where: short stacking energy: -201.814
Base-Backbone interact. energy: -2.138
local terms energy: -322.451894
where:
bonds (distance) C4'-P energy: -64.099
bonds (distance) P-C4' energy: -82.671
flat angles C4'-P-C4' energy: -91.321
flat angles P-C4'-P energy: -51.736
tors. eta vs tors. theta energy: -32.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -464.706408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.706408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.706408 (E_RNA)
where:
Base-Base interactions energy: -162.811
where: short stacking energy: -152.043
Base-Backbone interact. energy: 0.846
local terms energy: -302.741272
where:
bonds (distance) C4'-P energy: -80.214
bonds (distance) P-C4' energy: -94.902
flat angles C4'-P-C4' energy: -69.848
flat angles P-C4'-P energy: -56.369
tors. eta vs tors. theta energy: -1.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -440.269800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.269800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.269800 (E_RNA)
where:
Base-Base interactions energy: -156.677
where: short stacking energy: -148.271
Base-Backbone interact. energy: -1.903
local terms energy: -281.689919
where:
bonds (distance) C4'-P energy: -76.716
bonds (distance) P-C4' energy: -90.625
flat angles C4'-P-C4' energy: -67.751
flat angles P-C4'-P energy: -50.032
tors. eta vs tors. theta energy: 3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -435.309052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.309052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.309052 (E_RNA)
where:
Base-Base interactions energy: -153.849
where: short stacking energy: -132.863
Base-Backbone interact. energy: -0.544
local terms energy: -280.916083
where:
bonds (distance) C4'-P energy: -64.056
bonds (distance) P-C4' energy: -90.538
flat angles C4'-P-C4' energy: -75.138
flat angles P-C4'-P energy: -50.597
tors. eta vs tors. theta energy: -0.587
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: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -393.133241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.133241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.133241 (E_RNA)
where:
Base-Base interactions energy: -129.050
where: short stacking energy: -124.726
Base-Backbone interact. energy: 0.229
local terms energy: -264.312087
where:
bonds (distance) C4'-P energy: -90.075
bonds (distance) P-C4' energy: -87.700
flat angles C4'-P-C4' energy: -63.838
flat angles P-C4'-P energy: -31.657
tors. eta vs tors. theta energy: 8.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -355.418351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.418351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.418351 (E_RNA)
where:
Base-Base interactions energy: -128.351
where: short stacking energy: -113.726
Base-Backbone interact. energy: 13.933
local terms energy: -240.999926
where:
bonds (distance) C4'-P energy: -74.100
bonds (distance) P-C4' energy: -75.854
flat angles C4'-P-C4' energy: -70.097
flat angles P-C4'-P energy: -39.040
tors. eta vs tors. theta energy: 18.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1255.527882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.527882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.527882 (E_RNA)
where:
Base-Base interactions energy: -729.529
where: short stacking energy: -440.310
Base-Backbone interact. energy: -0.724
local terms energy: -525.275064
where:
bonds (distance) C4'-P energy: -97.708
bonds (distance) P-C4' energy: -102.564
flat angles C4'-P-C4' energy: -103.012
flat angles P-C4'-P energy: -76.671
tors. eta vs tors. theta energy: -145.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1109.532383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.532383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.532383 (E_RNA)
where:
Base-Base interactions energy: -661.685
where: short stacking energy: -353.781
Base-Backbone interact. energy: -3.885
local terms energy: -443.962976
where:
bonds (distance) C4'-P energy: -88.963
bonds (distance) P-C4' energy: -104.469
flat angles C4'-P-C4' energy: -95.962
flat angles P-C4'-P energy: -51.921
tors. eta vs tors. theta energy: -102.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -967.141326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.141326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.141326 (E_RNA)
where:
Base-Base interactions energy: -543.455
where: short stacking energy: -336.179
Base-Backbone interact. energy: -0.698
local terms energy: -422.989032
where:
bonds (distance) C4'-P energy: -93.094
bonds (distance) P-C4' energy: -85.164
flat angles C4'-P-C4' energy: -92.677
flat angles P-C4'-P energy: -59.688
tors. eta vs tors. theta energy: -92.366
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: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -866.522376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.522376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.522376 (E_RNA)
where:
Base-Base interactions energy: -453.663
where: short stacking energy: -264.449
Base-Backbone interact. energy: 0.282
local terms energy: -413.140951
where:
bonds (distance) C4'-P energy: -101.358
bonds (distance) P-C4' energy: -88.433
flat angles C4'-P-C4' energy: -88.740
flat angles P-C4'-P energy: -68.476
tors. eta vs tors. theta energy: -66.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -703.747959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.747959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.747959 (E_RNA)
where:
Base-Base interactions energy: -344.496
where: short stacking energy: -229.184
Base-Backbone interact. energy: 2.331
local terms energy: -361.582929
where:
bonds (distance) C4'-P energy: -83.928
bonds (distance) P-C4' energy: -91.686
flat angles C4'-P-C4' energy: -89.628
flat angles P-C4'-P energy: -45.684
tors. eta vs tors. theta energy: -50.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -547.121700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.121700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.121700 (E_RNA)
where:
Base-Base interactions energy: -209.540
where: short stacking energy: -161.141
Base-Backbone interact. energy: -0.363
local terms energy: -337.219169
where:
bonds (distance) C4'-P energy: -87.213
bonds (distance) P-C4' energy: -100.144
flat angles C4'-P-C4' energy: -77.012
flat angles P-C4'-P energy: -50.693
tors. eta vs tors. theta energy: -22.157
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: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -433.019285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.019285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.019285 (E_RNA)
where:
Base-Base interactions energy: -170.082
where: short stacking energy: -146.005
Base-Backbone interact. energy: 1.159
local terms energy: -264.096764
where:
bonds (distance) C4'-P energy: -70.366
bonds (distance) P-C4' energy: -87.195
flat angles C4'-P-C4' energy: -68.647
flat angles P-C4'-P energy: -42.174
tors. eta vs tors. theta energy: 4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -441.316353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.316353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.316353 (E_RNA)
where:
Base-Base interactions energy: -160.475
where: short stacking energy: -160.344
Base-Backbone interact. energy: 1.136
local terms energy: -281.976767
where:
bonds (distance) C4'-P energy: -74.835
bonds (distance) P-C4' energy: -83.746
flat angles C4'-P-C4' energy: -67.516
flat angles P-C4'-P energy: -52.873
tors. eta vs tors. theta energy: -3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -376.625395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.625395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.625395 (E_RNA)
where:
Base-Base interactions energy: -133.016
where: short stacking energy: -114.890
Base-Backbone interact. energy: 2.451
local terms energy: -246.059535
where:
bonds (distance) C4'-P energy: -81.043
bonds (distance) P-C4' energy: -79.913
flat angles C4'-P-C4' energy: -58.838
flat angles P-C4'-P energy: -39.154
tors. eta vs tors. theta energy: 12.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -352.726211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.726211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.726211 (E_RNA)
where:
Base-Base interactions energy: -104.794
where: short stacking energy: -75.109
Base-Backbone interact. energy: 1.864
local terms energy: -249.795302
where:
bonds (distance) C4'-P energy: -69.270
bonds (distance) P-C4' energy: -92.046
flat angles C4'-P-C4' energy: -74.652
flat angles P-C4'-P energy: -32.616
tors. eta vs tors. theta energy: 18.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1277.730006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.730006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.730006 (E_RNA)
where:
Base-Base interactions energy: -749.550
where: short stacking energy: -467.456
Base-Backbone interact. energy: -1.583
local terms energy: -526.597145
where:
bonds (distance) C4'-P energy: -90.755
bonds (distance) P-C4' energy: -97.246
flat angles C4'-P-C4' energy: -112.892
flat angles P-C4'-P energy: -75.362
tors. eta vs tors. theta energy: -150.342
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: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1102.409284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.409284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.409284 (E_RNA)
where:
Base-Base interactions energy: -637.579
where: short stacking energy: -370.380
Base-Backbone interact. energy: -3.405
local terms energy: -461.426098
where:
bonds (distance) C4'-P energy: -99.383
bonds (distance) P-C4' energy: -93.766
flat angles C4'-P-C4' energy: -93.352
flat angles P-C4'-P energy: -65.270
tors. eta vs tors. theta energy: -109.655
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: 7
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1019.462768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.462768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.462768 (E_RNA)
where:
Base-Base interactions energy: -594.988
where: short stacking energy: -356.112
Base-Backbone interact. energy: -1.183
local terms energy: -423.292430
where:
bonds (distance) C4'-P energy: -75.124
bonds (distance) P-C4' energy: -90.995
flat angles C4'-P-C4' energy: -90.630
flat angles P-C4'-P energy: -67.256
tors. eta vs tors. theta energy: -99.287
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: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -815.370147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.370147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.370147 (E_RNA)
where:
Base-Base interactions energy: -421.687
where: short stacking energy: -267.399
Base-Backbone interact. energy: -1.426
local terms energy: -392.257157
where:
bonds (distance) C4'-P energy: -81.086
bonds (distance) P-C4' energy: -86.710
flat angles C4'-P-C4' energy: -94.094
flat angles P-C4'-P energy: -60.580
tors. eta vs tors. theta energy: -69.787
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: 5, replica: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -681.383448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.383448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.383448 (E_RNA)
where:
Base-Base interactions energy: -343.585
where: short stacking energy: -232.391
Base-Backbone interact. energy: -1.768
local terms energy: -336.029943
where:
bonds (distance) C4'-P energy: -87.177
bonds (distance) P-C4' energy: -83.036
flat angles C4'-P-C4' energy: -73.719
flat angles P-C4'-P energy: -49.317
tors. eta vs tors. theta energy: -42.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -492.931216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.931216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.931216 (E_RNA)
where:
Base-Base interactions energy: -185.330
where: short stacking energy: -179.550
Base-Backbone interact. energy: -1.321
local terms energy: -306.280004
where:
bonds (distance) C4'-P energy: -76.473
bonds (distance) P-C4' energy: -81.901
flat angles C4'-P-C4' energy: -72.105
flat angles P-C4'-P energy: -50.818
tors. eta vs tors. theta energy: -24.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -471.526605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.526605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.526605 (E_RNA)
where:
Base-Base interactions energy: -170.521
where: short stacking energy: -154.139
Base-Backbone interact. energy: 3.588
local terms energy: -304.593530
where:
bonds (distance) C4'-P energy: -82.647
bonds (distance) P-C4' energy: -82.671
flat angles C4'-P-C4' energy: -67.777
flat angles P-C4'-P energy: -38.203
tors. eta vs tors. theta energy: -33.296
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: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -437.135343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.135343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.135343 (E_RNA)
where:
Base-Base interactions energy: -165.972
where: short stacking energy: -139.171
Base-Backbone interact. energy: 0.072
local terms energy: -271.234917
where:
bonds (distance) C4'-P energy: -61.085
bonds (distance) P-C4' energy: -85.691
flat angles C4'-P-C4' energy: -74.659
flat angles P-C4'-P energy: -47.026
tors. eta vs tors. theta energy: -2.774
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: 3
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -385.442743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.442743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.442743 (E_RNA)
where:
Base-Base interactions energy: -137.477
where: short stacking energy: -117.288
Base-Backbone interact. energy: 0.290
local terms energy: -248.255478
where:
bonds (distance) C4'-P energy: -84.306
bonds (distance) P-C4' energy: -77.280
flat angles C4'-P-C4' energy: -60.091
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -346.625779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.625779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.625779 (E_RNA)
where:
Base-Base interactions energy: -90.145
where: short stacking energy: -82.658
Base-Backbone interact. energy: -2.298
local terms energy: -254.183410
where:
bonds (distance) C4'-P energy: -73.894
bonds (distance) P-C4' energy: -77.051
flat angles C4'-P-C4' energy: -70.689
flat angles P-C4'-P energy: -44.801
tors. eta vs tors. theta energy: 12.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1252.024888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.024888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.024888 (E_RNA)
where:
Base-Base interactions energy: -757.677
where: short stacking energy: -457.690
Base-Backbone interact. energy: -0.578
local terms energy: -493.769312
where:
bonds (distance) C4'-P energy: -88.762
bonds (distance) P-C4' energy: -95.232
flat angles C4'-P-C4' energy: -99.922
flat angles P-C4'-P energy: -66.005
tors. eta vs tors. theta energy: -143.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1099.249653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.249653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.249653 (E_RNA)
where:
Base-Base interactions energy: -653.856
where: short stacking energy: -386.908
Base-Backbone interact. energy: -1.521
local terms energy: -443.872703
where:
bonds (distance) C4'-P energy: -86.297
bonds (distance) P-C4' energy: -102.686
flat angles C4'-P-C4' energy: -94.527
flat angles P-C4'-P energy: -60.461
tors. eta vs tors. theta energy: -99.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -983.015959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.015959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.015959 (E_RNA)
where:
Base-Base interactions energy: -569.300
where: short stacking energy: -323.623
Base-Backbone interact. energy: -1.973
local terms energy: -411.743302
where:
bonds (distance) C4'-P energy: -97.228
bonds (distance) P-C4' energy: -84.013
flat angles C4'-P-C4' energy: -75.429
flat angles P-C4'-P energy: -67.445
tors. eta vs tors. theta energy: -87.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -844.986745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.986745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.986745 (E_RNA)
where:
Base-Base interactions energy: -462.029
where: short stacking energy: -289.584
Base-Backbone interact. energy: -0.770
local terms energy: -382.187538
where:
bonds (distance) C4'-P energy: -80.947
bonds (distance) P-C4' energy: -86.648
flat angles C4'-P-C4' energy: -85.887
flat angles P-C4'-P energy: -68.805
tors. eta vs tors. theta energy: -59.901
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: 5, replica: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -708.361708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.361708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.361708 (E_RNA)
where:
Base-Base interactions energy: -366.596
where: short stacking energy: -228.056
Base-Backbone interact. energy: -0.460
local terms energy: -341.305863
where:
bonds (distance) C4'-P energy: -79.341
bonds (distance) P-C4' energy: -91.620
flat angles C4'-P-C4' energy: -73.334
flat angles P-C4'-P energy: -51.588
tors. eta vs tors. theta energy: -45.424
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: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -520.748080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.748080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.748080 (E_RNA)
where:
Base-Base interactions energy: -197.737
where: short stacking energy: -178.467
Base-Backbone interact. energy: -1.815
local terms energy: -321.195873
where:
bonds (distance) C4'-P energy: -85.522
bonds (distance) P-C4' energy: -96.125
flat angles C4'-P-C4' energy: -64.796
flat angles P-C4'-P energy: -49.668
tors. eta vs tors. theta energy: -25.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -464.152102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.152102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.152102 (E_RNA)
where:
Base-Base interactions energy: -185.068
where: short stacking energy: -151.770
Base-Backbone interact. energy: 2.542
local terms energy: -281.626065
where:
bonds (distance) C4'-P energy: -74.083
bonds (distance) P-C4' energy: -75.976
flat angles C4'-P-C4' energy: -69.460
flat angles P-C4'-P energy: -45.226
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -425.683170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.683170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.683170 (E_RNA)
where:
Base-Base interactions energy: -124.016
where: short stacking energy: -108.257
Base-Backbone interact. energy: -0.818
local terms energy: -300.849225
where:
bonds (distance) C4'-P energy: -72.216
bonds (distance) P-C4' energy: -96.551
flat angles C4'-P-C4' energy: -74.713
flat angles P-C4'-P energy: -53.558
tors. eta vs tors. theta energy: -3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -385.107039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.107039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.107039 (E_RNA)
where:
Base-Base interactions energy: -116.239
where: short stacking energy: -99.770
Base-Backbone interact. energy: -1.232
local terms energy: -267.636089
where:
bonds (distance) C4'-P energy: -81.768
bonds (distance) P-C4' energy: -88.444
flat angles C4'-P-C4' energy: -82.672
flat angles P-C4'-P energy: -27.998
tors. eta vs tors. theta energy: 13.246
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: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -350.344043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.344043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.344043 (E_RNA)
where:
Base-Base interactions energy: -114.198
where: short stacking energy: -96.613
Base-Backbone interact. energy: 0.820
local terms energy: -236.966008
where:
bonds (distance) C4'-P energy: -80.830
bonds (distance) P-C4' energy: -85.985
flat angles C4'-P-C4' energy: -62.463
flat angles P-C4'-P energy: -20.712
tors. eta vs tors. theta energy: 13.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1331.189367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.189367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.189367 (E_RNA)
where:
Base-Base interactions energy: -801.287
where: short stacking energy: -484.880
Base-Backbone interact. energy: -1.706
local terms energy: -528.196337
where:
bonds (distance) C4'-P energy: -93.085
bonds (distance) P-C4' energy: -96.013
flat angles C4'-P-C4' energy: -108.572
flat angles P-C4'-P energy: -73.049
tors. eta vs tors. theta energy: -157.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1082.469868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.469868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.469868 (E_RNA)
where:
Base-Base interactions energy: -618.768
where: short stacking energy: -374.598
Base-Backbone interact. energy: -4.295
local terms energy: -459.406976
where:
bonds (distance) C4'-P energy: -87.599
bonds (distance) P-C4' energy: -103.693
flat angles C4'-P-C4' energy: -93.577
flat angles P-C4'-P energy: -67.589
tors. eta vs tors. theta energy: -106.948
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: 3, replica: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -972.201786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.201786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.201786 (E_RNA)
where:
Base-Base interactions energy: -561.160
where: short stacking energy: -342.563
Base-Backbone interact. energy: -2.880
local terms energy: -408.161686
where:
bonds (distance) C4'-P energy: -86.153
bonds (distance) P-C4' energy: -93.573
flat angles C4'-P-C4' energy: -92.943
flat angles P-C4'-P energy: -52.652
tors. eta vs tors. theta energy: -82.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -823.444228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.444228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.444228 (E_RNA)
where:
Base-Base interactions energy: -459.017
where: short stacking energy: -269.159
Base-Backbone interact. energy: -0.572
local terms energy: -363.855916
where:
bonds (distance) C4'-P energy: -75.569
bonds (distance) P-C4' energy: -86.975
flat angles C4'-P-C4' energy: -78.888
flat angles P-C4'-P energy: -59.352
tors. eta vs tors. theta energy: -63.072
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: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -727.252394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.252394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.252394 (E_RNA)
where:
Base-Base interactions energy: -392.201
where: short stacking energy: -251.156
Base-Backbone interact. energy: 5.083
local terms energy: -340.134326
where:
bonds (distance) C4'-P energy: -87.363
bonds (distance) P-C4' energy: -79.112
flat angles C4'-P-C4' energy: -70.321
flat angles P-C4'-P energy: -51.406
tors. eta vs tors. theta energy: -51.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -483.296210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.296210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.296210 (E_RNA)
where:
Base-Base interactions energy: -168.791
where: short stacking energy: -165.281
Base-Backbone interact. energy: 0.761
local terms energy: -315.266531
where:
bonds (distance) C4'-P energy: -81.352
bonds (distance) P-C4' energy: -85.711
flat angles C4'-P-C4' energy: -76.488
flat angles P-C4'-P energy: -51.089
tors. eta vs tors. theta energy: -20.627
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: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -472.264844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.264844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.264844 (E_RNA)
where:
Base-Base interactions energy: -176.043
where: short stacking energy: -149.425
Base-Backbone interact. energy: 2.077
local terms energy: -298.298244
where:
bonds (distance) C4'-P energy: -81.991
bonds (distance) P-C4' energy: -78.252
flat angles C4'-P-C4' energy: -81.832
flat angles P-C4'-P energy: -48.209
tors. eta vs tors. theta energy: -8.014
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: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -395.239517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.239517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.239517 (E_RNA)
where:
Base-Base interactions energy: -138.627
where: short stacking energy: -136.238
Base-Backbone interact. energy: 0.762
local terms energy: -257.374534
where:
bonds (distance) C4'-P energy: -69.260
bonds (distance) P-C4' energy: -72.017
flat angles C4'-P-C4' energy: -67.656
flat angles P-C4'-P energy: -46.209
tors. eta vs tors. theta energy: -2.233
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: 292
Temperature: 1.300000
Total energy: -386.207787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.207787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.207787 (E_RNA)
where:
Base-Base interactions energy: -126.473
where: short stacking energy: -106.346
Base-Backbone interact. energy: 1.189
local terms energy: -260.924428
where:
bonds (distance) C4'-P energy: -88.403
bonds (distance) P-C4' energy: -85.222
flat angles C4'-P-C4' energy: -62.410
flat angles P-C4'-P energy: -43.997
tors. eta vs tors. theta energy: 19.108
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: 3
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -348.466138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.466138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.466138 (E_RNA)
where:
Base-Base interactions energy: -91.883
where: short stacking energy: -84.155
Base-Backbone interact. energy: -0.332
local terms energy: -256.251276
where:
bonds (distance) C4'-P energy: -69.893
bonds (distance) P-C4' energy: -82.069
flat angles C4'-P-C4' energy: -70.977
flat angles P-C4'-P energy: -42.070
tors. eta vs tors. theta energy: 8.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1330.582363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.582363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.582363 (E_RNA)
where:
Base-Base interactions energy: -817.808
where: short stacking energy: -498.574
Base-Backbone interact. energy: 1.146
local terms energy: -513.919614
where:
bonds (distance) C4'-P energy: -89.386
bonds (distance) P-C4' energy: -98.205
flat angles C4'-P-C4' energy: -103.991
flat angles P-C4'-P energy: -68.096
tors. eta vs tors. theta energy: -154.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1112.566396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.566396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.566396 (E_RNA)
where:
Base-Base interactions energy: -643.866
where: short stacking energy: -409.274
Base-Backbone interact. energy: -1.320
local terms energy: -467.380154
where:
bonds (distance) C4'-P energy: -93.087
bonds (distance) P-C4' energy: -91.464
flat angles C4'-P-C4' energy: -106.188
flat angles P-C4'-P energy: -55.358
tors. eta vs tors. theta energy: -121.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -963.291779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.291779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.291779 (E_RNA)
where:
Base-Base interactions energy: -574.470
where: short stacking energy: -326.785
Base-Backbone interact. energy: 1.596
local terms energy: -390.417299
where:
bonds (distance) C4'-P energy: -85.426
bonds (distance) P-C4' energy: -69.088
flat angles C4'-P-C4' energy: -99.627
flat angles P-C4'-P energy: -56.329
tors. eta vs tors. theta energy: -79.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -849.253620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.253620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.253620 (E_RNA)
where:
Base-Base interactions energy: -447.464
where: short stacking energy: -296.889
Base-Backbone interact. energy: 0.265
local terms energy: -402.054635
where:
bonds (distance) C4'-P energy: -81.586
bonds (distance) P-C4' energy: -85.223
flat angles C4'-P-C4' energy: -96.064
flat angles P-C4'-P energy: -70.763
tors. eta vs tors. theta energy: -68.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -754.156149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.156149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.156149 (E_RNA)
where:
Base-Base interactions energy: -412.578
where: short stacking energy: -263.154
Base-Backbone interact. energy: -1.104
local terms energy: -340.473590
where:
bonds (distance) C4'-P energy: -86.853
bonds (distance) P-C4' energy: -74.068
flat angles C4'-P-C4' energy: -73.170
flat angles P-C4'-P energy: -46.454
tors. eta vs tors. theta energy: -59.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -520.041067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.041067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.041067 (E_RNA)
where:
Base-Base interactions energy: -186.896
where: short stacking energy: -151.056
Base-Backbone interact. energy: -0.294
local terms energy: -332.851445
where:
bonds (distance) C4'-P energy: -70.737
bonds (distance) P-C4' energy: -96.618
flat angles C4'-P-C4' energy: -78.662
flat angles P-C4'-P energy: -52.555
tors. eta vs tors. theta energy: -34.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -433.431040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.431040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.431040 (E_RNA)
where:
Base-Base interactions energy: -162.491
where: short stacking energy: -133.342
Base-Backbone interact. energy: 3.550
local terms energy: -274.489948
where:
bonds (distance) C4'-P energy: -72.066
bonds (distance) P-C4' energy: -91.763
flat angles C4'-P-C4' energy: -69.301
flat angles P-C4'-P energy: -36.131
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -440.548596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.548596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.548596 (E_RNA)
where:
Base-Base interactions energy: -177.027
where: short stacking energy: -159.186
Base-Backbone interact. energy: -1.664
local terms energy: -261.857765
where:
bonds (distance) C4'-P energy: -89.194
bonds (distance) P-C4' energy: -76.905
flat angles C4'-P-C4' energy: -59.910
flat angles P-C4'-P energy: -27.966
tors. eta vs tors. theta energy: -7.883
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: 293
Temperature: 1.300000
Total energy: -375.237656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.237656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.237656 (E_RNA)
where:
Base-Base interactions energy: -118.021
where: short stacking energy: -113.909
Base-Backbone interact. energy: -1.769
local terms energy: -255.447262
where:
bonds (distance) C4'-P energy: -72.939
bonds (distance) P-C4' energy: -78.700
flat angles C4'-P-C4' energy: -69.060
flat angles P-C4'-P energy: -40.925
tors. eta vs tors. theta energy: 6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -357.730223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.730223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.730223 (E_RNA)
where:
Base-Base interactions energy: -117.516
where: short stacking energy: -109.477
Base-Backbone interact. energy: 4.808
local terms energy: -245.022425
where:
bonds (distance) C4'-P energy: -80.444
bonds (distance) P-C4' energy: -64.918
flat angles C4'-P-C4' energy: -62.401
flat angles P-C4'-P energy: -39.300
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: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1328.699516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.699516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.699516 (E_RNA)
where:
Base-Base interactions energy: -789.035
where: short stacking energy: -486.358
Base-Backbone interact. energy: -0.668
local terms energy: -538.996412
where:
bonds (distance) C4'-P energy: -90.312
bonds (distance) P-C4' energy: -92.114
flat angles C4'-P-C4' energy: -113.326
flat angles P-C4'-P energy: -81.351
tors. eta vs tors. theta energy: -161.894
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: 6
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1086.569517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.569517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.569517 (E_RNA)
where:
Base-Base interactions energy: -617.057
where: short stacking energy: -375.606
Base-Backbone interact. energy: -2.777
local terms energy: -466.735430
where:
bonds (distance) C4'-P energy: -94.879
bonds (distance) P-C4' energy: -93.547
flat angles C4'-P-C4' energy: -98.596
flat angles P-C4'-P energy: -71.062
tors. eta vs tors. theta energy: -108.651
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: 294
Temperature: 1.000000
Total energy: -994.179621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.179621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.179621 (E_RNA)
where:
Base-Base interactions energy: -565.793
where: short stacking energy: -335.511
Base-Backbone interact. energy: -1.732
local terms energy: -426.655286
where:
bonds (distance) C4'-P energy: -93.768
bonds (distance) P-C4' energy: -84.243
flat angles C4'-P-C4' energy: -81.342
flat angles P-C4'-P energy: -72.940
tors. eta vs tors. theta energy: -94.363
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: 4, replica: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -844.169455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.169455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.169455 (E_RNA)
where:
Base-Base interactions energy: -455.782
where: short stacking energy: -282.292
Base-Backbone interact. energy: -1.341
local terms energy: -387.047049
where:
bonds (distance) C4'-P energy: -71.223
bonds (distance) P-C4' energy: -96.610
flat angles C4'-P-C4' energy: -93.997
flat angles P-C4'-P energy: -61.463
tors. eta vs tors. theta energy: -63.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -782.485033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.485033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.485033 (E_RNA)
where:
Base-Base interactions energy: -429.638
where: short stacking energy: -254.500
Base-Backbone interact. energy: 1.421
local terms energy: -354.267985
where:
bonds (distance) C4'-P energy: -85.080
bonds (distance) P-C4' energy: -82.767
flat angles C4'-P-C4' energy: -90.977
flat angles P-C4'-P energy: -42.557
tors. eta vs tors. theta energy: -52.886
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: 6, replica: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -496.856669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.856669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.856669 (E_RNA)
where:
Base-Base interactions energy: -189.238
where: short stacking energy: -141.911
Base-Backbone interact. energy: 1.332
local terms energy: -308.950840
where:
bonds (distance) C4'-P energy: -80.019
bonds (distance) P-C4' energy: -94.303
flat angles C4'-P-C4' energy: -75.948
flat angles P-C4'-P energy: -60.627
tors. eta vs tors. theta energy: 1.946
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: 7, replica: 8
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -436.302910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.302910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.302910 (E_RNA)
where:
Base-Base interactions energy: -160.933
where: short stacking energy: -115.103
Base-Backbone interact. energy: 1.317
local terms energy: -276.686801
where:
bonds (distance) C4'-P energy: -79.011
bonds (distance) P-C4' energy: -81.426
flat angles C4'-P-C4' energy: -80.604
flat angles P-C4'-P energy: -41.658
tors. eta vs tors. theta energy: 6.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -396.796041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.796041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.796041 (E_RNA)
where:
Base-Base interactions energy: -153.092
where: short stacking energy: -122.555
Base-Backbone interact. energy: -1.385
local terms energy: -242.319290
where:
bonds (distance) C4'-P energy: -64.050
bonds (distance) P-C4' energy: -76.658
flat angles C4'-P-C4' energy: -55.751
flat angles P-C4'-P energy: -48.112
tors. eta vs tors. theta energy: 2.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -403.273327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.273327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.273327 (E_RNA)
where:
Base-Base interactions energy: -139.238
where: short stacking energy: -122.456
Base-Backbone interact. energy: -1.751
local terms energy: -262.284146
where:
bonds (distance) C4'-P energy: -75.337
bonds (distance) P-C4' energy: -74.374
flat angles C4'-P-C4' energy: -73.816
flat angles P-C4'-P energy: -38.990
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: 10, replica: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -345.569378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.569378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.569378 (E_RNA)
where:
Base-Base interactions energy: -116.397
where: short stacking energy: -107.623
Base-Backbone interact. energy: 0.827
local terms energy: -229.998964
where:
bonds (distance) C4'-P energy: -64.101
bonds (distance) P-C4' energy: -87.959
flat angles C4'-P-C4' energy: -64.256
flat angles P-C4'-P energy: -37.559
tors. eta vs tors. theta energy: 23.876
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: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1341.784540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.784540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.784540 (E_RNA)
where:
Base-Base interactions energy: -826.633
where: short stacking energy: -513.236
Base-Backbone interact. energy: -0.321
local terms energy: -514.829949
where:
bonds (distance) C4'-P energy: -83.010
bonds (distance) P-C4' energy: -90.380
flat angles C4'-P-C4' energy: -104.429
flat angles P-C4'-P energy: -84.906
tors. eta vs tors. theta energy: -152.104
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: 6
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1096.977131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.977131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.977131 (E_RNA)
where:
Base-Base interactions energy: -630.163
where: short stacking energy: -379.549
Base-Backbone interact. energy: -3.316
local terms energy: -463.498353
where:
bonds (distance) C4'-P energy: -96.770
bonds (distance) P-C4' energy: -90.424
flat angles C4'-P-C4' energy: -93.315
flat angles P-C4'-P energy: -82.202
tors. eta vs tors. theta energy: -100.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -975.491648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.491648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.491648 (E_RNA)
where:
Base-Base interactions energy: -565.596
where: short stacking energy: -344.815
Base-Backbone interact. energy: 3.774
local terms energy: -413.670178
where:
bonds (distance) C4'-P energy: -86.945
bonds (distance) P-C4' energy: -85.055
flat angles C4'-P-C4' energy: -91.370
flat angles P-C4'-P energy: -64.023
tors. eta vs tors. theta energy: -86.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -834.097826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.097826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.097826 (E_RNA)
where:
Base-Base interactions energy: -449.595
where: short stacking energy: -254.928
Base-Backbone interact. energy: -0.388
local terms energy: -384.115088
where:
bonds (distance) C4'-P energy: -84.543
bonds (distance) P-C4' energy: -94.908
flat angles C4'-P-C4' energy: -95.548
flat angles P-C4'-P energy: -46.092
tors. eta vs tors. theta energy: -63.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -749.151968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.151968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.151968 (E_RNA)
where:
Base-Base interactions energy: -396.401
where: short stacking energy: -261.479
Base-Backbone interact. energy: -1.541
local terms energy: -351.210299
where:
bonds (distance) C4'-P energy: -81.162
bonds (distance) P-C4' energy: -98.925
flat angles C4'-P-C4' energy: -78.625
flat angles P-C4'-P energy: -38.741
tors. eta vs tors. theta energy: -53.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -512.478623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.478623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.478623 (E_RNA)
where:
Base-Base interactions energy: -210.746
where: short stacking energy: -183.543
Base-Backbone interact. energy: 0.377
local terms energy: -302.109381
where:
bonds (distance) C4'-P energy: -83.432
bonds (distance) P-C4' energy: -82.393
flat angles C4'-P-C4' energy: -70.827
flat angles P-C4'-P energy: -41.383
tors. eta vs tors. theta energy: -24.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -433.536125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.536125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.536125 (E_RNA)
where:
Base-Base interactions energy: -145.424
where: short stacking energy: -133.196
Base-Backbone interact. energy: 4.673
local terms energy: -292.785438
where:
bonds (distance) C4'-P energy: -75.516
bonds (distance) P-C4' energy: -94.177
flat angles C4'-P-C4' energy: -75.470
flat angles P-C4'-P energy: -53.766
tors. eta vs tors. theta energy: 6.144
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: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -417.631878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.631878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.631878 (E_RNA)
where:
Base-Base interactions energy: -140.475
where: short stacking energy: -120.085
Base-Backbone interact. energy: 2.679
local terms energy: -279.836200
where:
bonds (distance) C4'-P energy: -83.928
bonds (distance) P-C4' energy: -76.841
flat angles C4'-P-C4' energy: -88.421
flat angles P-C4'-P energy: -26.825
tors. eta vs tors. theta energy: -3.821
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: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -405.025184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.025184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.025184 (E_RNA)
where:
Base-Base interactions energy: -142.160
where: short stacking energy: -129.395
Base-Backbone interact. energy: -1.309
local terms energy: -261.556273
where:
bonds (distance) C4'-P energy: -88.587
bonds (distance) P-C4' energy: -79.448
flat angles C4'-P-C4' energy: -66.136
flat angles P-C4'-P energy: -35.181
tors. eta vs tors. theta energy: 7.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -352.337971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.337971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.337971 (E_RNA)
where:
Base-Base interactions energy: -117.304
where: short stacking energy: -100.569
Base-Backbone interact. energy: -2.741
local terms energy: -232.293405
where:
bonds (distance) C4'-P energy: -72.255
bonds (distance) P-C4' energy: -63.121
flat angles C4'-P-C4' energy: -60.618
flat angles P-C4'-P energy: -49.361
tors. eta vs tors. theta energy: 13.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1329.019731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.019731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.019731 (E_RNA)
where:
Base-Base interactions energy: -813.647
where: short stacking energy: -498.165
Base-Backbone interact. energy: -0.991
local terms energy: -514.381230
where:
bonds (distance) C4'-P energy: -88.651
bonds (distance) P-C4' energy: -80.748
flat angles C4'-P-C4' energy: -104.891
flat angles P-C4'-P energy: -76.231
tors. eta vs tors. theta energy: -163.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1111.276609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.276609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.276609 (E_RNA)
where:
Base-Base interactions energy: -627.623
where: short stacking energy: -385.174
Base-Backbone interact. energy: -1.886
local terms energy: -481.766973
where:
bonds (distance) C4'-P energy: -86.494
bonds (distance) P-C4' energy: -101.608
flat angles C4'-P-C4' energy: -101.666
flat angles P-C4'-P energy: -80.546
tors. eta vs tors. theta energy: -111.453
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: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1008.430052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.430052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.430052 (E_RNA)
where:
Base-Base interactions energy: -590.380
where: short stacking energy: -322.414
Base-Backbone interact. energy: 0.108
local terms energy: -418.158609
where:
bonds (distance) C4'-P energy: -91.550
bonds (distance) P-C4' energy: -81.979
flat angles C4'-P-C4' energy: -98.943
flat angles P-C4'-P energy: -59.398
tors. eta vs tors. theta energy: -86.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -874.768144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.768144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.768144 (E_RNA)
where:
Base-Base interactions energy: -463.032
where: short stacking energy: -282.911
Base-Backbone interact. energy: -1.557
local terms energy: -410.178925
where:
bonds (distance) C4'-P energy: -93.743
bonds (distance) P-C4' energy: -90.634
flat angles C4'-P-C4' energy: -93.756
flat angles P-C4'-P energy: -56.719
tors. eta vs tors. theta energy: -75.327
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: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -739.595975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.595975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.595975 (E_RNA)
where:
Base-Base interactions energy: -399.646
where: short stacking energy: -233.571
Base-Backbone interact. energy: 0.888
local terms energy: -340.838358
where:
bonds (distance) C4'-P energy: -71.264
bonds (distance) P-C4' energy: -99.427
flat angles C4'-P-C4' energy: -75.522
flat angles P-C4'-P energy: -52.518
tors. eta vs tors. theta energy: -42.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -482.788281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.788281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.788281 (E_RNA)
where:
Base-Base interactions energy: -181.333
where: short stacking energy: -162.501
Base-Backbone interact. energy: 3.443
local terms energy: -304.898785
where:
bonds (distance) C4'-P energy: -72.322
bonds (distance) P-C4' energy: -81.454
flat angles C4'-P-C4' energy: -72.824
flat angles P-C4'-P energy: -53.482
tors. eta vs tors. theta energy: -24.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -540.178368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.178368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.178368 (E_RNA)
where:
Base-Base interactions energy: -218.109
where: short stacking energy: -160.524
Base-Backbone interact. energy: 0.545
local terms energy: -322.614216
where:
bonds (distance) C4'-P energy: -74.833
bonds (distance) P-C4' energy: -88.196
flat angles C4'-P-C4' energy: -84.111
flat angles P-C4'-P energy: -55.966
tors. eta vs tors. theta energy: -19.508
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: 1
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -441.765334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.765334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.765334 (E_RNA)
where:
Base-Base interactions energy: -158.738
where: short stacking energy: -131.131
Base-Backbone interact. energy: 1.269
local terms energy: -284.296350
where:
bonds (distance) C4'-P energy: -80.840
bonds (distance) P-C4' energy: -73.113
flat angles C4'-P-C4' energy: -73.730
flat angles P-C4'-P energy: -51.446
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -375.659933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.659933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.659933 (E_RNA)
where:
Base-Base interactions energy: -135.821
where: short stacking energy: -124.130
Base-Backbone interact. energy: 1.093
local terms energy: -240.932189
where:
bonds (distance) C4'-P energy: -71.304
bonds (distance) P-C4' energy: -82.232
flat angles C4'-P-C4' energy: -57.253
flat angles P-C4'-P energy: -41.873
tors. eta vs tors. theta energy: 11.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -341.791855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.791855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.791855 (E_RNA)
where:
Base-Base interactions energy: -109.421
where: short stacking energy: -100.063
Base-Backbone interact. energy: -1.192
local terms energy: -231.179571
where:
bonds (distance) C4'-P energy: -76.456
bonds (distance) P-C4' energy: -82.807
flat angles C4'-P-C4' energy: -55.231
flat angles P-C4'-P energy: -34.531
tors. eta vs tors. theta energy: 17.845
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: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1325.354034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.354034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.354034 (E_RNA)
where:
Base-Base interactions energy: -809.878
where: short stacking energy: -488.930
Base-Backbone interact. energy: 0.198
local terms energy: -515.674112
where:
bonds (distance) C4'-P energy: -90.349
bonds (distance) P-C4' energy: -88.323
flat angles C4'-P-C4' energy: -103.908
flat angles P-C4'-P energy: -71.213
tors. eta vs tors. theta energy: -161.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1082.237143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.237143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.237143 (E_RNA)
where:
Base-Base interactions energy: -638.566
where: short stacking energy: -408.984
Base-Backbone interact. energy: -1.482
local terms energy: -442.189017
where:
bonds (distance) C4'-P energy: -75.879
bonds (distance) P-C4' energy: -87.328
flat angles C4'-P-C4' energy: -95.776
flat angles P-C4'-P energy: -60.691
tors. eta vs tors. theta energy: -122.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -999.964606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.964606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.964606 (E_RNA)
where:
Base-Base interactions energy: -582.142
where: short stacking energy: -338.729
Base-Backbone interact. energy: -0.231
local terms energy: -417.591195
where:
bonds (distance) C4'-P energy: -78.375
bonds (distance) P-C4' energy: -96.888
flat angles C4'-P-C4' energy: -92.233
flat angles P-C4'-P energy: -54.755
tors. eta vs tors. theta energy: -95.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -799.317353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.317353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.317353 (E_RNA)
where:
Base-Base interactions energy: -439.580
where: short stacking energy: -241.445
Base-Backbone interact. energy: 1.486
local terms energy: -361.224258
where:
bonds (distance) C4'-P energy: -84.444
bonds (distance) P-C4' energy: -90.665
flat angles C4'-P-C4' energy: -86.795
flat angles P-C4'-P energy: -43.085
tors. eta vs tors. theta energy: -56.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -776.302718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.302718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.302718 (E_RNA)
where:
Base-Base interactions energy: -405.896
where: short stacking energy: -247.218
Base-Backbone interact. energy: 1.476
local terms energy: -371.882879
where:
bonds (distance) C4'-P energy: -81.055
bonds (distance) P-C4' energy: -95.493
flat angles C4'-P-C4' energy: -84.235
flat angles P-C4'-P energy: -63.050
tors. eta vs tors. theta energy: -48.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -522.873990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.873990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.873990 (E_RNA)
where:
Base-Base interactions energy: -208.367
where: short stacking energy: -154.407
Base-Backbone interact. energy: -0.230
local terms energy: -314.277154
where:
bonds (distance) C4'-P energy: -86.309
bonds (distance) P-C4' energy: -87.847
flat angles C4'-P-C4' energy: -83.471
flat angles P-C4'-P energy: -44.510
tors. eta vs tors. theta energy: -12.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -534.304631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.304631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.304631 (E_RNA)
where:
Base-Base interactions energy: -241.380
where: short stacking energy: -187.293
Base-Backbone interact. energy: 3.571
local terms energy: -296.495318
where:
bonds (distance) C4'-P energy: -66.338
bonds (distance) P-C4' energy: -82.786
flat angles C4'-P-C4' energy: -77.324
flat angles P-C4'-P energy: -37.038
tors. eta vs tors. theta energy: -33.010
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: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -443.408606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.408606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.408606 (E_RNA)
where:
Base-Base interactions energy: -174.161
where: short stacking energy: -132.332
Base-Backbone interact. energy: -2.148
local terms energy: -267.099509
where:
bonds (distance) C4'-P energy: -70.748
bonds (distance) P-C4' energy: -75.646
flat angles C4'-P-C4' energy: -83.532
flat angles P-C4'-P energy: -43.250
tors. eta vs tors. theta energy: 6.076
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: 3
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -389.564964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.564964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.564964 (E_RNA)
where:
Base-Base interactions energy: -122.894
where: short stacking energy: -120.586
Base-Backbone interact. energy: 3.386
local terms energy: -270.056825
where:
bonds (distance) C4'-P energy: -63.870
bonds (distance) P-C4' energy: -88.529
flat angles C4'-P-C4' energy: -67.942
flat angles P-C4'-P energy: -62.769
tors. eta vs tors. theta energy: 13.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -356.066883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.066883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.066883 (E_RNA)
where:
Base-Base interactions energy: -102.064
where: short stacking energy: -81.572
Base-Backbone interact. energy: 0.795
local terms energy: -254.798176
where:
bonds (distance) C4'-P energy: -85.855
bonds (distance) P-C4' energy: -80.412
flat angles C4'-P-C4' energy: -71.793
flat angles P-C4'-P energy: -43.786
tors. eta vs tors. theta energy: 27.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1306.883770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.883770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.883770 (E_RNA)
where:
Base-Base interactions energy: -789.268
where: short stacking energy: -483.883
Base-Backbone interact. energy: -0.529
local terms energy: -517.086858
where:
bonds (distance) C4'-P energy: -88.984
bonds (distance) P-C4' energy: -101.917
flat angles C4'-P-C4' energy: -99.407
flat angles P-C4'-P energy: -70.019
tors. eta vs tors. theta energy: -156.761
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: 6
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1110.318219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.318219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.318219 (E_RNA)
where:
Base-Base interactions energy: -642.366
where: short stacking energy: -388.922
Base-Backbone interact. energy: 0.015
local terms energy: -467.967293
where:
bonds (distance) C4'-P energy: -87.310
bonds (distance) P-C4' energy: -95.983
flat angles C4'-P-C4' energy: -106.147
flat angles P-C4'-P energy: -58.741
tors. eta vs tors. theta energy: -119.786
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: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -995.418287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.418287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.418287 (E_RNA)
where:
Base-Base interactions energy: -556.590
where: short stacking energy: -309.132
Base-Backbone interact. energy: 0.529
local terms energy: -439.357888
where:
bonds (distance) C4'-P energy: -87.270
bonds (distance) P-C4' energy: -86.835
flat angles C4'-P-C4' energy: -101.705
flat angles P-C4'-P energy: -68.077
tors. eta vs tors. theta energy: -95.469
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: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -876.434545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.434545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.434545 (E_RNA)
where:
Base-Base interactions energy: -492.587
where: short stacking energy: -277.751
Base-Backbone interact. energy: 0.262
local terms energy: -384.109891
where:
bonds (distance) C4'-P energy: -73.362
bonds (distance) P-C4' energy: -92.462
flat angles C4'-P-C4' energy: -86.323
flat angles P-C4'-P energy: -69.963
tors. eta vs tors. theta energy: -62.000
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: 10
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -750.355217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.355217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.355217 (E_RNA)
where:
Base-Base interactions energy: -390.741
where: short stacking energy: -259.127
Base-Backbone interact. energy: -1.450
local terms energy: -358.164416
where:
bonds (distance) C4'-P energy: -72.856
bonds (distance) P-C4' energy: -81.428
flat angles C4'-P-C4' energy: -91.947
flat angles P-C4'-P energy: -52.727
tors. eta vs tors. theta energy: -59.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -530.176252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.176252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.176252 (E_RNA)
where:
Base-Base interactions energy: -233.399
where: short stacking energy: -173.398
Base-Backbone interact. energy: -0.001
local terms energy: -296.775682
where:
bonds (distance) C4'-P energy: -80.592
bonds (distance) P-C4' energy: -87.132
flat angles C4'-P-C4' energy: -76.106
flat angles P-C4'-P energy: -47.154
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: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -497.667383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.667383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.667383 (E_RNA)
where:
Base-Base interactions energy: -203.694
where: short stacking energy: -152.095
Base-Backbone interact. energy: -0.722
local terms energy: -293.251384
where:
bonds (distance) C4'-P energy: -80.426
bonds (distance) P-C4' energy: -89.614
flat angles C4'-P-C4' energy: -71.927
flat angles P-C4'-P energy: -51.954
tors. eta vs tors. theta energy: 0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -442.400378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.400378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.400378 (E_RNA)
where:
Base-Base interactions energy: -155.932
where: short stacking energy: -141.668
Base-Backbone interact. energy: 1.290
local terms energy: -287.757675
where:
bonds (distance) C4'-P energy: -70.561
bonds (distance) P-C4' energy: -81.908
flat angles C4'-P-C4' energy: -76.415
flat angles P-C4'-P energy: -58.641
tors. eta vs tors. theta energy: -0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -390.286062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.286062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.286062 (E_RNA)
where:
Base-Base interactions energy: -116.921
where: short stacking energy: -114.068
Base-Backbone interact. energy: 4.884
local terms energy: -278.249178
where:
bonds (distance) C4'-P energy: -79.107
bonds (distance) P-C4' energy: -88.319
flat angles C4'-P-C4' energy: -66.050
flat angles P-C4'-P energy: -38.310
tors. eta vs tors. theta energy: -6.463
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: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -355.196597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.196597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.196597 (E_RNA)
where:
Base-Base interactions energy: -105.875
where: short stacking energy: -84.853
Base-Backbone interact. energy: -2.551
local terms energy: -246.770589
where:
bonds (distance) C4'-P energy: -83.830
bonds (distance) P-C4' energy: -81.845
flat angles C4'-P-C4' energy: -52.907
flat angles P-C4'-P energy: -47.611
tors. eta vs tors. theta energy: 19.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1332.860086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.860086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.860086 (E_RNA)
where:
Base-Base interactions energy: -822.275
where: short stacking energy: -481.867
Base-Backbone interact. energy: -1.146
local terms energy: -509.439086
where:
bonds (distance) C4'-P energy: -86.547
bonds (distance) P-C4' energy: -86.860
flat angles C4'-P-C4' energy: -115.033
flat angles P-C4'-P energy: -68.436
tors. eta vs tors. theta energy: -152.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1084.316872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.316872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.316872 (E_RNA)
where:
Base-Base interactions energy: -622.740
where: short stacking energy: -391.252
Base-Backbone interact. energy: 2.021
local terms energy: -463.597506
where:
bonds (distance) C4'-P energy: -88.776
bonds (distance) P-C4' energy: -95.978
flat angles C4'-P-C4' energy: -101.055
flat angles P-C4'-P energy: -66.663
tors. eta vs tors. theta energy: -111.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -942.590491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.590491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.590491 (E_RNA)
where:
Base-Base interactions energy: -530.212
where: short stacking energy: -319.299
Base-Backbone interact. energy: -1.694
local terms energy: -410.684624
where:
bonds (distance) C4'-P energy: -78.534
bonds (distance) P-C4' energy: -95.918
flat angles C4'-P-C4' energy: -88.115
flat angles P-C4'-P energy: -71.037
tors. eta vs tors. theta energy: -77.079
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: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -865.756015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.756015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.756015 (E_RNA)
where:
Base-Base interactions energy: -473.498
where: short stacking energy: -285.558
Base-Backbone interact. energy: -0.038
local terms energy: -392.219458
where:
bonds (distance) C4'-P energy: -92.088
bonds (distance) P-C4' energy: -89.674
flat angles C4'-P-C4' energy: -88.728
flat angles P-C4'-P energy: -45.605
tors. eta vs tors. theta energy: -76.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -724.740902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.740902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.740902 (E_RNA)
where:
Base-Base interactions energy: -369.028
where: short stacking energy: -211.475
Base-Backbone interact. energy: 0.972
local terms energy: -356.684702
where:
bonds (distance) C4'-P energy: -83.307
bonds (distance) P-C4' energy: -99.837
flat angles C4'-P-C4' energy: -88.742
flat angles P-C4'-P energy: -46.264
tors. eta vs tors. theta energy: -38.535
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: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -525.786736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.786736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.786736 (E_RNA)
where:
Base-Base interactions energy: -228.418
where: short stacking energy: -183.042
Base-Backbone interact. energy: -0.189
local terms energy: -297.179934
where:
bonds (distance) C4'-P energy: -76.931
bonds (distance) P-C4' energy: -84.800
flat angles C4'-P-C4' energy: -70.372
flat angles P-C4'-P energy: -52.182
tors. eta vs tors. theta energy: -12.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -483.716897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.716897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.716897 (E_RNA)
where:
Base-Base interactions energy: -165.687
where: short stacking energy: -138.024
Base-Backbone interact. energy: 0.292
local terms energy: -318.321755
where:
bonds (distance) C4'-P energy: -82.186
bonds (distance) P-C4' energy: -100.337
flat angles C4'-P-C4' energy: -81.522
flat angles P-C4'-P energy: -48.887
tors. eta vs tors. theta energy: -5.389
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: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -411.470606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.470606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.470606 (E_RNA)
where:
Base-Base interactions energy: -151.962
where: short stacking energy: -131.826
Base-Backbone interact. energy: -0.683
local terms energy: -258.825590
where:
bonds (distance) C4'-P energy: -80.046
bonds (distance) P-C4' energy: -74.520
flat angles C4'-P-C4' energy: -56.242
flat angles P-C4'-P energy: -46.431
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: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -373.247719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.247719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.247719 (E_RNA)
where:
Base-Base interactions energy: -137.763
where: short stacking energy: -123.353
Base-Backbone interact. energy: 3.106
local terms energy: -238.591467
where:
bonds (distance) C4'-P energy: -76.925
bonds (distance) P-C4' energy: -76.747
flat angles C4'-P-C4' energy: -66.590
flat angles P-C4'-P energy: -29.327
tors. eta vs tors. theta energy: 10.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -372.215059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.215059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.215059 (E_RNA)
where:
Base-Base interactions energy: -114.107
where: short stacking energy: -88.618
Base-Backbone interact. energy: 3.959
local terms energy: -262.067547
where:
bonds (distance) C4'-P energy: -81.518
bonds (distance) P-C4' energy: -84.485
flat angles C4'-P-C4' energy: -70.989
flat angles P-C4'-P energy: -45.581
tors. eta vs tors. theta energy: 20.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1278.689322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.689322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.689322 (E_RNA)
where:
Base-Base interactions energy: -762.019
where: short stacking energy: -449.746
Base-Backbone interact. energy: 0.737
local terms energy: -517.407186
where:
bonds (distance) C4'-P energy: -93.717
bonds (distance) P-C4' energy: -99.485
flat angles C4'-P-C4' energy: -111.806
flat angles P-C4'-P energy: -74.306
tors. eta vs tors. theta energy: -138.093
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: 6
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1135.447703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.447703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.447703 (E_RNA)
where:
Base-Base interactions energy: -651.390
where: short stacking energy: -394.266
Base-Backbone interact. energy: 3.468
local terms energy: -487.525354
where:
bonds (distance) C4'-P energy: -92.022
bonds (distance) P-C4' energy: -107.660
flat angles C4'-P-C4' energy: -105.133
flat angles P-C4'-P energy: -61.996
tors. eta vs tors. theta energy: -120.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -961.950793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.950793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.950793 (E_RNA)
where:
Base-Base interactions energy: -554.055
where: short stacking energy: -338.246
Base-Backbone interact. energy: -0.384
local terms energy: -407.512516
where:
bonds (distance) C4'-P energy: -90.218
bonds (distance) P-C4' energy: -92.072
flat angles C4'-P-C4' energy: -88.356
flat angles P-C4'-P energy: -55.794
tors. eta vs tors. theta energy: -81.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -866.191012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.191012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.191012 (E_RNA)
where:
Base-Base interactions energy: -494.686
where: short stacking energy: -292.874
Base-Backbone interact. energy: -1.420
local terms energy: -370.085511
where:
bonds (distance) C4'-P energy: -77.575
bonds (distance) P-C4' energy: -79.418
flat angles C4'-P-C4' energy: -83.079
flat angles P-C4'-P energy: -48.478
tors. eta vs tors. theta energy: -81.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -726.291141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.291141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.291141 (E_RNA)
where:
Base-Base interactions energy: -378.247
where: short stacking energy: -231.207
Base-Backbone interact. energy: -1.572
local terms energy: -346.472298
where:
bonds (distance) C4'-P energy: -83.185
bonds (distance) P-C4' energy: -91.983
flat angles C4'-P-C4' energy: -71.044
flat angles P-C4'-P energy: -51.431
tors. eta vs tors. theta energy: -48.829
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: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -486.886335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.886335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.886335 (E_RNA)
where:
Base-Base interactions energy: -186.777
where: short stacking energy: -174.351
Base-Backbone interact. energy: -0.008
local terms energy: -300.101495
where:
bonds (distance) C4'-P energy: -69.690
bonds (distance) P-C4' energy: -81.781
flat angles C4'-P-C4' energy: -76.549
flat angles P-C4'-P energy: -52.496
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -460.528642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.528642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.528642 (E_RNA)
where:
Base-Base interactions energy: -160.190
where: short stacking energy: -155.397
Base-Backbone interact. energy: 0.295
local terms energy: -300.634177
where:
bonds (distance) C4'-P energy: -81.469
bonds (distance) P-C4' energy: -91.623
flat angles C4'-P-C4' energy: -66.543
flat angles P-C4'-P energy: -45.078
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -412.117942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.117942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.117942 (E_RNA)
where:
Base-Base interactions energy: -140.653
where: short stacking energy: -130.811
Base-Backbone interact. energy: -1.120
local terms energy: -270.344890
where:
bonds (distance) C4'-P energy: -86.302
bonds (distance) P-C4' energy: -70.608
flat angles C4'-P-C4' energy: -55.026
flat angles P-C4'-P energy: -48.129
tors. eta vs tors. theta energy: -10.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -390.649543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.649543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.649543 (E_RNA)
where:
Base-Base interactions energy: -111.737
where: short stacking energy: -99.770
Base-Backbone interact. energy: -1.855
local terms energy: -277.057322
where:
bonds (distance) C4'-P energy: -69.753
bonds (distance) P-C4' energy: -88.976
flat angles C4'-P-C4' energy: -73.835
flat angles P-C4'-P energy: -39.929
tors. eta vs tors. theta energy: -4.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -361.382462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.382462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.382462 (E_RNA)
where:
Base-Base interactions energy: -132.884
where: short stacking energy: -117.303
Base-Backbone interact. energy: -0.073
local terms energy: -228.425257
where:
bonds (distance) C4'-P energy: -71.025
bonds (distance) P-C4' energy: -72.122
flat angles C4'-P-C4' energy: -69.640
flat angles P-C4'-P energy: -37.558
tors. eta vs tors. theta energy: 21.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1292.726774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.726774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.726774 (E_RNA)
where:
Base-Base interactions energy: -753.664
where: short stacking energy: -464.467
Base-Backbone interact. energy: -1.187
local terms energy: -537.875716
where:
bonds (distance) C4'-P energy: -96.659
bonds (distance) P-C4' energy: -102.374
flat angles C4'-P-C4' energy: -107.416
flat angles P-C4'-P energy: -82.603
tors. eta vs tors. theta energy: -148.824
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: 6
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1121.476163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.476163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.476163 (E_RNA)
where:
Base-Base interactions energy: -642.315
where: short stacking energy: -414.733
Base-Backbone interact. energy: 0.387
local terms energy: -479.548427
where:
bonds (distance) C4'-P energy: -92.895
bonds (distance) P-C4' energy: -98.636
flat angles C4'-P-C4' energy: -104.784
flat angles P-C4'-P energy: -72.782
tors. eta vs tors. theta energy: -110.452
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: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -987.958576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.958576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.958576 (E_RNA)
where:
Base-Base interactions energy: -560.295
where: short stacking energy: -329.565
Base-Backbone interact. energy: -1.771
local terms energy: -425.891793
where:
bonds (distance) C4'-P energy: -88.101
bonds (distance) P-C4' energy: -92.462
flat angles C4'-P-C4' energy: -94.666
flat angles P-C4'-P energy: -61.957
tors. eta vs tors. theta energy: -88.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -823.058608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.058608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.058608 (E_RNA)
where:
Base-Base interactions energy: -441.152
where: short stacking energy: -281.184
Base-Backbone interact. energy: -2.090
local terms energy: -379.816514
where:
bonds (distance) C4'-P energy: -76.824
bonds (distance) P-C4' energy: -89.272
flat angles C4'-P-C4' energy: -86.189
flat angles P-C4'-P energy: -60.583
tors. eta vs tors. theta energy: -66.950
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: 10
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -749.065541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.065541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.065541 (E_RNA)
where:
Base-Base interactions energy: -401.303
where: short stacking energy: -260.260
Base-Backbone interact. energy: -2.966
local terms energy: -344.797060
where:
bonds (distance) C4'-P energy: -74.189
bonds (distance) P-C4' energy: -75.883
flat angles C4'-P-C4' energy: -94.694
flat angles P-C4'-P energy: -49.911
tors. eta vs tors. theta energy: -50.120
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: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -460.590044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.590044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.590044 (E_RNA)
where:
Base-Base interactions energy: -164.031
where: short stacking energy: -152.015
Base-Backbone interact. energy: 0.271
local terms energy: -296.830148
where:
bonds (distance) C4'-P energy: -84.593
bonds (distance) P-C4' energy: -90.471
flat angles C4'-P-C4' energy: -66.714
flat angles P-C4'-P energy: -53.215
tors. eta vs tors. theta energy: -1.837
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: 5
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -474.716131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.716131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.716131 (E_RNA)
where:
Base-Base interactions energy: -196.837
where: short stacking energy: -168.694
Base-Backbone interact. energy: 0.364
local terms energy: -278.243011
where:
bonds (distance) C4'-P energy: -80.332
bonds (distance) P-C4' energy: -81.706
flat angles C4'-P-C4' energy: -57.050
flat angles P-C4'-P energy: -45.339
tors. eta vs tors. theta energy: -13.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -408.269985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.269985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.269985 (E_RNA)
where:
Base-Base interactions energy: -157.048
where: short stacking energy: -136.414
Base-Backbone interact. energy: 2.212
local terms energy: -253.433427
where:
bonds (distance) C4'-P energy: -73.593
bonds (distance) P-C4' energy: -67.207
flat angles C4'-P-C4' energy: -66.542
flat angles P-C4'-P energy: -42.142
tors. eta vs tors. theta energy: -3.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -401.095395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.095395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.095395 (E_RNA)
where:
Base-Base interactions energy: -128.965
where: short stacking energy: -115.429
Base-Backbone interact. energy: -0.296
local terms energy: -271.834883
where:
bonds (distance) C4'-P energy: -87.389
bonds (distance) P-C4' energy: -80.757
flat angles C4'-P-C4' energy: -67.081
flat angles P-C4'-P energy: -49.509
tors. eta vs tors. theta energy: 12.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -339.351809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.351809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.351809 (E_RNA)
where:
Base-Base interactions energy: -111.056
where: short stacking energy: -95.546
Base-Backbone interact. energy: 4.651
local terms energy: -232.946506
where:
bonds (distance) C4'-P energy: -82.724
bonds (distance) P-C4' energy: -83.820
flat angles C4'-P-C4' energy: -68.679
flat angles P-C4'-P energy: -33.751
tors. eta vs tors. theta energy: 36.027
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: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1280.644583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.644583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.644583 (E_RNA)
where:
Base-Base interactions energy: -766.242
where: short stacking energy: -449.592
Base-Backbone interact. energy: 0.084
local terms energy: -514.486626
where:
bonds (distance) C4'-P energy: -90.670
bonds (distance) P-C4' energy: -96.960
flat angles C4'-P-C4' energy: -114.093
flat angles P-C4'-P energy: -73.156
tors. eta vs tors. theta energy: -139.607
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: 6
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1066.838187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.838187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.838187 (E_RNA)
where:
Base-Base interactions energy: -613.392
where: short stacking energy: -356.229
Base-Backbone interact. energy: -1.610
local terms energy: -451.835535
where:
bonds (distance) C4'-P energy: -94.782
bonds (distance) P-C4' energy: -88.135
flat angles C4'-P-C4' energy: -94.047
flat angles P-C4'-P energy: -67.954
tors. eta vs tors. theta energy: -106.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -943.998146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.998146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.998146 (E_RNA)
where:
Base-Base interactions energy: -531.661
where: short stacking energy: -299.149
Base-Backbone interact. energy: 0.234
local terms energy: -412.571173
where:
bonds (distance) C4'-P energy: -91.864
bonds (distance) P-C4' energy: -92.432
flat angles C4'-P-C4' energy: -93.775
flat angles P-C4'-P energy: -63.005
tors. eta vs tors. theta energy: -71.495
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: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -798.619540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.619540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.619540 (E_RNA)
where:
Base-Base interactions energy: -431.501
where: short stacking energy: -242.925
Base-Backbone interact. energy: 4.664
local terms energy: -371.782480
where:
bonds (distance) C4'-P energy: -74.886
bonds (distance) P-C4' energy: -90.320
flat angles C4'-P-C4' energy: -99.155
flat angles P-C4'-P energy: -51.398
tors. eta vs tors. theta energy: -56.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -743.777659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.777659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.777659 (E_RNA)
where:
Base-Base interactions energy: -395.972
where: short stacking energy: -251.953
Base-Backbone interact. energy: -2.351
local terms energy: -345.454695
where:
bonds (distance) C4'-P energy: -77.055
bonds (distance) P-C4' energy: -86.504
flat angles C4'-P-C4' energy: -73.454
flat angles P-C4'-P energy: -54.637
tors. eta vs tors. theta energy: -53.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -523.934644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.934644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.934644 (E_RNA)
where:
Base-Base interactions energy: -212.422
where: short stacking energy: -173.779
Base-Backbone interact. energy: 0.822
local terms energy: -312.334482
where:
bonds (distance) C4'-P energy: -90.861
bonds (distance) P-C4' energy: -79.641
flat angles C4'-P-C4' energy: -75.104
flat angles P-C4'-P energy: -39.524
tors. eta vs tors. theta energy: -27.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -462.582178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.582178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.582178 (E_RNA)
where:
Base-Base interactions energy: -178.530
where: short stacking energy: -125.945
Base-Backbone interact. energy: 1.567
local terms energy: -285.619669
where:
bonds (distance) C4'-P energy: -80.463
bonds (distance) P-C4' energy: -83.932
flat angles C4'-P-C4' energy: -69.200
flat angles P-C4'-P energy: -44.489
tors. eta vs tors. theta energy: -7.536
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: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -409.428725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.428725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.428725 (E_RNA)
where:
Base-Base interactions energy: -129.472
where: short stacking energy: -122.015
Base-Backbone interact. energy: -1.700
local terms energy: -278.257098
where:
bonds (distance) C4'-P energy: -88.349
bonds (distance) P-C4' energy: -80.190
flat angles C4'-P-C4' energy: -81.983
flat angles P-C4'-P energy: -36.445
tors. eta vs tors. theta energy: 8.709
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: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -392.148539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.148539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.148539 (E_RNA)
where:
Base-Base interactions energy: -138.318
where: short stacking energy: -136.597
Base-Backbone interact. energy: 0.796
local terms energy: -254.626577
where:
bonds (distance) C4'-P energy: -76.852
bonds (distance) P-C4' energy: -64.208
flat angles C4'-P-C4' energy: -79.586
flat angles P-C4'-P energy: -37.458
tors. eta vs tors. theta energy: 3.478
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: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -372.696669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.696669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.696669 (E_RNA)
where:
Base-Base interactions energy: -117.641
where: short stacking energy: -115.643
Base-Backbone interact. energy: -1.001
local terms energy: -254.054812
where:
bonds (distance) C4'-P energy: -77.327
bonds (distance) P-C4' energy: -71.866
flat angles C4'-P-C4' energy: -59.959
flat angles P-C4'-P energy: -44.890
tors. eta vs tors. theta energy: -0.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1268.998913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.998913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.998913 (E_RNA)
where:
Base-Base interactions energy: -753.251
where: short stacking energy: -448.990
Base-Backbone interact. energy: -0.856
local terms energy: -514.891756
where:
bonds (distance) C4'-P energy: -92.532
bonds (distance) P-C4' energy: -105.439
flat angles C4'-P-C4' energy: -104.696
flat angles P-C4'-P energy: -73.265
tors. eta vs tors. theta energy: -138.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1127.106390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.106390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.106390 (E_RNA)
where:
Base-Base interactions energy: -658.432
where: short stacking energy: -382.375
Base-Backbone interact. energy: -0.780
local terms energy: -467.894386
where:
bonds (distance) C4'-P energy: -84.313
bonds (distance) P-C4' energy: -104.051
flat angles C4'-P-C4' energy: -99.631
flat angles P-C4'-P energy: -57.818
tors. eta vs tors. theta energy: -122.082
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: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -965.590173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.590173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.590173 (E_RNA)
where:
Base-Base interactions energy: -550.034
where: short stacking energy: -320.949
Base-Backbone interact. energy: 1.478
local terms energy: -417.034038
where:
bonds (distance) C4'-P energy: -85.833
bonds (distance) P-C4' energy: -95.981
flat angles C4'-P-C4' energy: -90.589
flat angles P-C4'-P energy: -55.136
tors. eta vs tors. theta energy: -89.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -775.124659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.124659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.124659 (E_RNA)
where:
Base-Base interactions energy: -396.328
where: short stacking energy: -265.592
Base-Backbone interact. energy: 0.644
local terms energy: -379.440323
where:
bonds (distance) C4'-P energy: -80.676
bonds (distance) P-C4' energy: -91.224
flat angles C4'-P-C4' energy: -83.493
flat angles P-C4'-P energy: -54.555
tors. eta vs tors. theta energy: -69.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -746.227116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.227116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.227116 (E_RNA)
where:
Base-Base interactions energy: -394.508
where: short stacking energy: -264.367
Base-Backbone interact. energy: -1.181
local terms energy: -350.538148
where:
bonds (distance) C4'-P energy: -81.529
bonds (distance) P-C4' energy: -76.323
flat angles C4'-P-C4' energy: -96.786
flat angles P-C4'-P energy: -39.871
tors. eta vs tors. theta energy: -56.029
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: 303
Temperature: 1.150000
Total energy: -492.875830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.875830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.875830 (E_RNA)
where:
Base-Base interactions energy: -182.958
where: short stacking energy: -165.385
Base-Backbone interact. energy: -1.707
local terms energy: -308.211581
where:
bonds (distance) C4'-P energy: -88.882
bonds (distance) P-C4' energy: -84.026
flat angles C4'-P-C4' energy: -81.425
flat angles P-C4'-P energy: -45.081
tors. eta vs tors. theta energy: -8.798
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: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -475.225929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.225929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.225929 (E_RNA)
where:
Base-Base interactions energy: -174.548
where: short stacking energy: -130.799
Base-Backbone interact. energy: -0.436
local terms energy: -300.242189
where:
bonds (distance) C4'-P energy: -90.120
bonds (distance) P-C4' energy: -92.150
flat angles C4'-P-C4' energy: -70.818
flat angles P-C4'-P energy: -39.392
tors. eta vs tors. theta energy: -7.762
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: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -453.863219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.863219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.863219 (E_RNA)
where:
Base-Base interactions energy: -143.248
where: short stacking energy: -129.477
Base-Backbone interact. energy: -0.583
local terms energy: -310.032844
where:
bonds (distance) C4'-P energy: -91.179
bonds (distance) P-C4' energy: -82.752
flat angles C4'-P-C4' energy: -83.846
flat angles P-C4'-P energy: -41.564
tors. eta vs tors. theta energy: -10.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -379.246995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.246995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.246995 (E_RNA)
where:
Base-Base interactions energy: -113.620
where: short stacking energy: -102.232
Base-Backbone interact. energy: -1.158
local terms energy: -264.468847
where:
bonds (distance) C4'-P energy: -70.823
bonds (distance) P-C4' energy: -87.706
flat angles C4'-P-C4' energy: -68.258
flat angles P-C4'-P energy: -44.709
tors. eta vs tors. theta energy: 7.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -354.534859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.534859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.534859 (E_RNA)
where:
Base-Base interactions energy: -119.801
where: short stacking energy: -102.220
Base-Backbone interact. energy: 2.286
local terms energy: -237.020035
where:
bonds (distance) C4'-P energy: -85.229
bonds (distance) P-C4' energy: -72.491
flat angles C4'-P-C4' energy: -69.488
flat angles P-C4'-P energy: -26.211
tors. eta vs tors. theta energy: 16.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1278.149179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.149179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.149179 (E_RNA)
where:
Base-Base interactions energy: -756.644
where: short stacking energy: -468.049
Base-Backbone interact. energy: -0.692
local terms energy: -520.813476
where:
bonds (distance) C4'-P energy: -99.762
bonds (distance) P-C4' energy: -99.390
flat angles C4'-P-C4' energy: -100.977
flat angles P-C4'-P energy: -74.298
tors. eta vs tors. theta energy: -146.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1091.201344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.201344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.201344 (E_RNA)
where:
Base-Base interactions energy: -644.158
where: short stacking energy: -389.673
Base-Backbone interact. energy: -0.828
local terms energy: -446.215095
where:
bonds (distance) C4'-P energy: -81.866
bonds (distance) P-C4' energy: -81.556
flat angles C4'-P-C4' energy: -97.445
flat angles P-C4'-P energy: -71.352
tors. eta vs tors. theta energy: -113.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -977.564535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.564535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.564535 (E_RNA)
where:
Base-Base interactions energy: -567.105
where: short stacking energy: -328.387
Base-Backbone interact. energy: -2.924
local terms energy: -407.535340
where:
bonds (distance) C4'-P energy: -100.336
bonds (distance) P-C4' energy: -75.659
flat angles C4'-P-C4' energy: -86.712
flat angles P-C4'-P energy: -67.535
tors. eta vs tors. theta energy: -77.293
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: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -833.316269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.316269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.316269 (E_RNA)
where:
Base-Base interactions energy: -416.044
where: short stacking energy: -269.401
Base-Backbone interact. energy: -0.902
local terms energy: -416.370395
where:
bonds (distance) C4'-P energy: -81.816
bonds (distance) P-C4' energy: -95.342
flat angles C4'-P-C4' energy: -98.297
flat angles P-C4'-P energy: -60.664
tors. eta vs tors. theta energy: -80.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -755.585699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.585699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.585699 (E_RNA)
where:
Base-Base interactions energy: -401.060
where: short stacking energy: -270.856
Base-Backbone interact. energy: 2.316
local terms energy: -356.840997
where:
bonds (distance) C4'-P energy: -86.768
bonds (distance) P-C4' energy: -89.078
flat angles C4'-P-C4' energy: -83.887
flat angles P-C4'-P energy: -50.103
tors. eta vs tors. theta energy: -47.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -525.557371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.557371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.557371 (E_RNA)
where:
Base-Base interactions energy: -239.915
where: short stacking energy: -178.553
Base-Backbone interact. energy: 1.738
local terms energy: -287.380222
where:
bonds (distance) C4'-P energy: -79.738
bonds (distance) P-C4' energy: -82.903
flat angles C4'-P-C4' energy: -61.556
flat angles P-C4'-P energy: -42.511
tors. eta vs tors. theta energy: -20.672
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: 9
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -439.559715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.559715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.559715 (E_RNA)
where:
Base-Base interactions energy: -146.941
where: short stacking energy: -119.212
Base-Backbone interact. energy: 0.997
local terms energy: -293.616261
where:
bonds (distance) C4'-P energy: -86.109
bonds (distance) P-C4' energy: -76.231
flat angles C4'-P-C4' energy: -82.233
flat angles P-C4'-P energy: -40.168
tors. eta vs tors. theta energy: -8.875
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: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -409.861229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.861229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.861229 (E_RNA)
where:
Base-Base interactions energy: -157.091
where: short stacking energy: -135.059
Base-Backbone interact. energy: -1.024
local terms energy: -251.746864
where:
bonds (distance) C4'-P energy: -61.824
bonds (distance) P-C4' energy: -83.277
flat angles C4'-P-C4' energy: -63.021
flat angles P-C4'-P energy: -40.427
tors. eta vs tors. theta energy: -3.198
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: 9, replica: 8
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -397.085533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.085533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.085533 (E_RNA)
where:
Base-Base interactions energy: -136.731
where: short stacking energy: -120.580
Base-Backbone interact. energy: -0.814
local terms energy: -259.540498
where:
bonds (distance) C4'-P energy: -73.272
bonds (distance) P-C4' energy: -81.548
flat angles C4'-P-C4' energy: -73.712
flat angles P-C4'-P energy: -34.443
tors. eta vs tors. theta energy: 3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -347.283702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.283702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.283702 (E_RNA)
where:
Base-Base interactions energy: -118.955
where: short stacking energy: -97.167
Base-Backbone interact. energy: 2.692
local terms energy: -231.021271
where:
bonds (distance) C4'-P energy: -71.861
bonds (distance) P-C4' energy: -73.351
flat angles C4'-P-C4' energy: -69.898
flat angles P-C4'-P energy: -24.588
tors. eta vs tors. theta energy: 8.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1264.742449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.742449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.742449 (E_RNA)
where:
Base-Base interactions energy: -739.153
where: short stacking energy: -448.778
Base-Backbone interact. energy: 2.448
local terms energy: -528.036806
where:
bonds (distance) C4'-P energy: -90.162
bonds (distance) P-C4' energy: -99.194
flat angles C4'-P-C4' energy: -106.912
flat angles P-C4'-P energy: -80.551
tors. eta vs tors. theta energy: -151.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1119.325209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.325209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.325209 (E_RNA)
where:
Base-Base interactions energy: -652.992
where: short stacking energy: -387.681
Base-Backbone interact. energy: -1.397
local terms energy: -464.935979
where:
bonds (distance) C4'-P energy: -96.239
bonds (distance) P-C4' energy: -83.829
flat angles C4'-P-C4' energy: -98.898
flat angles P-C4'-P energy: -69.935
tors. eta vs tors. theta energy: -116.036
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: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -986.514400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.514400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.514400 (E_RNA)
where:
Base-Base interactions energy: -555.964
where: short stacking energy: -339.224
Base-Backbone interact. energy: 1.559
local terms energy: -432.108998
where:
bonds (distance) C4'-P energy: -99.122
bonds (distance) P-C4' energy: -87.413
flat angles C4'-P-C4' energy: -94.362
flat angles P-C4'-P energy: -58.068
tors. eta vs tors. theta energy: -93.145
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: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -815.632967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.632967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.632967 (E_RNA)
where:
Base-Base interactions energy: -441.673
where: short stacking energy: -256.304
Base-Backbone interact. energy: 2.586
local terms energy: -376.546635
where:
bonds (distance) C4'-P energy: -91.020
bonds (distance) P-C4' energy: -92.955
flat angles C4'-P-C4' energy: -78.030
flat angles P-C4'-P energy: -51.818
tors. eta vs tors. theta energy: -62.724
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: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -739.913631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.913631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.913631 (E_RNA)
where:
Base-Base interactions energy: -354.291
where: short stacking energy: -220.531
Base-Backbone interact. energy: -1.475
local terms energy: -384.147695
where:
bonds (distance) C4'-P energy: -82.763
bonds (distance) P-C4' energy: -99.034
flat angles C4'-P-C4' energy: -87.865
flat angles P-C4'-P energy: -56.865
tors. eta vs tors. theta energy: -57.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -573.960865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.960865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.960865 (E_RNA)
where:
Base-Base interactions energy: -254.305
where: short stacking energy: -197.060
Base-Backbone interact. energy: -1.849
local terms energy: -317.806620
where:
bonds (distance) C4'-P energy: -68.225
bonds (distance) P-C4' energy: -93.784
flat angles C4'-P-C4' energy: -72.270
flat angles P-C4'-P energy: -51.666
tors. eta vs tors. theta energy: -31.860
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: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -449.810794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.810794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.810794 (E_RNA)
where:
Base-Base interactions energy: -181.546
where: short stacking energy: -134.052
Base-Backbone interact. energy: 2.960
local terms energy: -271.224438
where:
bonds (distance) C4'-P energy: -68.111
bonds (distance) P-C4' energy: -82.223
flat angles C4'-P-C4' energy: -64.126
flat angles P-C4'-P energy: -52.598
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -442.827981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.827981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.827981 (E_RNA)
where:
Base-Base interactions energy: -159.915
where: short stacking energy: -151.267
Base-Backbone interact. energy: -0.764
local terms energy: -282.148700
where:
bonds (distance) C4'-P energy: -79.475
bonds (distance) P-C4' energy: -73.624
flat angles C4'-P-C4' energy: -86.113
flat angles P-C4'-P energy: -35.204
tors. eta vs tors. theta energy: -7.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -391.852001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.852001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.852001 (E_RNA)
where:
Base-Base interactions energy: -112.811
where: short stacking energy: -98.850
Base-Backbone interact. energy: 1.811
local terms energy: -280.851724
where:
bonds (distance) C4'-P energy: -71.900
bonds (distance) P-C4' energy: -97.492
flat angles C4'-P-C4' energy: -78.335
flat angles P-C4'-P energy: -42.443
tors. eta vs tors. theta energy: 9.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -363.321895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.321895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.321895 (E_RNA)
where:
Base-Base interactions energy: -125.951
where: short stacking energy: -116.785
Base-Backbone interact. energy: -1.269
local terms energy: -236.101648
where:
bonds (distance) C4'-P energy: -73.847
bonds (distance) P-C4' energy: -74.860
flat angles C4'-P-C4' energy: -58.130
flat angles P-C4'-P energy: -33.260
tors. eta vs tors. theta energy: 3.995
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: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1272.306437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.306437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.306437 (E_RNA)
where:
Base-Base interactions energy: -769.809
where: short stacking energy: -472.862
Base-Backbone interact. energy: 0.871
local terms energy: -503.368956
where:
bonds (distance) C4'-P energy: -85.517
bonds (distance) P-C4' energy: -89.226
flat angles C4'-P-C4' energy: -110.090
flat angles P-C4'-P energy: -72.907
tors. eta vs tors. theta energy: -145.629
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: 6
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1086.264448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.264448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.264448 (E_RNA)
where:
Base-Base interactions energy: -644.773
where: short stacking energy: -376.533
Base-Backbone interact. energy: 4.087
local terms energy: -445.578850
where:
bonds (distance) C4'-P energy: -87.280
bonds (distance) P-C4' energy: -94.889
flat angles C4'-P-C4' energy: -94.397
flat angles P-C4'-P energy: -64.841
tors. eta vs tors. theta energy: -104.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -997.974379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.974379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.974379 (E_RNA)
where:
Base-Base interactions energy: -576.423
where: short stacking energy: -338.623
Base-Backbone interact. energy: 1.359
local terms energy: -422.910099
where:
bonds (distance) C4'-P energy: -88.752
bonds (distance) P-C4' energy: -84.372
flat angles C4'-P-C4' energy: -88.788
flat angles P-C4'-P energy: -66.932
tors. eta vs tors. theta energy: -94.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -798.853131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.853131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.853131 (E_RNA)
where:
Base-Base interactions energy: -400.804
where: short stacking energy: -261.819
Base-Backbone interact. energy: -1.311
local terms energy: -396.737510
where:
bonds (distance) C4'-P energy: -106.429
bonds (distance) P-C4' energy: -88.009
flat angles C4'-P-C4' energy: -84.636
flat angles P-C4'-P energy: -56.266
tors. eta vs tors. theta energy: -61.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -703.875112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.875112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.875112 (E_RNA)
where:
Base-Base interactions energy: -361.185
where: short stacking energy: -227.402
Base-Backbone interact. energy: -3.168
local terms energy: -339.522495
where:
bonds (distance) C4'-P energy: -81.515
bonds (distance) P-C4' energy: -89.814
flat angles C4'-P-C4' energy: -81.721
flat angles P-C4'-P energy: -42.729
tors. eta vs tors. theta energy: -43.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -538.177703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.177703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.177703 (E_RNA)
where:
Base-Base interactions energy: -230.452
where: short stacking energy: -161.029
Base-Backbone interact. energy: -1.577
local terms energy: -306.148160
where:
bonds (distance) C4'-P energy: -77.620
bonds (distance) P-C4' energy: -82.883
flat angles C4'-P-C4' energy: -67.718
flat angles P-C4'-P energy: -58.665
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -505.134710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.134710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.134710 (E_RNA)
where:
Base-Base interactions energy: -209.751
where: short stacking energy: -161.734
Base-Backbone interact. energy: -0.659
local terms energy: -294.724074
where:
bonds (distance) C4'-P energy: -82.116
bonds (distance) P-C4' energy: -81.048
flat angles C4'-P-C4' energy: -74.716
flat angles P-C4'-P energy: -41.625
tors. eta vs tors. theta energy: -15.219
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: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -428.858502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.858502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.858502 (E_RNA)
where:
Base-Base interactions energy: -162.028
where: short stacking energy: -148.467
Base-Backbone interact. energy: 2.008
local terms energy: -268.838097
where:
bonds (distance) C4'-P energy: -80.397
bonds (distance) P-C4' energy: -82.546
flat angles C4'-P-C4' energy: -63.669
flat angles P-C4'-P energy: -41.440
tors. eta vs tors. theta energy: -0.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -387.604488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.604488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.604488 (E_RNA)
where:
Base-Base interactions energy: -119.711
where: short stacking energy: -109.062
Base-Backbone interact. energy: 1.780
local terms energy: -269.673959
where:
bonds (distance) C4'-P energy: -76.271
bonds (distance) P-C4' energy: -81.511
flat angles C4'-P-C4' energy: -65.696
flat angles P-C4'-P energy: -44.547
tors. eta vs tors. theta energy: -1.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -356.720793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.720793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.720793 (E_RNA)
where:
Base-Base interactions energy: -130.617
where: short stacking energy: -115.762
Base-Backbone interact. energy: 2.157
local terms energy: -228.260818
where:
bonds (distance) C4'-P energy: -72.436
bonds (distance) P-C4' energy: -66.713
flat angles C4'-P-C4' energy: -70.702
flat angles P-C4'-P energy: -32.242
tors. eta vs tors. theta energy: 13.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1240.458814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.458814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.458814 (E_RNA)
where:
Base-Base interactions energy: -741.495
where: short stacking energy: -450.195
Base-Backbone interact. energy: -0.999
local terms energy: -497.964808
where:
bonds (distance) C4'-P energy: -90.024
bonds (distance) P-C4' energy: -92.398
flat angles C4'-P-C4' energy: -114.405
flat angles P-C4'-P energy: -67.396
tors. eta vs tors. theta energy: -133.742
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: 6
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1155.467257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.467257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.467257 (E_RNA)
where:
Base-Base interactions energy: -690.411
where: short stacking energy: -417.406
Base-Backbone interact. energy: 0.014
local terms energy: -465.069778
where:
bonds (distance) C4'-P energy: -101.588
bonds (distance) P-C4' energy: -81.674
flat angles C4'-P-C4' energy: -100.459
flat angles P-C4'-P energy: -58.623
tors. eta vs tors. theta energy: -122.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -944.660287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.660287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.660287 (E_RNA)
where:
Base-Base interactions energy: -541.151
where: short stacking energy: -322.871
Base-Backbone interact. energy: 1.359
local terms energy: -404.867605
where:
bonds (distance) C4'-P energy: -92.239
bonds (distance) P-C4' energy: -90.682
flat angles C4'-P-C4' energy: -95.157
flat angles P-C4'-P energy: -51.788
tors. eta vs tors. theta energy: -75.001
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: 4
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -771.779083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.779083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.779083 (E_RNA)
where:
Base-Base interactions energy: -418.510
where: short stacking energy: -282.333
Base-Backbone interact. energy: -1.359
local terms energy: -351.910475
where:
bonds (distance) C4'-P energy: -78.491
bonds (distance) P-C4' energy: -97.519
flat angles C4'-P-C4' energy: -71.465
flat angles P-C4'-P energy: -52.987
tors. eta vs tors. theta energy: -51.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -699.647826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.647826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.647826 (E_RNA)
where:
Base-Base interactions energy: -352.429
where: short stacking energy: -200.662
Base-Backbone interact. energy: -2.123
local terms energy: -345.096615
where:
bonds (distance) C4'-P energy: -90.592
bonds (distance) P-C4' energy: -96.444
flat angles C4'-P-C4' energy: -81.914
flat angles P-C4'-P energy: -54.686
tors. eta vs tors. theta energy: -21.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -584.940503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.940503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.940503 (E_RNA)
where:
Base-Base interactions energy: -280.880
where: short stacking energy: -186.109
Base-Backbone interact. energy: -0.654
local terms energy: -303.406178
where:
bonds (distance) C4'-P energy: -85.940
bonds (distance) P-C4' energy: -83.223
flat angles C4'-P-C4' energy: -69.982
flat angles P-C4'-P energy: -47.227
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -526.564271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.564271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.564271 (E_RNA)
where:
Base-Base interactions energy: -233.658
where: short stacking energy: -163.729
Base-Backbone interact. energy: -1.501
local terms energy: -291.405748
where:
bonds (distance) C4'-P energy: -71.576
bonds (distance) P-C4' energy: -81.792
flat angles C4'-P-C4' energy: -65.047
flat angles P-C4'-P energy: -51.987
tors. eta vs tors. theta energy: -21.004
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: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -414.646433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.646433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.646433 (E_RNA)
where:
Base-Base interactions energy: -148.947
where: short stacking energy: -143.365
Base-Backbone interact. energy: 2.982
local terms energy: -268.682170
where:
bonds (distance) C4'-P energy: -75.181
bonds (distance) P-C4' energy: -76.851
flat angles C4'-P-C4' energy: -54.225
flat angles P-C4'-P energy: -49.435
tors. eta vs tors. theta energy: -12.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -396.919282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.919282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.919282 (E_RNA)
where:
Base-Base interactions energy: -143.798
where: short stacking energy: -126.990
Base-Backbone interact. energy: 0.817
local terms energy: -253.939238
where:
bonds (distance) C4'-P energy: -87.963
bonds (distance) P-C4' energy: -71.588
flat angles C4'-P-C4' energy: -62.969
flat angles P-C4'-P energy: -35.177
tors. eta vs tors. theta energy: 3.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -344.814500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.814500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.814500 (E_RNA)
where:
Base-Base interactions energy: -99.246
where: short stacking energy: -89.857
Base-Backbone interact. energy: -1.685
local terms energy: -243.883550
where:
bonds (distance) C4'-P energy: -68.238
bonds (distance) P-C4' energy: -80.764
flat angles C4'-P-C4' energy: -61.302
flat angles P-C4'-P energy: -52.042
tors. eta vs tors. theta energy: 18.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1261.660700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.660700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.660700 (E_RNA)
where:
Base-Base interactions energy: -745.571
where: short stacking energy: -468.369
Base-Backbone interact. energy: -0.590
local terms energy: -515.499777
where:
bonds (distance) C4'-P energy: -100.005
bonds (distance) P-C4' energy: -90.685
flat angles C4'-P-C4' energy: -102.039
flat angles P-C4'-P energy: -76.576
tors. eta vs tors. theta energy: -146.195
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: 2, replica: 6
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1066.512936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.512936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.512936 (E_RNA)
where:
Base-Base interactions energy: -632.789
where: short stacking energy: -364.697
Base-Backbone interact. energy: -0.327
local terms energy: -433.397169
where:
bonds (distance) C4'-P energy: -82.731
bonds (distance) P-C4' energy: -90.059
flat angles C4'-P-C4' energy: -101.010
flat angles P-C4'-P energy: -58.900
tors. eta vs tors. theta energy: -100.697
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: 7
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -949.919067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.919067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.919067 (E_RNA)
where:
Base-Base interactions energy: -525.690
where: short stacking energy: -331.242
Base-Backbone interact. energy: -1.270
local terms energy: -422.958679
where:
bonds (distance) C4'-P energy: -88.051
bonds (distance) P-C4' energy: -96.011
flat angles C4'-P-C4' energy: -85.010
flat angles P-C4'-P energy: -59.526
tors. eta vs tors. theta energy: -94.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -757.331714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.331714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.331714 (E_RNA)
where:
Base-Base interactions energy: -385.967
where: short stacking energy: -219.854
Base-Backbone interact. energy: 2.573
local terms energy: -373.938114
where:
bonds (distance) C4'-P energy: -98.129
bonds (distance) P-C4' energy: -87.672
flat angles C4'-P-C4' energy: -87.133
flat angles P-C4'-P energy: -50.932
tors. eta vs tors. theta energy: -50.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -704.980780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.980780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.980780 (E_RNA)
where:
Base-Base interactions energy: -363.026
where: short stacking energy: -233.810
Base-Backbone interact. energy: -1.780
local terms energy: -340.174549
where:
bonds (distance) C4'-P energy: -80.061
bonds (distance) P-C4' energy: -75.557
flat angles C4'-P-C4' energy: -80.797
flat angles P-C4'-P energy: -49.574
tors. eta vs tors. theta energy: -54.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -634.804174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.804174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.804174 (E_RNA)
where:
Base-Base interactions energy: -285.652
where: short stacking energy: -198.412
Base-Backbone interact. energy: -1.122
local terms energy: -348.030495
where:
bonds (distance) C4'-P energy: -94.777
bonds (distance) P-C4' energy: -91.499
flat angles C4'-P-C4' energy: -79.403
flat angles P-C4'-P energy: -50.134
tors. eta vs tors. theta energy: -32.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -446.615771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.615771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.615771 (E_RNA)
where:
Base-Base interactions energy: -174.717
where: short stacking energy: -152.625
Base-Backbone interact. energy: -2.308
local terms energy: -269.590577
where:
bonds (distance) C4'-P energy: -64.156
bonds (distance) P-C4' energy: -80.678
flat angles C4'-P-C4' energy: -72.749
flat angles P-C4'-P energy: -49.426
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: 8, replica: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -456.847176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.847176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.847176 (E_RNA)
where:
Base-Base interactions energy: -188.900
where: short stacking energy: -140.136
Base-Backbone interact. energy: 1.824
local terms energy: -269.770547
where:
bonds (distance) C4'-P energy: -82.978
bonds (distance) P-C4' energy: -66.612
flat angles C4'-P-C4' energy: -60.195
flat angles P-C4'-P energy: -50.172
tors. eta vs tors. theta energy: -9.814
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: 308
Temperature: 1.300000
Total energy: -392.682839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.682839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.682839 (E_RNA)
where:
Base-Base interactions energy: -127.709
where: short stacking energy: -125.212
Base-Backbone interact. energy: 4.422
local terms energy: -269.396351
where:
bonds (distance) C4'-P energy: -75.042
bonds (distance) P-C4' energy: -78.739
flat angles C4'-P-C4' energy: -68.781
flat angles P-C4'-P energy: -48.467
tors. eta vs tors. theta energy: 1.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -351.464811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.464811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.464811 (E_RNA)
where:
Base-Base interactions energy: -113.709
where: short stacking energy: -107.486
Base-Backbone interact. energy: 0.382
local terms energy: -238.138567
where:
bonds (distance) C4'-P energy: -81.096
bonds (distance) P-C4' energy: -80.688
flat angles C4'-P-C4' energy: -50.746
flat angles P-C4'-P energy: -48.545
tors. eta vs tors. theta energy: 22.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1280.369571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.369571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.369571 (E_RNA)
where:
Base-Base interactions energy: -771.640
where: short stacking energy: -484.515
Base-Backbone interact. energy: -1.509
local terms energy: -507.220555
where:
bonds (distance) C4'-P energy: -101.249
bonds (distance) P-C4' energy: -89.191
flat angles C4'-P-C4' energy: -104.650
flat angles P-C4'-P energy: -63.221
tors. eta vs tors. theta energy: -148.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1058.626623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.626623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.626623 (E_RNA)
where:
Base-Base interactions energy: -593.170
where: short stacking energy: -365.533
Base-Backbone interact. energy: -1.046
local terms energy: -464.410502
where:
bonds (distance) C4'-P energy: -89.508
bonds (distance) P-C4' energy: -89.753
flat angles C4'-P-C4' energy: -102.289
flat angles P-C4'-P energy: -74.241
tors. eta vs tors. theta energy: -108.620
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: 309
Temperature: 1.000000
Total energy: -1010.603283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.603283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.603283 (E_RNA)
where:
Base-Base interactions energy: -568.925
where: short stacking energy: -329.565
Base-Backbone interact. energy: -0.682
local terms energy: -440.996221
where:
bonds (distance) C4'-P energy: -86.744
bonds (distance) P-C4' energy: -95.086
flat angles C4'-P-C4' energy: -99.961
flat angles P-C4'-P energy: -66.509
tors. eta vs tors. theta energy: -92.696
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: 4, replica: 4
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -770.186445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.186445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.186445 (E_RNA)
where:
Base-Base interactions energy: -382.849
where: short stacking energy: -250.234
Base-Backbone interact. energy: -0.912
local terms energy: -386.425237
where:
bonds (distance) C4'-P energy: -79.645
bonds (distance) P-C4' energy: -91.850
flat angles C4'-P-C4' energy: -91.265
flat angles P-C4'-P energy: -63.679
tors. eta vs tors. theta energy: -59.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -710.845402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.845402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.845402 (E_RNA)
where:
Base-Base interactions energy: -361.054
where: short stacking energy: -234.887
Base-Backbone interact. energy: 0.974
local terms energy: -350.765206
where:
bonds (distance) C4'-P energy: -83.026
bonds (distance) P-C4' energy: -96.099
flat angles C4'-P-C4' energy: -73.589
flat angles P-C4'-P energy: -55.557
tors. eta vs tors. theta energy: -42.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -587.627666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.627666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.627666 (E_RNA)
where:
Base-Base interactions energy: -281.424
where: short stacking energy: -177.955
Base-Backbone interact. energy: 0.737
local terms energy: -306.940294
where:
bonds (distance) C4'-P energy: -64.175
bonds (distance) P-C4' energy: -88.955
flat angles C4'-P-C4' energy: -68.048
flat angles P-C4'-P energy: -58.532
tors. eta vs tors. theta energy: -27.230
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: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -447.968600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.968600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.968600 (E_RNA)
where:
Base-Base interactions energy: -183.834
where: short stacking energy: -154.520
Base-Backbone interact. energy: 0.141
local terms energy: -264.275474
where:
bonds (distance) C4'-P energy: -82.562
bonds (distance) P-C4' energy: -77.710
flat angles C4'-P-C4' energy: -56.459
flat angles P-C4'-P energy: -38.016
tors. eta vs tors. theta energy: -9.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -416.900693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.900693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.900693 (E_RNA)
where:
Base-Base interactions energy: -140.164
where: short stacking energy: -116.920
Base-Backbone interact. energy: 0.066
local terms energy: -276.803243
where:
bonds (distance) C4'-P energy: -98.815
bonds (distance) P-C4' energy: -85.168
flat angles C4'-P-C4' energy: -55.711
flat angles P-C4'-P energy: -35.815
tors. eta vs tors. theta energy: -1.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -376.139208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.139208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.139208 (E_RNA)
where:
Base-Base interactions energy: -127.054
where: short stacking energy: -120.526
Base-Backbone interact. energy: 4.610
local terms energy: -253.694793
where:
bonds (distance) C4'-P energy: -67.355
bonds (distance) P-C4' energy: -77.013
flat angles C4'-P-C4' energy: -65.480
flat angles P-C4'-P energy: -46.124
tors. eta vs tors. theta energy: 2.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -372.513325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.513325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.513325 (E_RNA)
where:
Base-Base interactions energy: -125.155
where: short stacking energy: -117.578
Base-Backbone interact. energy: -0.178
local terms energy: -247.179734
where:
bonds (distance) C4'-P energy: -68.770
bonds (distance) P-C4' energy: -80.687
flat angles C4'-P-C4' energy: -55.932
flat angles P-C4'-P energy: -46.310
tors. eta vs tors. theta energy: 4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1279.577439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.577439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.577439 (E_RNA)
where:
Base-Base interactions energy: -771.047
where: short stacking energy: -464.493
Base-Backbone interact. energy: -0.842
local terms energy: -507.688372
where:
bonds (distance) C4'-P energy: -81.075
bonds (distance) P-C4' energy: -93.207
flat angles C4'-P-C4' energy: -105.817
flat angles P-C4'-P energy: -82.886
tors. eta vs tors. theta energy: -144.703
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: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1015.340777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.340777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.340777 (E_RNA)
where:
Base-Base interactions energy: -574.583
where: short stacking energy: -363.781
Base-Backbone interact. energy: -0.746
local terms energy: -440.011885
where:
bonds (distance) C4'-P energy: -81.707
bonds (distance) P-C4' energy: -96.327
flat angles C4'-P-C4' energy: -108.065
flat angles P-C4'-P energy: -62.643
tors. eta vs tors. theta energy: -91.270
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: 310
Temperature: 1.000000
Total energy: -997.436829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.436829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.436829 (E_RNA)
where:
Base-Base interactions energy: -579.409
where: short stacking energy: -329.824
Base-Backbone interact. energy: -0.934
local terms energy: -417.094440
where:
bonds (distance) C4'-P energy: -75.879
bonds (distance) P-C4' energy: -89.476
flat angles C4'-P-C4' energy: -92.955
flat angles P-C4'-P energy: -62.157
tors. eta vs tors. theta energy: -96.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -726.249139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.249139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.249139 (E_RNA)
where:
Base-Base interactions energy: -354.245
where: short stacking energy: -256.179
Base-Backbone interact. energy: -2.445
local terms energy: -369.559646
where:
bonds (distance) C4'-P energy: -85.450
bonds (distance) P-C4' energy: -84.919
flat angles C4'-P-C4' energy: -86.141
flat angles P-C4'-P energy: -53.824
tors. eta vs tors. theta energy: -59.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -729.724361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.724361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.724361 (E_RNA)
where:
Base-Base interactions energy: -357.819
where: short stacking energy: -230.958
Base-Backbone interact. energy: -0.782
local terms energy: -371.123347
where:
bonds (distance) C4'-P energy: -87.564
bonds (distance) P-C4' energy: -95.591
flat angles C4'-P-C4' energy: -88.080
flat angles P-C4'-P energy: -44.579
tors. eta vs tors. theta energy: -55.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -612.313910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.313910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.313910 (E_RNA)
where:
Base-Base interactions energy: -291.517
where: short stacking energy: -198.067
Base-Backbone interact. energy: 0.321
local terms energy: -321.118257
where:
bonds (distance) C4'-P energy: -82.812
bonds (distance) P-C4' energy: -97.065
flat angles C4'-P-C4' energy: -72.609
flat angles P-C4'-P energy: -41.396
tors. eta vs tors. theta energy: -27.237
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: 7, replica: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -419.538654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.538654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.538654 (E_RNA)
where:
Base-Base interactions energy: -142.672
where: short stacking energy: -131.094
Base-Backbone interact. energy: 0.443
local terms energy: -277.309809
where:
bonds (distance) C4'-P energy: -76.093
bonds (distance) P-C4' energy: -91.672
flat angles C4'-P-C4' energy: -71.495
flat angles P-C4'-P energy: -25.692
tors. eta vs tors. theta energy: -12.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -424.166608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.166608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.166608 (E_RNA)
where:
Base-Base interactions energy: -138.816
where: short stacking energy: -135.812
Base-Backbone interact. energy: 0.778
local terms energy: -286.128596
where:
bonds (distance) C4'-P energy: -76.611
bonds (distance) P-C4' energy: -90.637
flat angles C4'-P-C4' energy: -84.709
flat angles P-C4'-P energy: -43.783
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: 9, replica: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -424.559971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.559971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.559971 (E_RNA)
where:
Base-Base interactions energy: -141.863
where: short stacking energy: -128.237
Base-Backbone interact. energy: -0.374
local terms energy: -282.322540
where:
bonds (distance) C4'-P energy: -76.752
bonds (distance) P-C4' energy: -87.571
flat angles C4'-P-C4' energy: -65.932
flat angles P-C4'-P energy: -52.232
tors. eta vs tors. theta energy: 0.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -373.566776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.566776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.566776 (E_RNA)
where:
Base-Base interactions energy: -123.627
where: short stacking energy: -90.541
Base-Backbone interact. energy: 4.008
local terms energy: -253.947983
where:
bonds (distance) C4'-P energy: -77.874
bonds (distance) P-C4' energy: -88.999
flat angles C4'-P-C4' energy: -67.136
flat angles P-C4'-P energy: -26.977
tors. eta vs tors. theta energy: 7.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1286.246402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.246402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.246402 (E_RNA)
where:
Base-Base interactions energy: -760.482
where: short stacking energy: -453.813
Base-Backbone interact. energy: 0.411
local terms energy: -526.175339
where:
bonds (distance) C4'-P energy: -88.083
bonds (distance) P-C4' energy: -102.531
flat angles C4'-P-C4' energy: -109.458
flat angles P-C4'-P energy: -72.498
tors. eta vs tors. theta energy: -153.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1064.598716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.598716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.598716 (E_RNA)
where:
Base-Base interactions energy: -619.262
where: short stacking energy: -353.011
Base-Backbone interact. energy: -0.301
local terms energy: -445.035518
where:
bonds (distance) C4'-P energy: -98.541
bonds (distance) P-C4' energy: -87.786
flat angles C4'-P-C4' energy: -99.003
flat angles P-C4'-P energy: -57.427
tors. eta vs tors. theta energy: -102.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -948.442740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.442740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.442740 (E_RNA)
where:
Base-Base interactions energy: -537.184
where: short stacking energy: -330.728
Base-Backbone interact. energy: 3.518
local terms energy: -414.776530
where:
bonds (distance) C4'-P energy: -85.135
bonds (distance) P-C4' energy: -98.396
flat angles C4'-P-C4' energy: -89.796
flat angles P-C4'-P energy: -58.455
tors. eta vs tors. theta energy: -82.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -779.066272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.066272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.066272 (E_RNA)
where:
Base-Base interactions energy: -393.661
where: short stacking energy: -255.158
Base-Backbone interact. energy: 2.783
local terms energy: -388.188174
where:
bonds (distance) C4'-P energy: -81.739
bonds (distance) P-C4' energy: -93.556
flat angles C4'-P-C4' energy: -89.453
flat angles P-C4'-P energy: -58.392
tors. eta vs tors. theta energy: -65.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -679.711374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.711374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.711374 (E_RNA)
where:
Base-Base interactions energy: -356.624
where: short stacking energy: -248.545
Base-Backbone interact. energy: -1.795
local terms energy: -321.292221
where:
bonds (distance) C4'-P energy: -80.529
bonds (distance) P-C4' energy: -79.099
flat angles C4'-P-C4' energy: -80.929
flat angles P-C4'-P energy: -43.782
tors. eta vs tors. theta energy: -36.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -598.833529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.833529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.833529 (E_RNA)
where:
Base-Base interactions energy: -264.175
where: short stacking energy: -185.765
Base-Backbone interact. energy: -0.302
local terms energy: -334.357103
where:
bonds (distance) C4'-P energy: -82.469
bonds (distance) P-C4' energy: -93.501
flat angles C4'-P-C4' energy: -89.718
flat angles P-C4'-P energy: -44.326
tors. eta vs tors. theta energy: -24.343
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: 7, replica: 5
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -469.084196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.084196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.084196 (E_RNA)
where:
Base-Base interactions energy: -183.164
where: short stacking energy: -154.512
Base-Backbone interact. energy: -0.600
local terms energy: -285.320901
where:
bonds (distance) C4'-P energy: -61.707
bonds (distance) P-C4' energy: -91.750
flat angles C4'-P-C4' energy: -81.802
flat angles P-C4'-P energy: -35.399
tors. eta vs tors. theta energy: -14.663
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: 311
Temperature: 1.250000
Total energy: -408.542854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.542854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.542854 (E_RNA)
where:
Base-Base interactions energy: -135.670
where: short stacking energy: -112.915
Base-Backbone interact. energy: 7.654
local terms energy: -280.527119
where:
bonds (distance) C4'-P energy: -79.832
bonds (distance) P-C4' energy: -75.498
flat angles C4'-P-C4' energy: -77.145
flat angles P-C4'-P energy: -40.447
tors. eta vs tors. theta energy: -7.605
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: 3
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -393.828933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.828933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.828933 (E_RNA)
where:
Base-Base interactions energy: -121.419
where: short stacking energy: -114.320
Base-Backbone interact. energy: 1.646
local terms energy: -274.056128
where:
bonds (distance) C4'-P energy: -74.236
bonds (distance) P-C4' energy: -96.442
flat angles C4'-P-C4' energy: -60.146
flat angles P-C4'-P energy: -55.749
tors. eta vs tors. theta energy: 12.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -351.355039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.355039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.355039 (E_RNA)
where:
Base-Base interactions energy: -115.336
where: short stacking energy: -110.271
Base-Backbone interact. energy: 1.741
local terms energy: -237.759715
where:
bonds (distance) C4'-P energy: -71.109
bonds (distance) P-C4' energy: -78.252
flat angles C4'-P-C4' energy: -57.363
flat angles P-C4'-P energy: -36.904
tors. eta vs tors. theta energy: 5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1256.527884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.527884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.527884 (E_RNA)
where:
Base-Base interactions energy: -758.398
where: short stacking energy: -472.163
Base-Backbone interact. energy: -0.423
local terms energy: -497.707143
where:
bonds (distance) C4'-P energy: -94.308
bonds (distance) P-C4' energy: -98.532
flat angles C4'-P-C4' energy: -107.986
flat angles P-C4'-P energy: -65.971
tors. eta vs tors. theta energy: -130.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1058.228861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.228861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.228861 (E_RNA)
where:
Base-Base interactions energy: -608.779
where: short stacking energy: -379.367
Base-Backbone interact. energy: -0.773
local terms energy: -448.677295
where:
bonds (distance) C4'-P energy: -89.100
bonds (distance) P-C4' energy: -95.252
flat angles C4'-P-C4' energy: -96.212
flat angles P-C4'-P energy: -63.244
tors. eta vs tors. theta energy: -104.870
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: 7
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -929.359623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.359623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.359623 (E_RNA)
where:
Base-Base interactions energy: -493.990
where: short stacking energy: -330.063
Base-Backbone interact. energy: 0.499
local terms energy: -435.868144
where:
bonds (distance) C4'-P energy: -93.026
bonds (distance) P-C4' energy: -92.185
flat angles C4'-P-C4' energy: -99.198
flat angles P-C4'-P energy: -64.416
tors. eta vs tors. theta energy: -87.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -810.313591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.313591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.313591 (E_RNA)
where:
Base-Base interactions energy: -416.563
where: short stacking energy: -260.910
Base-Backbone interact. energy: -1.948
local terms energy: -391.802649
where:
bonds (distance) C4'-P energy: -89.571
bonds (distance) P-C4' energy: -97.802
flat angles C4'-P-C4' energy: -87.530
flat angles P-C4'-P energy: -55.661
tors. eta vs tors. theta energy: -61.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -649.171909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.171909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.171909 (E_RNA)
where:
Base-Base interactions energy: -311.784
where: short stacking energy: -207.557
Base-Backbone interact. energy: 3.255
local terms energy: -340.643391
where:
bonds (distance) C4'-P energy: -87.072
bonds (distance) P-C4' energy: -87.709
flat angles C4'-P-C4' energy: -87.643
flat angles P-C4'-P energy: -50.185
tors. eta vs tors. theta energy: -28.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -576.014158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.014158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.014158 (E_RNA)
where:
Base-Base interactions energy: -260.778
where: short stacking energy: -189.182
Base-Backbone interact. energy: -1.614
local terms energy: -313.622334
where:
bonds (distance) C4'-P energy: -79.442
bonds (distance) P-C4' energy: -91.985
flat angles C4'-P-C4' energy: -64.951
flat angles P-C4'-P energy: -48.784
tors. eta vs tors. theta energy: -28.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -475.226603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.226603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.226603 (E_RNA)
where:
Base-Base interactions energy: -176.827
where: short stacking energy: -148.789
Base-Backbone interact. energy: 1.190
local terms energy: -299.589828
where:
bonds (distance) C4'-P energy: -88.637
bonds (distance) P-C4' energy: -79.341
flat angles C4'-P-C4' energy: -72.055
flat angles P-C4'-P energy: -48.107
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: 312
Temperature: 1.250000
Total energy: -394.186694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.186694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.186694 (E_RNA)
where:
Base-Base interactions energy: -127.215
where: short stacking energy: -122.504
Base-Backbone interact. energy: 3.598
local terms energy: -270.569803
where:
bonds (distance) C4'-P energy: -89.853
bonds (distance) P-C4' energy: -80.852
flat angles C4'-P-C4' energy: -74.256
flat angles P-C4'-P energy: -27.021
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: 9, replica: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -363.331455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.331455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.331455 (E_RNA)
where:
Base-Base interactions energy: -104.805
where: short stacking energy: -92.852
Base-Backbone interact. energy: -0.544
local terms energy: -257.982415
where:
bonds (distance) C4'-P energy: -89.691
bonds (distance) P-C4' energy: -75.439
flat angles C4'-P-C4' energy: -72.830
flat angles P-C4'-P energy: -37.361
tors. eta vs tors. theta energy: 17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -343.661992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.661992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.661992 (E_RNA)
where:
Base-Base interactions energy: -112.133
where: short stacking energy: -98.702
Base-Backbone interact. energy: 3.836
local terms energy: -235.364136
where:
bonds (distance) C4'-P energy: -69.001
bonds (distance) P-C4' energy: -85.292
flat angles C4'-P-C4' energy: -48.731
flat angles P-C4'-P energy: -45.087
tors. eta vs tors. theta energy: 12.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1244.586611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.586611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.586611 (E_RNA)
where:
Base-Base interactions energy: -724.904
where: short stacking energy: -437.787
Base-Backbone interact. energy: -0.887
local terms energy: -518.795342
where:
bonds (distance) C4'-P energy: -97.897
bonds (distance) P-C4' energy: -103.540
flat angles C4'-P-C4' energy: -106.161
flat angles P-C4'-P energy: -74.969
tors. eta vs tors. theta energy: -136.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1085.453533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.453533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.453533 (E_RNA)
where:
Base-Base interactions energy: -627.519
where: short stacking energy: -386.660
Base-Backbone interact. energy: -0.964
local terms energy: -456.970455
where:
bonds (distance) C4'-P energy: -83.949
bonds (distance) P-C4' energy: -103.302
flat angles C4'-P-C4' energy: -102.051
flat angles P-C4'-P energy: -59.602
tors. eta vs tors. theta energy: -108.066
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: 313
Temperature: 1.000000
Total energy: -893.159783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.159783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.159783 (E_RNA)
where:
Base-Base interactions energy: -493.606
where: short stacking energy: -317.319
Base-Backbone interact. energy: -0.923
local terms energy: -398.630936
where:
bonds (distance) C4'-P energy: -78.010
bonds (distance) P-C4' energy: -92.379
flat angles C4'-P-C4' energy: -93.753
flat angles P-C4'-P energy: -57.693
tors. eta vs tors. theta energy: -76.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -767.584290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.584290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.584290 (E_RNA)
where:
Base-Base interactions energy: -412.293
where: short stacking energy: -270.356
Base-Backbone interact. energy: -0.843
local terms energy: -354.448832
where:
bonds (distance) C4'-P energy: -81.745
bonds (distance) P-C4' energy: -87.526
flat angles C4'-P-C4' energy: -81.450
flat angles P-C4'-P energy: -55.557
tors. eta vs tors. theta energy: -48.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -652.071993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.071993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.071993 (E_RNA)
where:
Base-Base interactions energy: -327.534
where: short stacking energy: -215.523
Base-Backbone interact. energy: 0.211
local terms energy: -324.749595
where:
bonds (distance) C4'-P energy: -84.139
bonds (distance) P-C4' energy: -91.678
flat angles C4'-P-C4' energy: -75.199
flat angles P-C4'-P energy: -42.683
tors. eta vs tors. theta energy: -31.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -602.247876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.247876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.247876 (E_RNA)
where:
Base-Base interactions energy: -279.785
where: short stacking energy: -188.767
Base-Backbone interact. energy: -1.105
local terms energy: -321.357368
where:
bonds (distance) C4'-P energy: -87.877
bonds (distance) P-C4' energy: -84.328
flat angles C4'-P-C4' energy: -78.382
flat angles P-C4'-P energy: -60.437
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -469.582528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.582528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.582528 (E_RNA)
where:
Base-Base interactions energy: -173.451
where: short stacking energy: -153.554
Base-Backbone interact. energy: -1.643
local terms energy: -294.489252
where:
bonds (distance) C4'-P energy: -77.782
bonds (distance) P-C4' energy: -91.352
flat angles C4'-P-C4' energy: -78.135
flat angles P-C4'-P energy: -22.552
tors. eta vs tors. theta energy: -24.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -406.278557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.278557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.278557 (E_RNA)
where:
Base-Base interactions energy: -129.656
where: short stacking energy: -110.325
Base-Backbone interact. energy: -0.950
local terms energy: -275.672024
where:
bonds (distance) C4'-P energy: -86.980
bonds (distance) P-C4' energy: -85.840
flat angles C4'-P-C4' energy: -69.638
flat angles P-C4'-P energy: -40.762
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: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -398.465064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.465064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.465064 (E_RNA)
where:
Base-Base interactions energy: -156.987
where: short stacking energy: -141.251
Base-Backbone interact. energy: -0.722
local terms energy: -240.755506
where:
bonds (distance) C4'-P energy: -66.428
bonds (distance) P-C4' energy: -66.111
flat angles C4'-P-C4' energy: -70.631
flat angles P-C4'-P energy: -35.069
tors. eta vs tors. theta energy: -2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -362.969270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.969270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.969270 (E_RNA)
where:
Base-Base interactions energy: -117.276
where: short stacking energy: -94.705
Base-Backbone interact. energy: -0.617
local terms energy: -245.076551
where:
bonds (distance) C4'-P energy: -83.093
bonds (distance) P-C4' energy: -80.883
flat angles C4'-P-C4' energy: -69.785
flat angles P-C4'-P energy: -40.943
tors. eta vs tors. theta energy: 29.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1284.379841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.379841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.379841 (E_RNA)
where:
Base-Base interactions energy: -750.709
where: short stacking energy: -465.999
Base-Backbone interact. energy: -0.228
local terms energy: -533.443088
where:
bonds (distance) C4'-P energy: -92.342
bonds (distance) P-C4' energy: -104.757
flat angles C4'-P-C4' energy: -114.022
flat angles P-C4'-P energy: -66.664
tors. eta vs tors. theta energy: -155.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1031.737330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.737330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.737330 (E_RNA)
where:
Base-Base interactions energy: -558.602
where: short stacking energy: -367.298
Base-Backbone interact. energy: -0.199
local terms energy: -472.935530
where:
bonds (distance) C4'-P energy: -85.624
bonds (distance) P-C4' energy: -101.378
flat angles C4'-P-C4' energy: -100.852
flat angles P-C4'-P energy: -74.752
tors. eta vs tors. theta energy: -110.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -878.065164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.065164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.065164 (E_RNA)
where:
Base-Base interactions energy: -485.934
where: short stacking energy: -335.557
Base-Backbone interact. energy: -1.844
local terms energy: -390.286995
where:
bonds (distance) C4'-P energy: -76.830
bonds (distance) P-C4' energy: -81.393
flat angles C4'-P-C4' energy: -102.582
flat angles P-C4'-P energy: -47.164
tors. eta vs tors. theta energy: -82.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -767.117333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.117333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.117333 (E_RNA)
where:
Base-Base interactions energy: -396.965
where: short stacking energy: -248.560
Base-Backbone interact. energy: 0.363
local terms energy: -370.515963
where:
bonds (distance) C4'-P energy: -85.590
bonds (distance) P-C4' energy: -86.489
flat angles C4'-P-C4' energy: -84.617
flat angles P-C4'-P energy: -60.013
tors. eta vs tors. theta energy: -53.806
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: 5, replica: 9
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -631.977118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.977118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.977118 (E_RNA)
where:
Base-Base interactions energy: -304.202
where: short stacking energy: -205.303
Base-Backbone interact. energy: -1.736
local terms energy: -326.038568
where:
bonds (distance) C4'-P energy: -74.689
bonds (distance) P-C4' energy: -82.367
flat angles C4'-P-C4' energy: -94.592
flat angles P-C4'-P energy: -49.975
tors. eta vs tors. theta energy: -24.415
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: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -617.584094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.584094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.584094 (E_RNA)
where:
Base-Base interactions energy: -323.077
where: short stacking energy: -207.978
Base-Backbone interact. energy: 1.928
local terms energy: -296.435169
where:
bonds (distance) C4'-P energy: -82.693
bonds (distance) P-C4' energy: -88.441
flat angles C4'-P-C4' energy: -65.048
flat angles P-C4'-P energy: -32.543
tors. eta vs tors. theta energy: -27.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -425.657995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.657995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.657995 (E_RNA)
where:
Base-Base interactions energy: -161.483
where: short stacking energy: -126.472
Base-Backbone interact. energy: -1.170
local terms energy: -263.005043
where:
bonds (distance) C4'-P energy: -68.141
bonds (distance) P-C4' energy: -89.560
flat angles C4'-P-C4' energy: -75.813
flat angles P-C4'-P energy: -38.884
tors. eta vs tors. theta energy: 9.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -413.962255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.962255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.962255 (E_RNA)
where:
Base-Base interactions energy: -129.057
where: short stacking energy: -108.354
Base-Backbone interact. energy: 3.615
local terms energy: -288.520216
where:
bonds (distance) C4'-P energy: -89.433
bonds (distance) P-C4' energy: -89.098
flat angles C4'-P-C4' energy: -74.616
flat angles P-C4'-P energy: -40.775
tors. eta vs tors. theta energy: 5.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -384.593503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.593503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.593503 (E_RNA)
where:
Base-Base interactions energy: -129.989
where: short stacking energy: -114.950
Base-Backbone interact. energy: 3.776
local terms energy: -258.380490
where:
bonds (distance) C4'-P energy: -72.056
bonds (distance) P-C4' energy: -90.008
flat angles C4'-P-C4' energy: -66.247
flat angles P-C4'-P energy: -34.116
tors. eta vs tors. theta energy: 4.047
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: 3
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -349.234706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.234706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.234706 (E_RNA)
where:
Base-Base interactions energy: -111.798
where: short stacking energy: -101.694
Base-Backbone interact. energy: 1.089
local terms energy: -238.525216
where:
bonds (distance) C4'-P energy: -72.782
bonds (distance) P-C4' energy: -73.301
flat angles C4'-P-C4' energy: -57.367
flat angles P-C4'-P energy: -38.696
tors. eta vs tors. theta energy: 3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1266.019850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.019850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.019850 (E_RNA)
where:
Base-Base interactions energy: -768.747
where: short stacking energy: -456.162
Base-Backbone interact. energy: -0.266
local terms energy: -497.006849
where:
bonds (distance) C4'-P energy: -98.030
bonds (distance) P-C4' energy: -92.392
flat angles C4'-P-C4' energy: -101.394
flat angles P-C4'-P energy: -65.160
tors. eta vs tors. theta energy: -140.031
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: 6
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1028.572481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.572481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.572481 (E_RNA)
where:
Base-Base interactions energy: -573.281
where: short stacking energy: -372.499
Base-Backbone interact. energy: -1.121
local terms energy: -454.170371
where:
bonds (distance) C4'-P energy: -98.615
bonds (distance) P-C4' energy: -97.795
flat angles C4'-P-C4' energy: -104.827
flat angles P-C4'-P energy: -50.689
tors. eta vs tors. theta energy: -102.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -881.433598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.433598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.433598 (E_RNA)
where:
Base-Base interactions energy: -462.082
where: short stacking energy: -312.835
Base-Backbone interact. energy: -0.002
local terms energy: -419.349086
where:
bonds (distance) C4'-P energy: -77.059
bonds (distance) P-C4' energy: -90.071
flat angles C4'-P-C4' energy: -99.676
flat angles P-C4'-P energy: -62.326
tors. eta vs tors. theta energy: -90.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -781.782269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.782269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.782269 (E_RNA)
where:
Base-Base interactions energy: -431.059
where: short stacking energy: -285.115
Base-Backbone interact. energy: -0.792
local terms energy: -349.931436
where:
bonds (distance) C4'-P energy: -67.196
bonds (distance) P-C4' energy: -79.858
flat angles C4'-P-C4' energy: -85.653
flat angles P-C4'-P energy: -51.945
tors. eta vs tors. theta energy: -65.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -662.660271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.660271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.660271 (E_RNA)
where:
Base-Base interactions energy: -298.283
where: short stacking energy: -198.310
Base-Backbone interact. energy: 0.295
local terms energy: -364.672735
where:
bonds (distance) C4'-P energy: -91.434
bonds (distance) P-C4' energy: -84.604
flat angles C4'-P-C4' energy: -94.731
flat angles P-C4'-P energy: -52.125
tors. eta vs tors. theta energy: -41.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -608.341542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.341542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.341542 (E_RNA)
where:
Base-Base interactions energy: -291.808
where: short stacking energy: -175.423
Base-Backbone interact. energy: -0.669
local terms energy: -315.864173
where:
bonds (distance) C4'-P energy: -86.240
bonds (distance) P-C4' energy: -93.510
flat angles C4'-P-C4' energy: -82.217
flat angles P-C4'-P energy: -34.781
tors. eta vs tors. theta energy: -19.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -492.887824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.887824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.887824 (E_RNA)
where:
Base-Base interactions energy: -182.030
where: short stacking energy: -138.203
Base-Backbone interact. energy: -2.041
local terms energy: -308.816770
where:
bonds (distance) C4'-P energy: -85.016
bonds (distance) P-C4' energy: -84.853
flat angles C4'-P-C4' energy: -80.721
flat angles P-C4'-P energy: -48.189
tors. eta vs tors. theta energy: -10.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -397.944780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.944780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.944780 (E_RNA)
where:
Base-Base interactions energy: -135.978
where: short stacking energy: -121.562
Base-Backbone interact. energy: -0.597
local terms energy: -261.369864
where:
bonds (distance) C4'-P energy: -73.512
bonds (distance) P-C4' energy: -81.242
flat angles C4'-P-C4' energy: -75.869
flat angles P-C4'-P energy: -47.734
tors. eta vs tors. theta energy: 16.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -377.211151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.211151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.211151 (E_RNA)
where:
Base-Base interactions energy: -117.285
where: short stacking energy: -101.720
Base-Backbone interact. energy: -1.766
local terms energy: -258.160386
where:
bonds (distance) C4'-P energy: -73.270
bonds (distance) P-C4' energy: -76.786
flat angles C4'-P-C4' energy: -54.517
flat angles P-C4'-P energy: -50.375
tors. eta vs tors. theta energy: -3.212
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: 10, replica: 3
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -358.663177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.663177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.663177 (E_RNA)
where:
Base-Base interactions energy: -125.390
where: short stacking energy: -114.832
Base-Backbone interact. energy: 0.004
local terms energy: -233.277318
where:
bonds (distance) C4'-P energy: -72.938
bonds (distance) P-C4' energy: -74.761
flat angles C4'-P-C4' energy: -52.135
flat angles P-C4'-P energy: -40.186
tors. eta vs tors. theta energy: 6.743
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: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1246.706132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.706132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.706132 (E_RNA)
where:
Base-Base interactions energy: -750.013
where: short stacking energy: -446.553
Base-Backbone interact. energy: 0.806
local terms energy: -497.498496
where:
bonds (distance) C4'-P energy: -88.696
bonds (distance) P-C4' energy: -98.282
flat angles C4'-P-C4' energy: -108.659
flat angles P-C4'-P energy: -64.121
tors. eta vs tors. theta energy: -137.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1020.651600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.651600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.651600 (E_RNA)
where:
Base-Base interactions energy: -575.830
where: short stacking energy: -336.589
Base-Backbone interact. energy: -0.629
local terms energy: -444.191951
where:
bonds (distance) C4'-P energy: -87.254
bonds (distance) P-C4' energy: -91.799
flat angles C4'-P-C4' energy: -97.482
flat angles P-C4'-P energy: -68.922
tors. eta vs tors. theta energy: -98.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -853.181822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.181822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.181822 (E_RNA)
where:
Base-Base interactions energy: -468.578
where: short stacking energy: -278.477
Base-Backbone interact. energy: 0.198
local terms energy: -384.801774
where:
bonds (distance) C4'-P energy: -84.594
bonds (distance) P-C4' energy: -85.285
flat angles C4'-P-C4' energy: -94.496
flat angles P-C4'-P energy: -57.814
tors. eta vs tors. theta energy: -62.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -798.154503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.154503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.154503 (E_RNA)
where:
Base-Base interactions energy: -419.690
where: short stacking energy: -262.361
Base-Backbone interact. energy: -1.813
local terms energy: -376.651344
where:
bonds (distance) C4'-P energy: -87.911
bonds (distance) P-C4' energy: -91.225
flat angles C4'-P-C4' energy: -81.600
flat angles P-C4'-P energy: -60.965
tors. eta vs tors. theta energy: -54.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -657.752714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.752714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.752714 (E_RNA)
where:
Base-Base interactions energy: -321.089
where: short stacking energy: -208.019
Base-Backbone interact. energy: -0.843
local terms energy: -335.821103
where:
bonds (distance) C4'-P energy: -79.747
bonds (distance) P-C4' energy: -77.204
flat angles C4'-P-C4' energy: -76.275
flat angles P-C4'-P energy: -58.170
tors. eta vs tors. theta energy: -44.424
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: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -628.337699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.337699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.337699 (E_RNA)
where:
Base-Base interactions energy: -321.731
where: short stacking energy: -180.550
Base-Backbone interact. energy: 1.361
local terms energy: -307.967947
where:
bonds (distance) C4'-P energy: -67.472
bonds (distance) P-C4' energy: -77.947
flat angles C4'-P-C4' energy: -75.937
flat angles P-C4'-P energy: -48.406
tors. eta vs tors. theta energy: -38.206
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: 7, replica: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -460.574428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.574428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.574428 (E_RNA)
where:
Base-Base interactions energy: -167.393
where: short stacking energy: -134.309
Base-Backbone interact. energy: 8.282
local terms energy: -301.463493
where:
bonds (distance) C4'-P energy: -80.422
bonds (distance) P-C4' energy: -76.636
flat angles C4'-P-C4' energy: -77.213
flat angles P-C4'-P energy: -52.383
tors. eta vs tors. theta energy: -14.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -406.877518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.877518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.877518 (E_RNA)
where:
Base-Base interactions energy: -136.875
where: short stacking energy: -121.203
Base-Backbone interact. energy: -0.877
local terms energy: -269.125632
where:
bonds (distance) C4'-P energy: -89.772
bonds (distance) P-C4' energy: -79.294
flat angles C4'-P-C4' energy: -69.978
flat angles P-C4'-P energy: -36.737
tors. eta vs tors. theta energy: 6.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -386.463457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.463457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.463457 (E_RNA)
where:
Base-Base interactions energy: -101.585
where: short stacking energy: -88.429
Base-Backbone interact. energy: -1.250
local terms energy: -283.629010
where:
bonds (distance) C4'-P energy: -76.051
bonds (distance) P-C4' energy: -80.069
flat angles C4'-P-C4' energy: -82.883
flat angles P-C4'-P energy: -49.974
tors. eta vs tors. theta energy: 5.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -363.659117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.659117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.659117 (E_RNA)
where:
Base-Base interactions energy: -129.315
where: short stacking energy: -108.609
Base-Backbone interact. energy: 1.399
local terms energy: -235.743313
where:
bonds (distance) C4'-P energy: -81.828
bonds (distance) P-C4' energy: -77.983
flat angles C4'-P-C4' energy: -55.312
flat angles P-C4'-P energy: -41.930
tors. eta vs tors. theta energy: 21.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1260.535920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.535920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.535920 (E_RNA)
where:
Base-Base interactions energy: -767.436
where: short stacking energy: -469.483
Base-Backbone interact. energy: -0.751
local terms energy: -492.348173
where:
bonds (distance) C4'-P energy: -92.027
bonds (distance) P-C4' energy: -94.502
flat angles C4'-P-C4' energy: -102.051
flat angles P-C4'-P energy: -66.308
tors. eta vs tors. theta energy: -137.460
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: 6
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1037.721858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.721858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.721858 (E_RNA)
where:
Base-Base interactions energy: -605.715
where: short stacking energy: -364.112
Base-Backbone interact. energy: -0.977
local terms energy: -431.029730
where:
bonds (distance) C4'-P energy: -74.505
bonds (distance) P-C4' energy: -97.770
flat angles C4'-P-C4' energy: -96.681
flat angles P-C4'-P energy: -61.389
tors. eta vs tors. theta energy: -100.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -874.327392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.327392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.327392 (E_RNA)
where:
Base-Base interactions energy: -481.109
where: short stacking energy: -285.745
Base-Backbone interact. energy: -2.120
local terms energy: -391.098187
where:
bonds (distance) C4'-P energy: -83.762
bonds (distance) P-C4' energy: -101.105
flat angles C4'-P-C4' energy: -94.280
flat angles P-C4'-P energy: -55.161
tors. eta vs tors. theta energy: -56.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -848.868657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.868657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.868657 (E_RNA)
where:
Base-Base interactions energy: -453.382
where: short stacking energy: -284.693
Base-Backbone interact. energy: -2.069
local terms energy: -393.417759
where:
bonds (distance) C4'-P energy: -88.225
bonds (distance) P-C4' energy: -89.936
flat angles C4'-P-C4' energy: -85.658
flat angles P-C4'-P energy: -55.537
tors. eta vs tors. theta energy: -74.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -652.045025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.045025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.045025 (E_RNA)
where:
Base-Base interactions energy: -345.049
where: short stacking energy: -210.697
Base-Backbone interact. energy: 2.898
local terms energy: -309.894184
where:
bonds (distance) C4'-P energy: -74.714
bonds (distance) P-C4' energy: -87.501
flat angles C4'-P-C4' energy: -73.858
flat angles P-C4'-P energy: -43.565
tors. eta vs tors. theta energy: -30.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -611.521751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.521751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.521751 (E_RNA)
where:
Base-Base interactions energy: -278.797
where: short stacking energy: -187.578
Base-Backbone interact. energy: -0.851
local terms energy: -331.873799
where:
bonds (distance) C4'-P energy: -82.945
bonds (distance) P-C4' energy: -86.803
flat angles C4'-P-C4' energy: -88.877
flat angles P-C4'-P energy: -40.781
tors. eta vs tors. theta energy: -32.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -431.841325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.841325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.841325 (E_RNA)
where:
Base-Base interactions energy: -148.036
where: short stacking energy: -122.904
Base-Backbone interact. energy: 0.463
local terms energy: -284.268935
where:
bonds (distance) C4'-P energy: -84.843
bonds (distance) P-C4' energy: -87.484
flat angles C4'-P-C4' energy: -65.643
flat angles P-C4'-P energy: -29.960
tors. eta vs tors. theta energy: -16.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -428.702289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.702289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.702289 (E_RNA)
where:
Base-Base interactions energy: -157.125
where: short stacking energy: -140.893
Base-Backbone interact. energy: 7.992
local terms energy: -279.569084
where:
bonds (distance) C4'-P energy: -84.591
bonds (distance) P-C4' energy: -87.100
flat angles C4'-P-C4' energy: -77.064
flat angles P-C4'-P energy: -38.624
tors. eta vs tors. theta energy: 7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -403.845228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.845228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.845228 (E_RNA)
where:
Base-Base interactions energy: -141.322
where: short stacking energy: -98.282
Base-Backbone interact. energy: 0.833
local terms energy: -263.356839
where:
bonds (distance) C4'-P energy: -76.834
bonds (distance) P-C4' energy: -74.997
flat angles C4'-P-C4' energy: -66.987
flat angles P-C4'-P energy: -44.516
tors. eta vs tors. theta energy: -0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -372.331653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.331653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.331653 (E_RNA)
where:
Base-Base interactions energy: -112.061
where: short stacking energy: -96.568
Base-Backbone interact. energy: 5.925
local terms energy: -266.196089
where:
bonds (distance) C4'-P energy: -75.837
bonds (distance) P-C4' energy: -86.665
flat angles C4'-P-C4' energy: -66.519
flat angles P-C4'-P energy: -52.238
tors. eta vs tors. theta energy: 15.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1266.556132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.556132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.556132 (E_RNA)
where:
Base-Base interactions energy: -740.286
where: short stacking energy: -463.517
Base-Backbone interact. energy: -0.063
local terms energy: -526.207148
where:
bonds (distance) C4'-P energy: -97.288
bonds (distance) P-C4' energy: -97.849
flat angles C4'-P-C4' energy: -102.109
flat angles P-C4'-P energy: -81.916
tors. eta vs tors. theta energy: -147.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1080.876355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.876355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.876355 (E_RNA)
where:
Base-Base interactions energy: -596.446
where: short stacking energy: -402.414
Base-Backbone interact. energy: -0.818
local terms energy: -483.612419
where:
bonds (distance) C4'-P energy: -92.482
bonds (distance) P-C4' energy: -98.061
flat angles C4'-P-C4' energy: -104.768
flat angles P-C4'-P energy: -66.492
tors. eta vs tors. theta energy: -121.810
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: 10
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -945.172521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.172521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.172521 (E_RNA)
where:
Base-Base interactions energy: -526.044
where: short stacking energy: -334.409
Base-Backbone interact. energy: 0.216
local terms energy: -419.343764
where:
bonds (distance) C4'-P energy: -90.841
bonds (distance) P-C4' energy: -83.312
flat angles C4'-P-C4' energy: -94.047
flat angles P-C4'-P energy: -56.887
tors. eta vs tors. theta energy: -94.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -834.285111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.285111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.285111 (E_RNA)
where:
Base-Base interactions energy: -449.596
where: short stacking energy: -288.157
Base-Backbone interact. energy: 0.145
local terms energy: -384.834512
where:
bonds (distance) C4'-P energy: -80.686
bonds (distance) P-C4' energy: -79.578
flat angles C4'-P-C4' energy: -94.058
flat angles P-C4'-P energy: -63.560
tors. eta vs tors. theta energy: -66.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -673.127459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.127459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.127459 (E_RNA)
where:
Base-Base interactions energy: -304.553
where: short stacking energy: -188.630
Base-Backbone interact. energy: -1.332
local terms energy: -367.242939
where:
bonds (distance) C4'-P energy: -93.785
bonds (distance) P-C4' energy: -87.422
flat angles C4'-P-C4' energy: -78.929
flat angles P-C4'-P energy: -55.869
tors. eta vs tors. theta energy: -51.237
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: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -597.148194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.148194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.148194 (E_RNA)
where:
Base-Base interactions energy: -265.675
where: short stacking energy: -196.866
Base-Backbone interact. energy: 0.452
local terms energy: -331.925704
where:
bonds (distance) C4'-P energy: -82.933
bonds (distance) P-C4' energy: -91.261
flat angles C4'-P-C4' energy: -81.717
flat angles P-C4'-P energy: -52.847
tors. eta vs tors. theta energy: -23.168
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: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -456.981506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.981506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.981506 (E_RNA)
where:
Base-Base interactions energy: -162.683
where: short stacking energy: -136.710
Base-Backbone interact. energy: -2.357
local terms energy: -291.941476
where:
bonds (distance) C4'-P energy: -82.811
bonds (distance) P-C4' energy: -90.568
flat angles C4'-P-C4' energy: -69.225
flat angles P-C4'-P energy: -43.421
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -397.848073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.848073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.848073 (E_RNA)
where:
Base-Base interactions energy: -143.300
where: short stacking energy: -122.114
Base-Backbone interact. energy: -0.941
local terms energy: -253.607105
where:
bonds (distance) C4'-P energy: -68.896
bonds (distance) P-C4' energy: -80.693
flat angles C4'-P-C4' energy: -61.202
flat angles P-C4'-P energy: -40.632
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: 9, replica: 1
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -429.195923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.195923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.195923 (E_RNA)
where:
Base-Base interactions energy: -152.191
where: short stacking energy: -119.443
Base-Backbone interact. energy: -0.008
local terms energy: -276.997497
where:
bonds (distance) C4'-P energy: -81.474
bonds (distance) P-C4' energy: -75.361
flat angles C4'-P-C4' energy: -58.770
flat angles P-C4'-P energy: -55.462
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -347.076007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.076007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.076007 (E_RNA)
where:
Base-Base interactions energy: -121.868
where: short stacking energy: -98.574
Base-Backbone interact. energy: 0.528
local terms energy: -225.736340
where:
bonds (distance) C4'-P energy: -64.485
bonds (distance) P-C4' energy: -73.026
flat angles C4'-P-C4' energy: -75.719
flat angles P-C4'-P energy: -34.193
tors. eta vs tors. theta energy: 21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1288.468280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.468280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.468280 (E_RNA)
where:
Base-Base interactions energy: -769.046
where: short stacking energy: -468.978
Base-Backbone interact. energy: -0.990
local terms energy: -518.432212
where:
bonds (distance) C4'-P energy: -95.827
bonds (distance) P-C4' energy: -94.293
flat angles C4'-P-C4' energy: -101.497
flat angles P-C4'-P energy: -72.902
tors. eta vs tors. theta energy: -153.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1041.099688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.099688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.099688 (E_RNA)
where:
Base-Base interactions energy: -580.007
where: short stacking energy: -379.837
Base-Backbone interact. energy: 0.339
local terms energy: -461.432126
where:
bonds (distance) C4'-P energy: -88.783
bonds (distance) P-C4' energy: -96.294
flat angles C4'-P-C4' energy: -104.430
flat angles P-C4'-P energy: -63.846
tors. eta vs tors. theta energy: -108.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -905.379544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.379544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.379544 (E_RNA)
where:
Base-Base interactions energy: -488.724
where: short stacking energy: -317.005
Base-Backbone interact. energy: 0.370
local terms energy: -417.026058
where:
bonds (distance) C4'-P energy: -94.266
bonds (distance) P-C4' energy: -83.385
flat angles C4'-P-C4' energy: -90.633
flat angles P-C4'-P energy: -68.792
tors. eta vs tors. theta energy: -79.951
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: 4, replica: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -786.533068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.533068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.533068 (E_RNA)
where:
Base-Base interactions energy: -405.770
where: short stacking energy: -260.437
Base-Backbone interact. energy: -1.437
local terms energy: -379.325797
where:
bonds (distance) C4'-P energy: -84.775
bonds (distance) P-C4' energy: -97.641
flat angles C4'-P-C4' energy: -91.853
flat angles P-C4'-P energy: -54.663
tors. eta vs tors. theta energy: -50.395
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: 5, replica: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -666.667639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.667639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.667639 (E_RNA)
where:
Base-Base interactions energy: -332.428
where: short stacking energy: -234.915
Base-Backbone interact. energy: -0.365
local terms energy: -333.874555
where:
bonds (distance) C4'-P energy: -78.675
bonds (distance) P-C4' energy: -79.702
flat angles C4'-P-C4' energy: -86.110
flat angles P-C4'-P energy: -42.952
tors. eta vs tors. theta energy: -46.436
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: 4
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -606.678438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.678438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.678438 (E_RNA)
where:
Base-Base interactions energy: -290.324
where: short stacking energy: -193.254
Base-Backbone interact. energy: -0.111
local terms energy: -316.242975
where:
bonds (distance) C4'-P energy: -89.631
bonds (distance) P-C4' energy: -81.417
flat angles C4'-P-C4' energy: -72.476
flat angles P-C4'-P energy: -47.245
tors. eta vs tors. theta energy: -25.475
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: 8
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -479.485905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.485905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.485905 (E_RNA)
where:
Base-Base interactions energy: -176.728
where: short stacking energy: -161.928
Base-Backbone interact. energy: -2.525
local terms energy: -300.232997
where:
bonds (distance) C4'-P energy: -76.962
bonds (distance) P-C4' energy: -79.537
flat angles C4'-P-C4' energy: -75.919
flat angles P-C4'-P energy: -55.364
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -430.272785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.272785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.272785 (E_RNA)
where:
Base-Base interactions energy: -139.670
where: short stacking energy: -134.277
Base-Backbone interact. energy: 0.000
local terms energy: -290.602796
where:
bonds (distance) C4'-P energy: -66.011
bonds (distance) P-C4' energy: -81.872
flat angles C4'-P-C4' energy: -87.649
flat angles P-C4'-P energy: -47.731
tors. eta vs tors. theta energy: -7.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -398.211671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.211671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.211671 (E_RNA)
where:
Base-Base interactions energy: -163.002
where: short stacking energy: -116.809
Base-Backbone interact. energy: 2.651
local terms energy: -237.860961
where:
bonds (distance) C4'-P energy: -85.217
bonds (distance) P-C4' energy: -76.469
flat angles C4'-P-C4' energy: -58.068
flat angles P-C4'-P energy: -33.980
tors. eta vs tors. theta energy: 15.873
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: 5
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -353.575411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.575411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.575411 (E_RNA)
where:
Base-Base interactions energy: -97.797
where: short stacking energy: -93.991
Base-Backbone interact. energy: 0.451
local terms energy: -256.229401
where:
bonds (distance) C4'-P energy: -87.664
bonds (distance) P-C4' energy: -83.154
flat angles C4'-P-C4' energy: -60.228
flat angles P-C4'-P energy: -34.780
tors. eta vs tors. theta energy: 9.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1279.086097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.086097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.086097 (E_RNA)
where:
Base-Base interactions energy: -749.622
where: short stacking energy: -456.986
Base-Backbone interact. energy: -1.293
local terms energy: -528.171004
where:
bonds (distance) C4'-P energy: -101.619
bonds (distance) P-C4' energy: -96.049
flat angles C4'-P-C4' energy: -104.525
flat angles P-C4'-P energy: -74.143
tors. eta vs tors. theta energy: -151.835
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: 6
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1019.056635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.056635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.056635 (E_RNA)
where:
Base-Base interactions energy: -576.530
where: short stacking energy: -358.706
Base-Backbone interact. energy: -0.950
local terms energy: -441.576859
where:
bonds (distance) C4'-P energy: -79.762
bonds (distance) P-C4' energy: -87.773
flat angles C4'-P-C4' energy: -97.001
flat angles P-C4'-P energy: -74.944
tors. eta vs tors. theta energy: -102.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -858.535061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.535061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.535061 (E_RNA)
where:
Base-Base interactions energy: -462.627
where: short stacking energy: -273.136
Base-Backbone interact. energy: -0.768
local terms energy: -395.140025
where:
bonds (distance) C4'-P energy: -77.794
bonds (distance) P-C4' energy: -99.765
flat angles C4'-P-C4' energy: -91.327
flat angles P-C4'-P energy: -60.757
tors. eta vs tors. theta energy: -65.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -857.062622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.062622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.062622 (E_RNA)
where:
Base-Base interactions energy: -448.482
where: short stacking energy: -280.271
Base-Backbone interact. energy: -1.110
local terms energy: -407.470302
where:
bonds (distance) C4'-P energy: -86.782
bonds (distance) P-C4' energy: -88.129
flat angles C4'-P-C4' energy: -93.088
flat angles P-C4'-P energy: -63.414
tors. eta vs tors. theta energy: -76.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -648.126797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.126797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.126797 (E_RNA)
where:
Base-Base interactions energy: -317.504
where: short stacking energy: -205.331
Base-Backbone interact. energy: 2.626
local terms energy: -333.249165
where:
bonds (distance) C4'-P energy: -84.414
bonds (distance) P-C4' energy: -79.306
flat angles C4'-P-C4' energy: -89.972
flat angles P-C4'-P energy: -58.525
tors. eta vs tors. theta energy: -21.032
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: 4
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -538.396642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.396642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.396642 (E_RNA)
where:
Base-Base interactions energy: -217.031
where: short stacking energy: -150.706
Base-Backbone interact. energy: -0.669
local terms energy: -320.696902
where:
bonds (distance) C4'-P energy: -86.584
bonds (distance) P-C4' energy: -89.434
flat angles C4'-P-C4' energy: -71.763
flat angles P-C4'-P energy: -60.020
tors. eta vs tors. theta energy: -12.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -446.296249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.296249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.296249 (E_RNA)
where:
Base-Base interactions energy: -172.406
where: short stacking energy: -127.838
Base-Backbone interact. energy: -1.955
local terms energy: -271.935826
where:
bonds (distance) C4'-P energy: -83.128
bonds (distance) P-C4' energy: -70.341
flat angles C4'-P-C4' energy: -66.171
flat angles P-C4'-P energy: -49.220
tors. eta vs tors. theta energy: -3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -410.176274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.176274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.176274 (E_RNA)
where:
Base-Base interactions energy: -140.026
where: short stacking energy: -127.005
Base-Backbone interact. energy: -1.138
local terms energy: -269.013018
where:
bonds (distance) C4'-P energy: -74.520
bonds (distance) P-C4' energy: -78.791
flat angles C4'-P-C4' energy: -75.872
flat angles P-C4'-P energy: -41.093
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: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -353.524259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.524259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.524259 (E_RNA)
where:
Base-Base interactions energy: -121.858
where: short stacking energy: -113.977
Base-Backbone interact. energy: -0.128
local terms energy: -231.538421
where:
bonds (distance) C4'-P energy: -68.996
bonds (distance) P-C4' energy: -72.455
flat angles C4'-P-C4' energy: -72.163
flat angles P-C4'-P energy: -26.831
tors. eta vs tors. theta energy: 8.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -356.506030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.506030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.506030 (E_RNA)
where:
Base-Base interactions energy: -117.810
where: short stacking energy: -102.217
Base-Backbone interact. energy: 0.396
local terms energy: -239.092068
where:
bonds (distance) C4'-P energy: -71.476
bonds (distance) P-C4' energy: -90.827
flat angles C4'-P-C4' energy: -51.368
flat angles P-C4'-P energy: -37.634
tors. eta vs tors. theta energy: 12.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1250.963654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.963654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.963654 (E_RNA)
where:
Base-Base interactions energy: -757.865
where: short stacking energy: -468.273
Base-Backbone interact. energy: -0.631
local terms energy: -492.468324
where:
bonds (distance) C4'-P energy: -85.999
bonds (distance) P-C4' energy: -95.057
flat angles C4'-P-C4' energy: -99.672
flat angles P-C4'-P energy: -64.701
tors. eta vs tors. theta energy: -147.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1042.934935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.934935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.934935 (E_RNA)
where:
Base-Base interactions energy: -587.048
where: short stacking energy: -362.498
Base-Backbone interact. energy: -0.327
local terms energy: -455.559986
where:
bonds (distance) C4'-P energy: -91.125
bonds (distance) P-C4' energy: -99.682
flat angles C4'-P-C4' energy: -96.767
flat angles P-C4'-P energy: -62.091
tors. eta vs tors. theta energy: -105.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -887.519156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.519156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.519156 (E_RNA)
where:
Base-Base interactions energy: -478.842
where: short stacking energy: -295.622
Base-Backbone interact. energy: -1.079
local terms energy: -407.597391
where:
bonds (distance) C4'-P energy: -86.684
bonds (distance) P-C4' energy: -91.151
flat angles C4'-P-C4' energy: -99.973
flat angles P-C4'-P energy: -64.550
tors. eta vs tors. theta energy: -65.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -844.132948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.132948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.132948 (E_RNA)
where:
Base-Base interactions energy: -442.587
where: short stacking energy: -274.641
Base-Backbone interact. energy: 1.495
local terms energy: -403.040984
where:
bonds (distance) C4'-P energy: -85.559
bonds (distance) P-C4' energy: -91.145
flat angles C4'-P-C4' energy: -99.731
flat angles P-C4'-P energy: -61.220
tors. eta vs tors. theta energy: -65.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -706.315390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.315390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.315390 (E_RNA)
where:
Base-Base interactions energy: -339.973
where: short stacking energy: -236.500
Base-Backbone interact. energy: -1.124
local terms energy: -365.218389
where:
bonds (distance) C4'-P energy: -87.684
bonds (distance) P-C4' energy: -91.933
flat angles C4'-P-C4' energy: -81.097
flat angles P-C4'-P energy: -57.421
tors. eta vs tors. theta energy: -47.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -563.728158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.728158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.728158 (E_RNA)
where:
Base-Base interactions energy: -243.794
where: short stacking energy: -192.739
Base-Backbone interact. energy: -0.435
local terms energy: -319.499644
where:
bonds (distance) C4'-P energy: -86.094
bonds (distance) P-C4' energy: -90.160
flat angles C4'-P-C4' energy: -74.102
flat angles P-C4'-P energy: -44.775
tors. eta vs tors. theta energy: -24.369
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: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -455.965959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.965959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.965959 (E_RNA)
where:
Base-Base interactions energy: -157.890
where: short stacking energy: -151.388
Base-Backbone interact. energy: 7.074
local terms energy: -305.149774
where:
bonds (distance) C4'-P energy: -79.111
bonds (distance) P-C4' energy: -86.983
flat angles C4'-P-C4' energy: -83.662
flat angles P-C4'-P energy: -38.077
tors. eta vs tors. theta energy: -17.317
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: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -421.867897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.867897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.867897 (E_RNA)
where:
Base-Base interactions energy: -154.905
where: short stacking energy: -153.583
Base-Backbone interact. energy: -1.047
local terms energy: -265.915801
where:
bonds (distance) C4'-P energy: -69.239
bonds (distance) P-C4' energy: -82.159
flat angles C4'-P-C4' energy: -69.668
flat angles P-C4'-P energy: -38.954
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: 3
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -364.604850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.604850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.604850 (E_RNA)
where:
Base-Base interactions energy: -119.618
where: short stacking energy: -97.121
Base-Backbone interact. energy: -0.532
local terms energy: -244.454145
where:
bonds (distance) C4'-P energy: -65.739
bonds (distance) P-C4' energy: -77.051
flat angles C4'-P-C4' energy: -73.395
flat angles P-C4'-P energy: -49.340
tors. eta vs tors. theta energy: 21.071
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: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -337.099761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.099761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.099761 (E_RNA)
where:
Base-Base interactions energy: -100.695
where: short stacking energy: -83.909
Base-Backbone interact. energy: -1.700
local terms energy: -234.705274
where:
bonds (distance) C4'-P energy: -75.812
bonds (distance) P-C4' energy: -82.708
flat angles C4'-P-C4' energy: -52.407
flat angles P-C4'-P energy: -36.908
tors. eta vs tors. theta energy: 13.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1252.568362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.568362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.568362 (E_RNA)
where:
Base-Base interactions energy: -737.449
where: short stacking energy: -471.550
Base-Backbone interact. energy: -0.482
local terms energy: -514.637437
where:
bonds (distance) C4'-P energy: -91.741
bonds (distance) P-C4' energy: -90.705
flat angles C4'-P-C4' energy: -103.932
flat angles P-C4'-P energy: -81.657
tors. eta vs tors. theta energy: -146.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1089.099380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.099380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.099380 (E_RNA)
where:
Base-Base interactions energy: -614.849
where: short stacking energy: -369.682
Base-Backbone interact. energy: -1.209
local terms energy: -473.040695
where:
bonds (distance) C4'-P energy: -91.147
bonds (distance) P-C4' energy: -100.182
flat angles C4'-P-C4' energy: -107.069
flat angles P-C4'-P energy: -66.694
tors. eta vs tors. theta energy: -107.948
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: 3, replica: 10
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -915.484339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.484339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.484339 (E_RNA)
where:
Base-Base interactions energy: -509.663
where: short stacking energy: -327.462
Base-Backbone interact. energy: -0.698
local terms energy: -405.123568
where:
bonds (distance) C4'-P energy: -85.078
bonds (distance) P-C4' energy: -87.959
flat angles C4'-P-C4' energy: -90.221
flat angles P-C4'-P energy: -54.662
tors. eta vs tors. theta energy: -87.203
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: 322
Temperature: 1.050000
Total energy: -811.226293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.226293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.226293 (E_RNA)
where:
Base-Base interactions energy: -444.660
where: short stacking energy: -262.812
Base-Backbone interact. energy: -1.731
local terms energy: -364.834742
where:
bonds (distance) C4'-P energy: -83.150
bonds (distance) P-C4' energy: -85.315
flat angles C4'-P-C4' energy: -87.549
flat angles P-C4'-P energy: -52.641
tors. eta vs tors. theta energy: -56.180
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: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -700.848953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.848953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.848953 (E_RNA)
where:
Base-Base interactions energy: -343.666
where: short stacking energy: -233.141
Base-Backbone interact. energy: -0.612
local terms energy: -356.571404
where:
bonds (distance) C4'-P energy: -78.402
bonds (distance) P-C4' energy: -90.946
flat angles C4'-P-C4' energy: -75.270
flat angles P-C4'-P energy: -56.022
tors. eta vs tors. theta energy: -55.932
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: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -549.613908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.613908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.613908 (E_RNA)
where:
Base-Base interactions energy: -246.165
where: short stacking energy: -179.890
Base-Backbone interact. energy: -0.226
local terms energy: -303.222507
where:
bonds (distance) C4'-P energy: -75.975
bonds (distance) P-C4' energy: -75.837
flat angles C4'-P-C4' energy: -75.139
flat angles P-C4'-P energy: -55.815
tors. eta vs tors. theta energy: -20.456
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: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -431.206626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.206626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.206626 (E_RNA)
where:
Base-Base interactions energy: -151.095
where: short stacking energy: -146.037
Base-Backbone interact. energy: -0.466
local terms energy: -279.646464
where:
bonds (distance) C4'-P energy: -71.307
bonds (distance) P-C4' energy: -91.089
flat angles C4'-P-C4' energy: -61.732
flat angles P-C4'-P energy: -39.918
tors. eta vs tors. theta energy: -15.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -408.687859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.687859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.687859 (E_RNA)
where:
Base-Base interactions energy: -142.375
where: short stacking energy: -131.634
Base-Backbone interact. energy: 3.482
local terms energy: -269.794844
where:
bonds (distance) C4'-P energy: -69.776
bonds (distance) P-C4' energy: -88.950
flat angles C4'-P-C4' energy: -65.934
flat angles P-C4'-P energy: -38.964
tors. eta vs tors. theta energy: -6.170
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: 322
Temperature: 1.300000
Total energy: -390.664320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.664320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.664320 (E_RNA)
where:
Base-Base interactions energy: -119.668
where: short stacking energy: -107.292
Base-Backbone interact. energy: 1.508
local terms energy: -272.504261
where:
bonds (distance) C4'-P energy: -73.322
bonds (distance) P-C4' energy: -88.778
flat angles C4'-P-C4' energy: -67.304
flat angles P-C4'-P energy: -45.598
tors. eta vs tors. theta energy: 2.498
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: 322
Temperature: 1.350000
Total energy: -347.666544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.666544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.666544 (E_RNA)
where:
Base-Base interactions energy: -117.349
where: short stacking energy: -100.281
Base-Backbone interact. energy: 0.595
local terms energy: -230.912534
where:
bonds (distance) C4'-P energy: -77.972
bonds (distance) P-C4' energy: -72.510
flat angles C4'-P-C4' energy: -70.451
flat angles P-C4'-P energy: -34.151
tors. eta vs tors. theta energy: 24.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1241.101533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.101533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.101533 (E_RNA)
where:
Base-Base interactions energy: -743.622
where: short stacking energy: -458.973
Base-Backbone interact. energy: -1.409
local terms energy: -496.070891
where:
bonds (distance) C4'-P energy: -90.297
bonds (distance) P-C4' energy: -91.323
flat angles C4'-P-C4' energy: -104.323
flat angles P-C4'-P energy: -65.993
tors. eta vs tors. theta energy: -144.134
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: 2, replica: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1059.731407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.731407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.731407 (E_RNA)
where:
Base-Base interactions energy: -623.490
where: short stacking energy: -363.498
Base-Backbone interact. energy: 0.732
local terms energy: -436.972666
where:
bonds (distance) C4'-P energy: -80.960
bonds (distance) P-C4' energy: -92.992
flat angles C4'-P-C4' energy: -101.513
flat angles P-C4'-P energy: -62.648
tors. eta vs tors. theta energy: -98.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -901.076184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.076184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.076184 (E_RNA)
where:
Base-Base interactions energy: -489.520
where: short stacking energy: -322.407
Base-Backbone interact. energy: 2.978
local terms energy: -414.534793
where:
bonds (distance) C4'-P energy: -88.426
bonds (distance) P-C4' energy: -85.543
flat angles C4'-P-C4' energy: -90.125
flat angles P-C4'-P energy: -58.769
tors. eta vs tors. theta energy: -91.672
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: 4, replica: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -830.681132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.681132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.681132 (E_RNA)
where:
Base-Base interactions energy: -439.825
where: short stacking energy: -276.236
Base-Backbone interact. energy: 0.081
local terms energy: -390.936704
where:
bonds (distance) C4'-P energy: -94.705
bonds (distance) P-C4' energy: -100.518
flat angles C4'-P-C4' energy: -86.805
flat angles P-C4'-P energy: -58.525
tors. eta vs tors. theta energy: -50.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -696.139706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.139706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.139706 (E_RNA)
where:
Base-Base interactions energy: -359.030
where: short stacking energy: -226.758
Base-Backbone interact. energy: 0.445
local terms energy: -337.555340
where:
bonds (distance) C4'-P energy: -80.597
bonds (distance) P-C4' energy: -87.263
flat angles C4'-P-C4' energy: -83.739
flat angles P-C4'-P energy: -48.514
tors. eta vs tors. theta energy: -37.442
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: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -530.546959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.546959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.546959 (E_RNA)
where:
Base-Base interactions energy: -209.522
where: short stacking energy: -152.230
Base-Backbone interact. energy: -0.387
local terms energy: -320.638139
where:
bonds (distance) C4'-P energy: -90.634
bonds (distance) P-C4' energy: -84.060
flat angles C4'-P-C4' energy: -79.818
flat angles P-C4'-P energy: -56.048
tors. eta vs tors. theta energy: -10.078
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: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -459.261748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.261748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.261748 (E_RNA)
where:
Base-Base interactions energy: -160.293
where: short stacking energy: -150.398
Base-Backbone interact. energy: -1.153
local terms energy: -297.816149
where:
bonds (distance) C4'-P energy: -73.871
bonds (distance) P-C4' energy: -83.663
flat angles C4'-P-C4' energy: -74.153
flat angles P-C4'-P energy: -53.627
tors. eta vs tors. theta energy: -12.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -402.115701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.115701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.115701 (E_RNA)
where:
Base-Base interactions energy: -136.655
where: short stacking energy: -136.222
Base-Backbone interact. energy: -1.997
local terms energy: -263.463207
where:
bonds (distance) C4'-P energy: -62.152
bonds (distance) P-C4' energy: -85.876
flat angles C4'-P-C4' energy: -70.226
flat angles P-C4'-P energy: -47.168
tors. eta vs tors. theta energy: 1.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -396.640971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.640971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.640971 (E_RNA)
where:
Base-Base interactions energy: -125.344
where: short stacking energy: -121.034
Base-Backbone interact. energy: 0.254
local terms energy: -271.550977
where:
bonds (distance) C4'-P energy: -86.126
bonds (distance) P-C4' energy: -83.354
flat angles C4'-P-C4' energy: -61.860
flat angles P-C4'-P energy: -30.640
tors. eta vs tors. theta energy: -9.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -347.460361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.460361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.460361 (E_RNA)
where:
Base-Base interactions energy: -137.182
where: short stacking energy: -112.014
Base-Backbone interact. energy: 4.693
local terms energy: -214.971562
where:
bonds (distance) C4'-P energy: -62.737
bonds (distance) P-C4' energy: -79.419
flat angles C4'-P-C4' energy: -55.677
flat angles P-C4'-P energy: -23.493
tors. eta vs tors. theta energy: 6.354
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: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1273.665619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.665619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.665619 (E_RNA)
where:
Base-Base interactions energy: -750.906
where: short stacking energy: -483.971
Base-Backbone interact. energy: -0.432
local terms energy: -522.327412
where:
bonds (distance) C4'-P energy: -104.637
bonds (distance) P-C4' energy: -93.088
flat angles C4'-P-C4' energy: -107.098
flat angles P-C4'-P energy: -77.970
tors. eta vs tors. theta energy: -139.535
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: 6
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1047.037395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.037395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.037395 (E_RNA)
where:
Base-Base interactions energy: -604.119
where: short stacking energy: -392.812
Base-Backbone interact. energy: -0.394
local terms energy: -442.524531
where:
bonds (distance) C4'-P energy: -85.335
bonds (distance) P-C4' energy: -85.909
flat angles C4'-P-C4' energy: -95.933
flat angles P-C4'-P energy: -65.338
tors. eta vs tors. theta energy: -110.009
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: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -896.300939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.300939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.300939 (E_RNA)
where:
Base-Base interactions energy: -494.485
where: short stacking energy: -319.985
Base-Backbone interact. energy: 0.010
local terms energy: -401.825147
where:
bonds (distance) C4'-P energy: -84.580
bonds (distance) P-C4' energy: -91.742
flat angles C4'-P-C4' energy: -84.907
flat angles P-C4'-P energy: -61.380
tors. eta vs tors. theta energy: -79.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -828.418202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.418202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.418202 (E_RNA)
where:
Base-Base interactions energy: -458.636
where: short stacking energy: -272.673
Base-Backbone interact. energy: 0.075
local terms energy: -369.857199
where:
bonds (distance) C4'-P energy: -69.800
bonds (distance) P-C4' energy: -98.716
flat angles C4'-P-C4' energy: -84.765
flat angles P-C4'-P energy: -53.486
tors. eta vs tors. theta energy: -63.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -717.891349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.891349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.891349 (E_RNA)
where:
Base-Base interactions energy: -373.451
where: short stacking energy: -245.860
Base-Backbone interact. energy: -1.406
local terms energy: -343.033464
where:
bonds (distance) C4'-P energy: -74.247
bonds (distance) P-C4' energy: -96.453
flat angles C4'-P-C4' energy: -83.182
flat angles P-C4'-P energy: -41.617
tors. eta vs tors. theta energy: -47.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -583.334751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.334751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.334751 (E_RNA)
where:
Base-Base interactions energy: -288.314
where: short stacking energy: -216.253
Base-Backbone interact. energy: 3.285
local terms energy: -298.306175
where:
bonds (distance) C4'-P energy: -71.014
bonds (distance) P-C4' energy: -78.654
flat angles C4'-P-C4' energy: -80.183
flat angles P-C4'-P energy: -44.700
tors. eta vs tors. theta energy: -23.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -434.135097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.135097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.135097 (E_RNA)
where:
Base-Base interactions energy: -147.221
where: short stacking energy: -128.453
Base-Backbone interact. energy: -0.069
local terms energy: -286.845207
where:
bonds (distance) C4'-P energy: -71.985
bonds (distance) P-C4' energy: -89.004
flat angles C4'-P-C4' energy: -89.365
flat angles P-C4'-P energy: -36.784
tors. eta vs tors. theta energy: 0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -394.464141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.464141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.464141 (E_RNA)
where:
Base-Base interactions energy: -136.073
where: short stacking energy: -125.577
Base-Backbone interact. energy: 1.183
local terms energy: -259.574170
where:
bonds (distance) C4'-P energy: -70.339
bonds (distance) P-C4' energy: -76.495
flat angles C4'-P-C4' energy: -78.297
flat angles P-C4'-P energy: -36.453
tors. eta vs tors. theta energy: 2.009
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: 3
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -379.282036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.282036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.282036 (E_RNA)
where:
Base-Base interactions energy: -135.010
where: short stacking energy: -123.464
Base-Backbone interact. energy: 1.293
local terms energy: -245.564546
where:
bonds (distance) C4'-P energy: -77.713
bonds (distance) P-C4' energy: -74.041
flat angles C4'-P-C4' energy: -61.498
flat angles P-C4'-P energy: -36.643
tors. eta vs tors. theta energy: 4.331
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: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -372.783299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.783299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.783299 (E_RNA)
where:
Base-Base interactions energy: -117.711
where: short stacking energy: -101.191
Base-Backbone interact. energy: -1.792
local terms energy: -253.279870
where:
bonds (distance) C4'-P energy: -79.588
bonds (distance) P-C4' energy: -68.260
flat angles C4'-P-C4' energy: -68.995
flat angles P-C4'-P energy: -46.942
tors. eta vs tors. theta energy: 10.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1282.348233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.348233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.348233 (E_RNA)
where:
Base-Base interactions energy: -768.587
where: short stacking energy: -474.193
Base-Backbone interact. energy: 0.537
local terms energy: -514.297759
where:
bonds (distance) C4'-P energy: -89.403
bonds (distance) P-C4' energy: -92.929
flat angles C4'-P-C4' energy: -104.482
flat angles P-C4'-P energy: -78.261
tors. eta vs tors. theta energy: -149.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1043.544122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.544122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.544122 (E_RNA)
where:
Base-Base interactions energy: -596.904
where: short stacking energy: -354.832
Base-Backbone interact. energy: -0.977
local terms energy: -445.663600
where:
bonds (distance) C4'-P energy: -91.717
bonds (distance) P-C4' energy: -90.831
flat angles C4'-P-C4' energy: -98.022
flat angles P-C4'-P energy: -59.333
tors. eta vs tors. theta energy: -105.762
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: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -856.750607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.750607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.750607 (E_RNA)
where:
Base-Base interactions energy: -456.521
where: short stacking energy: -287.550
Base-Backbone interact. energy: -0.961
local terms energy: -399.267967
where:
bonds (distance) C4'-P energy: -96.034
bonds (distance) P-C4' energy: -90.199
flat angles C4'-P-C4' energy: -75.639
flat angles P-C4'-P energy: -58.157
tors. eta vs tors. theta energy: -79.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -834.035104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.035104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.035104 (E_RNA)
where:
Base-Base interactions energy: -459.566
where: short stacking energy: -270.613
Base-Backbone interact. energy: -1.213
local terms energy: -373.256679
where:
bonds (distance) C4'-P energy: -87.029
bonds (distance) P-C4' energy: -100.118
flat angles C4'-P-C4' energy: -80.600
flat angles P-C4'-P energy: -43.991
tors. eta vs tors. theta energy: -61.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -685.676047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.676047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.676047 (E_RNA)
where:
Base-Base interactions energy: -344.237
where: short stacking energy: -235.066
Base-Backbone interact. energy: -1.131
local terms energy: -340.308517
where:
bonds (distance) C4'-P energy: -76.604
bonds (distance) P-C4' energy: -92.986
flat angles C4'-P-C4' energy: -83.988
flat angles P-C4'-P energy: -45.721
tors. eta vs tors. theta energy: -41.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -584.355234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.355234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.355234 (E_RNA)
where:
Base-Base interactions energy: -258.168
where: short stacking energy: -193.206
Base-Backbone interact. energy: 0.950
local terms energy: -327.137157
where:
bonds (distance) C4'-P energy: -81.072
bonds (distance) P-C4' energy: -92.223
flat angles C4'-P-C4' energy: -74.238
flat angles P-C4'-P energy: -49.330
tors. eta vs tors. theta energy: -30.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -439.582160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.582160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.582160 (E_RNA)
where:
Base-Base interactions energy: -159.492
where: short stacking energy: -156.170
Base-Backbone interact. energy: 2.843
local terms energy: -282.933731
where:
bonds (distance) C4'-P energy: -71.433
bonds (distance) P-C4' energy: -82.028
flat angles C4'-P-C4' energy: -66.925
flat angles P-C4'-P energy: -60.409
tors. eta vs tors. theta energy: -2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -416.873810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.873810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.873810 (E_RNA)
where:
Base-Base interactions energy: -160.387
where: short stacking energy: -125.237
Base-Backbone interact. energy: -1.819
local terms energy: -254.667299
where:
bonds (distance) C4'-P energy: -76.175
bonds (distance) P-C4' energy: -79.132
flat angles C4'-P-C4' energy: -72.507
flat angles P-C4'-P energy: -24.841
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -367.440542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.440542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.440542 (E_RNA)
where:
Base-Base interactions energy: -111.669
where: short stacking energy: -102.282
Base-Backbone interact. energy: -0.497
local terms energy: -255.274071
where:
bonds (distance) C4'-P energy: -71.965
bonds (distance) P-C4' energy: -83.446
flat angles C4'-P-C4' energy: -57.397
flat angles P-C4'-P energy: -48.821
tors. eta vs tors. theta energy: 6.354
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: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -386.831649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.831649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.831649 (E_RNA)
where:
Base-Base interactions energy: -145.457
where: short stacking energy: -127.177
Base-Backbone interact. energy: -0.680
local terms energy: -240.695407
where:
bonds (distance) C4'-P energy: -71.587
bonds (distance) P-C4' energy: -78.856
flat angles C4'-P-C4' energy: -50.598
flat angles P-C4'-P energy: -28.737
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1251.025894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.025894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.025894 (E_RNA)
where:
Base-Base interactions energy: -755.832
where: short stacking energy: -446.303
Base-Backbone interact. energy: -1.181
local terms energy: -494.012621
where:
bonds (distance) C4'-P energy: -88.615
bonds (distance) P-C4' energy: -89.533
flat angles C4'-P-C4' energy: -113.582
flat angles P-C4'-P energy: -73.635
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: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1006.751187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.751187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.751187 (E_RNA)
where:
Base-Base interactions energy: -556.948
where: short stacking energy: -342.823
Base-Backbone interact. energy: 0.862
local terms energy: -450.664830
where:
bonds (distance) C4'-P energy: -89.852
bonds (distance) P-C4' energy: -96.138
flat angles C4'-P-C4' energy: -92.381
flat angles P-C4'-P energy: -75.107
tors. eta vs tors. theta energy: -97.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -863.222277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.222277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.222277 (E_RNA)
where:
Base-Base interactions energy: -473.920
where: short stacking energy: -272.212
Base-Backbone interact. energy: -0.752
local terms energy: -388.549805
where:
bonds (distance) C4'-P energy: -85.950
bonds (distance) P-C4' energy: -87.365
flat angles C4'-P-C4' energy: -88.060
flat angles P-C4'-P energy: -66.065
tors. eta vs tors. theta energy: -61.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -830.075073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.075073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.075073 (E_RNA)
where:
Base-Base interactions energy: -480.904
where: short stacking energy: -302.407
Base-Backbone interact. energy: -0.664
local terms energy: -348.507935
where:
bonds (distance) C4'-P energy: -70.027
bonds (distance) P-C4' energy: -79.402
flat angles C4'-P-C4' energy: -83.001
flat angles P-C4'-P energy: -45.447
tors. eta vs tors. theta energy: -70.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -661.367236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.367236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.367236 (E_RNA)
where:
Base-Base interactions energy: -303.089
where: short stacking energy: -219.585
Base-Backbone interact. energy: 0.835
local terms energy: -359.113699
where:
bonds (distance) C4'-P energy: -94.228
bonds (distance) P-C4' energy: -85.453
flat angles C4'-P-C4' energy: -74.500
flat angles P-C4'-P energy: -62.512
tors. eta vs tors. theta energy: -42.421
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: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -579.359493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.359493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.359493 (E_RNA)
where:
Base-Base interactions energy: -256.933
where: short stacking energy: -188.367
Base-Backbone interact. energy: -1.010
local terms energy: -321.416772
where:
bonds (distance) C4'-P energy: -79.371
bonds (distance) P-C4' energy: -90.753
flat angles C4'-P-C4' energy: -71.701
flat angles P-C4'-P energy: -46.662
tors. eta vs tors. theta energy: -32.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -419.123779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.123779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.123779 (E_RNA)
where:
Base-Base interactions energy: -130.452
where: short stacking energy: -115.958
Base-Backbone interact. energy: -0.670
local terms energy: -288.001484
where:
bonds (distance) C4'-P energy: -80.005
bonds (distance) P-C4' energy: -98.070
flat angles C4'-P-C4' energy: -69.511
flat angles P-C4'-P energy: -51.560
tors. eta vs tors. theta energy: 11.144
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: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -410.777681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.777681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.777681 (E_RNA)
where:
Base-Base interactions energy: -147.610
where: short stacking energy: -145.879
Base-Backbone interact. energy: -0.752
local terms energy: -262.415571
where:
bonds (distance) C4'-P energy: -64.927
bonds (distance) P-C4' energy: -72.818
flat angles C4'-P-C4' energy: -73.003
flat angles P-C4'-P energy: -39.263
tors. eta vs tors. theta energy: -12.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -383.616660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.616660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.616660 (E_RNA)
where:
Base-Base interactions energy: -150.293
where: short stacking energy: -102.751
Base-Backbone interact. energy: 0.492
local terms energy: -233.815671
where:
bonds (distance) C4'-P energy: -75.600
bonds (distance) P-C4' energy: -97.046
flat angles C4'-P-C4' energy: -53.128
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: 13.949
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: 3
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -335.210400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.210400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.210400 (E_RNA)
where:
Base-Base interactions energy: -110.303
where: short stacking energy: -103.592
Base-Backbone interact. energy: 8.225
local terms energy: -233.132070
where:
bonds (distance) C4'-P energy: -76.709
bonds (distance) P-C4' energy: -72.530
flat angles C4'-P-C4' energy: -60.723
flat angles P-C4'-P energy: -35.445
tors. eta vs tors. theta energy: 12.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1225.794865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.794865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.794865 (E_RNA)
where:
Base-Base interactions energy: -727.086
where: short stacking energy: -455.490
Base-Backbone interact. energy: -0.953
local terms energy: -497.755090
where:
bonds (distance) C4'-P energy: -83.283
bonds (distance) P-C4' energy: -103.097
flat angles C4'-P-C4' energy: -107.780
flat angles P-C4'-P energy: -66.743
tors. eta vs tors. theta energy: -136.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1016.436743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.436743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.436743 (E_RNA)
where:
Base-Base interactions energy: -572.292
where: short stacking energy: -344.525
Base-Backbone interact. energy: -1.713
local terms energy: -442.432008
where:
bonds (distance) C4'-P energy: -82.030
bonds (distance) P-C4' energy: -92.276
flat angles C4'-P-C4' energy: -104.780
flat angles P-C4'-P energy: -68.613
tors. eta vs tors. theta energy: -94.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -885.657839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.657839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.657839 (E_RNA)
where:
Base-Base interactions energy: -487.705
where: short stacking energy: -300.191
Base-Backbone interact. energy: -0.577
local terms energy: -397.375304
where:
bonds (distance) C4'-P energy: -89.001
bonds (distance) P-C4' energy: -83.164
flat angles C4'-P-C4' energy: -95.529
flat angles P-C4'-P energy: -61.391
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: 327
Temperature: 1.050000
Total energy: -808.727363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.727363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.727363 (E_RNA)
where:
Base-Base interactions energy: -422.452
where: short stacking energy: -255.684
Base-Backbone interact. energy: -0.909
local terms energy: -385.366084
where:
bonds (distance) C4'-P energy: -83.022
bonds (distance) P-C4' energy: -94.086
flat angles C4'-P-C4' energy: -94.635
flat angles P-C4'-P energy: -47.548
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: 5, replica: 9
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -654.133306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.133306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.133306 (E_RNA)
where:
Base-Base interactions energy: -321.623
where: short stacking energy: -205.148
Base-Backbone interact. energy: 4.045
local terms energy: -336.555043
where:
bonds (distance) C4'-P energy: -78.172
bonds (distance) P-C4' energy: -77.885
flat angles C4'-P-C4' energy: -84.865
flat angles P-C4'-P energy: -54.229
tors. eta vs tors. theta energy: -41.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -572.847246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.847246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.847246 (E_RNA)
where:
Base-Base interactions energy: -227.391
where: short stacking energy: -173.286
Base-Backbone interact. energy: 0.259
local terms energy: -345.715852
where:
bonds (distance) C4'-P energy: -95.148
bonds (distance) P-C4' energy: -77.880
flat angles C4'-P-C4' energy: -84.202
flat angles P-C4'-P energy: -58.816
tors. eta vs tors. theta energy: -29.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -421.803141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.803141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.803141 (E_RNA)
where:
Base-Base interactions energy: -135.697
where: short stacking energy: -119.071
Base-Backbone interact. energy: 0.507
local terms energy: -286.612937
where:
bonds (distance) C4'-P energy: -93.064
bonds (distance) P-C4' energy: -77.826
flat angles C4'-P-C4' energy: -73.826
flat angles P-C4'-P energy: -51.172
tors. eta vs tors. theta energy: 9.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -430.339540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.339540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.339540 (E_RNA)
where:
Base-Base interactions energy: -150.058
where: short stacking energy: -143.299
Base-Backbone interact. energy: -0.649
local terms energy: -279.633228
where:
bonds (distance) C4'-P energy: -79.181
bonds (distance) P-C4' energy: -77.152
flat angles C4'-P-C4' energy: -71.230
flat angles P-C4'-P energy: -54.452
tors. eta vs tors. theta energy: 2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -395.439850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.439850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.439850 (E_RNA)
where:
Base-Base interactions energy: -123.392
where: short stacking energy: -106.012
Base-Backbone interact. energy: 0.471
local terms energy: -272.518121
where:
bonds (distance) C4'-P energy: -81.958
bonds (distance) P-C4' energy: -79.876
flat angles C4'-P-C4' energy: -65.861
flat angles P-C4'-P energy: -49.270
tors. eta vs tors. theta energy: 4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -330.907969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.907969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.907969 (E_RNA)
where:
Base-Base interactions energy: -127.054
where: short stacking energy: -85.870
Base-Backbone interact. energy: 1.072
local terms energy: -204.926689
where:
bonds (distance) C4'-P energy: -77.012
bonds (distance) P-C4' energy: -71.660
flat angles C4'-P-C4' energy: -62.540
flat angles P-C4'-P energy: -22.585
tors. eta vs tors. theta energy: 28.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1241.977370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.977370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.977370 (E_RNA)
where:
Base-Base interactions energy: -766.353
where: short stacking energy: -456.583
Base-Backbone interact. energy: 6.967
local terms energy: -482.591536
where:
bonds (distance) C4'-P energy: -86.710
bonds (distance) P-C4' energy: -93.506
flat angles C4'-P-C4' energy: -101.374
flat angles P-C4'-P energy: -66.526
tors. eta vs tors. theta energy: -134.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1044.844744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.844744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.844744 (E_RNA)
where:
Base-Base interactions energy: -574.666
where: short stacking energy: -354.266
Base-Backbone interact. energy: -0.280
local terms energy: -469.899243
where:
bonds (distance) C4'-P energy: -93.808
bonds (distance) P-C4' energy: -104.033
flat angles C4'-P-C4' energy: -105.081
flat angles P-C4'-P energy: -65.165
tors. eta vs tors. theta energy: -101.812
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: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -880.777318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.777318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.777318 (E_RNA)
where:
Base-Base interactions energy: -471.666
where: short stacking energy: -285.813
Base-Backbone interact. energy: 0.852
local terms energy: -409.963182
where:
bonds (distance) C4'-P energy: -101.007
bonds (distance) P-C4' energy: -102.944
flat angles C4'-P-C4' energy: -77.785
flat angles P-C4'-P energy: -48.144
tors. eta vs tors. theta energy: -80.084
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: 7
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -775.937173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.937173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.937173 (E_RNA)
where:
Base-Base interactions energy: -405.592
where: short stacking energy: -252.644
Base-Backbone interact. energy: -1.854
local terms energy: -368.491273
where:
bonds (distance) C4'-P energy: -93.529
bonds (distance) P-C4' energy: -85.740
flat angles C4'-P-C4' energy: -89.581
flat angles P-C4'-P energy: -47.592
tors. eta vs tors. theta energy: -52.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -698.272812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.272812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.272812 (E_RNA)
where:
Base-Base interactions energy: -339.203
where: short stacking energy: -232.997
Base-Backbone interact. energy: 1.548
local terms energy: -360.617287
where:
bonds (distance) C4'-P energy: -81.254
bonds (distance) P-C4' energy: -74.184
flat angles C4'-P-C4' energy: -103.130
flat angles P-C4'-P energy: -57.651
tors. eta vs tors. theta energy: -44.398
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: 4
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -588.009685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.009685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.009685 (E_RNA)
where:
Base-Base interactions energy: -287.456
where: short stacking energy: -225.024
Base-Backbone interact. energy: -1.450
local terms energy: -299.103609
where:
bonds (distance) C4'-P energy: -73.845
bonds (distance) P-C4' energy: -69.254
flat angles C4'-P-C4' energy: -74.156
flat angles P-C4'-P energy: -46.204
tors. eta vs tors. theta energy: -35.645
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: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -511.029244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.029244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.029244 (E_RNA)
where:
Base-Base interactions energy: -192.799
where: short stacking energy: -172.090
Base-Backbone interact. energy: -1.012
local terms energy: -317.218515
where:
bonds (distance) C4'-P energy: -82.964
bonds (distance) P-C4' energy: -81.441
flat angles C4'-P-C4' energy: -69.861
flat angles P-C4'-P energy: -59.745
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -402.616573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.616573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.616573 (E_RNA)
where:
Base-Base interactions energy: -138.360
where: short stacking energy: -126.818
Base-Backbone interact. energy: -1.884
local terms energy: -262.373247
where:
bonds (distance) C4'-P energy: -79.606
bonds (distance) P-C4' energy: -82.044
flat angles C4'-P-C4' energy: -68.938
flat angles P-C4'-P energy: -37.665
tors. eta vs tors. theta energy: 5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -360.113467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.113467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.113467 (E_RNA)
where:
Base-Base interactions energy: -129.028
where: short stacking energy: -114.149
Base-Backbone interact. energy: -0.849
local terms energy: -230.237404
where:
bonds (distance) C4'-P energy: -71.979
bonds (distance) P-C4' energy: -62.445
flat angles C4'-P-C4' energy: -70.711
flat angles P-C4'-P energy: -27.070
tors. eta vs tors. theta energy: 1.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -359.070197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.070197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.070197 (E_RNA)
where:
Base-Base interactions energy: -125.843
where: short stacking energy: -105.537
Base-Backbone interact. energy: 1.194
local terms energy: -234.421271
where:
bonds (distance) C4'-P energy: -76.495
bonds (distance) P-C4' energy: -65.136
flat angles C4'-P-C4' energy: -64.756
flat angles P-C4'-P energy: -46.099
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: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1248.484358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.484358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.484358 (E_RNA)
where:
Base-Base interactions energy: -741.481
where: short stacking energy: -471.700
Base-Backbone interact. energy: -1.331
local terms energy: -505.671824
where:
bonds (distance) C4'-P energy: -81.248
bonds (distance) P-C4' energy: -93.838
flat angles C4'-P-C4' energy: -113.473
flat angles P-C4'-P energy: -69.997
tors. eta vs tors. theta energy: -147.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1036.616227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.616227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.616227 (E_RNA)
where:
Base-Base interactions energy: -592.800
where: short stacking energy: -388.689
Base-Backbone interact. energy: 0.121
local terms energy: -443.937131
where:
bonds (distance) C4'-P energy: -91.207
bonds (distance) P-C4' energy: -78.613
flat angles C4'-P-C4' energy: -92.756
flat angles P-C4'-P energy: -72.402
tors. eta vs tors. theta energy: -108.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -894.576368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.576368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.576368 (E_RNA)
where:
Base-Base interactions energy: -492.216
where: short stacking energy: -326.350
Base-Backbone interact. energy: -0.602
local terms energy: -401.757593
where:
bonds (distance) C4'-P energy: -91.197
bonds (distance) P-C4' energy: -83.041
flat angles C4'-P-C4' energy: -91.489
flat angles P-C4'-P energy: -54.931
tors. eta vs tors. theta energy: -81.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -771.373041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.373041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.373041 (E_RNA)
where:
Base-Base interactions energy: -400.908
where: short stacking energy: -246.574
Base-Backbone interact. energy: -2.257
local terms energy: -368.207263
where:
bonds (distance) C4'-P energy: -78.337
bonds (distance) P-C4' energy: -93.844
flat angles C4'-P-C4' energy: -87.298
flat angles P-C4'-P energy: -59.387
tors. eta vs tors. theta energy: -49.340
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: 9
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -682.607682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.607682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.607682 (E_RNA)
where:
Base-Base interactions energy: -327.614
where: short stacking energy: -213.726
Base-Backbone interact. energy: 0.756
local terms energy: -355.749654
where:
bonds (distance) C4'-P energy: -99.767
bonds (distance) P-C4' energy: -95.852
flat angles C4'-P-C4' energy: -80.726
flat angles P-C4'-P energy: -53.441
tors. eta vs tors. theta energy: -25.965
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: 6, replica: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -597.569073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.569073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.569073 (E_RNA)
where:
Base-Base interactions energy: -263.580
where: short stacking energy: -200.063
Base-Backbone interact. energy: -1.679
local terms energy: -332.309980
where:
bonds (distance) C4'-P energy: -71.947
bonds (distance) P-C4' energy: -89.838
flat angles C4'-P-C4' energy: -81.773
flat angles P-C4'-P energy: -57.856
tors. eta vs tors. theta energy: -30.896
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: 7, replica: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -503.270073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.270073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.270073 (E_RNA)
where:
Base-Base interactions energy: -190.208
where: short stacking energy: -131.224
Base-Backbone interact. energy: 0.198
local terms energy: -313.260042
where:
bonds (distance) C4'-P energy: -85.766
bonds (distance) P-C4' energy: -87.806
flat angles C4'-P-C4' energy: -76.517
flat angles P-C4'-P energy: -52.075
tors. eta vs tors. theta energy: -11.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -451.613229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.613229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.613229 (E_RNA)
where:
Base-Base interactions energy: -137.648
where: short stacking energy: -106.872
Base-Backbone interact. energy: -0.060
local terms energy: -313.904504
where:
bonds (distance) C4'-P energy: -83.033
bonds (distance) P-C4' energy: -94.289
flat angles C4'-P-C4' energy: -78.131
flat angles P-C4'-P energy: -52.211
tors. eta vs tors. theta energy: -6.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -380.792708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.792708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.792708 (E_RNA)
where:
Base-Base interactions energy: -115.492
where: short stacking energy: -98.879
Base-Backbone interact. energy: -1.216
local terms energy: -264.084595
where:
bonds (distance) C4'-P energy: -63.160
bonds (distance) P-C4' energy: -88.901
flat angles C4'-P-C4' energy: -80.795
flat angles P-C4'-P energy: -42.645
tors. eta vs tors. theta energy: 11.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -357.207483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.207483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.207483 (E_RNA)
where:
Base-Base interactions energy: -110.579
where: short stacking energy: -104.648
Base-Backbone interact. energy: 0.923
local terms energy: -247.551940
where:
bonds (distance) C4'-P energy: -85.392
bonds (distance) P-C4' energy: -79.155
flat angles C4'-P-C4' energy: -51.576
flat angles P-C4'-P energy: -42.497
tors. eta vs tors. theta energy: 11.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1224.293644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.293644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.293644 (E_RNA)
where:
Base-Base interactions energy: -739.254
where: short stacking energy: -438.031
Base-Backbone interact. energy: -1.644
local terms energy: -483.395434
where:
bonds (distance) C4'-P energy: -82.548
bonds (distance) P-C4' energy: -101.294
flat angles C4'-P-C4' energy: -99.719
flat angles P-C4'-P energy: -66.241
tors. eta vs tors. theta energy: -133.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1046.394752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.394752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.394752 (E_RNA)
where:
Base-Base interactions energy: -631.957
where: short stacking energy: -358.999
Base-Backbone interact. energy: 0.038
local terms energy: -414.475588
where:
bonds (distance) C4'-P energy: -81.390
bonds (distance) P-C4' energy: -87.477
flat angles C4'-P-C4' energy: -90.744
flat angles P-C4'-P energy: -56.501
tors. eta vs tors. theta energy: -98.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -902.831428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.831428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.831428 (E_RNA)
where:
Base-Base interactions energy: -521.022
where: short stacking energy: -302.291
Base-Backbone interact. energy: -1.270
local terms energy: -380.539395
where:
bonds (distance) C4'-P energy: -91.376
bonds (distance) P-C4' energy: -84.093
flat angles C4'-P-C4' energy: -86.628
flat angles P-C4'-P energy: -44.539
tors. eta vs tors. theta energy: -73.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -776.237548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.237548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.237548 (E_RNA)
where:
Base-Base interactions energy: -402.379
where: short stacking energy: -266.089
Base-Backbone interact. energy: 2.285
local terms energy: -376.143546
where:
bonds (distance) C4'-P energy: -86.448
bonds (distance) P-C4' energy: -92.543
flat angles C4'-P-C4' energy: -85.420
flat angles P-C4'-P energy: -59.576
tors. eta vs tors. theta energy: -52.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -669.770936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.770936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.770936 (E_RNA)
where:
Base-Base interactions energy: -313.849
where: short stacking energy: -214.841
Base-Backbone interact. energy: 4.768
local terms energy: -360.690764
where:
bonds (distance) C4'-P energy: -84.750
bonds (distance) P-C4' energy: -85.971
flat angles C4'-P-C4' energy: -94.564
flat angles P-C4'-P energy: -46.868
tors. eta vs tors. theta energy: -48.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -618.749535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.749535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.749535 (E_RNA)
where:
Base-Base interactions energy: -285.135
where: short stacking energy: -205.595
Base-Backbone interact. energy: -1.750
local terms energy: -331.864514
where:
bonds (distance) C4'-P energy: -81.426
bonds (distance) P-C4' energy: -96.401
flat angles C4'-P-C4' energy: -78.366
flat angles P-C4'-P energy: -48.260
tors. eta vs tors. theta energy: -27.412
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: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -435.946293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.946293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.946293 (E_RNA)
where:
Base-Base interactions energy: -162.693
where: short stacking energy: -115.777
Base-Backbone interact. energy: -1.795
local terms energy: -271.458310
where:
bonds (distance) C4'-P energy: -81.213
bonds (distance) P-C4' energy: -87.506
flat angles C4'-P-C4' energy: -74.515
flat angles P-C4'-P energy: -35.988
tors. eta vs tors. theta energy: 7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -420.770892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.770892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.770892 (E_RNA)
where:
Base-Base interactions energy: -159.079
where: short stacking energy: -141.951
Base-Backbone interact. energy: 3.077
local terms energy: -264.769165
where:
bonds (distance) C4'-P energy: -79.376
bonds (distance) P-C4' energy: -65.813
flat angles C4'-P-C4' energy: -67.589
flat angles P-C4'-P energy: -43.440
tors. eta vs tors. theta energy: -8.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -406.509280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.509280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.509280 (E_RNA)
where:
Base-Base interactions energy: -146.875
where: short stacking energy: -117.350
Base-Backbone interact. energy: 1.486
local terms energy: -261.120033
where:
bonds (distance) C4'-P energy: -75.817
bonds (distance) P-C4' energy: -90.858
flat angles C4'-P-C4' energy: -65.202
flat angles P-C4'-P energy: -33.841
tors. eta vs tors. theta energy: 4.598
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: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -348.885455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.885455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.885455 (E_RNA)
where:
Base-Base interactions energy: -94.163
where: short stacking energy: -84.116
Base-Backbone interact. energy: 1.674
local terms energy: -256.396434
where:
bonds (distance) C4'-P energy: -68.871
bonds (distance) P-C4' energy: -81.635
flat angles C4'-P-C4' energy: -62.886
flat angles P-C4'-P energy: -41.509
tors. eta vs tors. theta energy: -1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1225.540909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.540909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.540909 (E_RNA)
where:
Base-Base interactions energy: -739.128
where: short stacking energy: -443.067
Base-Backbone interact. energy: -1.446
local terms energy: -484.967001
where:
bonds (distance) C4'-P energy: -86.265
bonds (distance) P-C4' energy: -91.950
flat angles C4'-P-C4' energy: -103.890
flat angles P-C4'-P energy: -67.744
tors. eta vs tors. theta energy: -135.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1058.816695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.816695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.816695 (E_RNA)
where:
Base-Base interactions energy: -617.148
where: short stacking energy: -387.040
Base-Backbone interact. energy: -0.689
local terms energy: -440.979360
where:
bonds (distance) C4'-P energy: -87.805
bonds (distance) P-C4' energy: -92.574
flat angles C4'-P-C4' energy: -94.380
flat angles P-C4'-P energy: -56.065
tors. eta vs tors. theta energy: -110.156
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: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -931.417935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.417935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.417935 (E_RNA)
where:
Base-Base interactions energy: -526.285
where: short stacking energy: -334.511
Base-Backbone interact. energy: 1.764
local terms energy: -406.896956
where:
bonds (distance) C4'-P energy: -89.861
bonds (distance) P-C4' energy: -90.780
flat angles C4'-P-C4' energy: -78.707
flat angles P-C4'-P energy: -64.105
tors. eta vs tors. theta energy: -83.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -754.505028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.505028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.505028 (E_RNA)
where:
Base-Base interactions energy: -381.266
where: short stacking energy: -258.303
Base-Backbone interact. energy: -0.252
local terms energy: -372.987833
where:
bonds (distance) C4'-P energy: -78.961
bonds (distance) P-C4' energy: -84.205
flat angles C4'-P-C4' energy: -81.423
flat angles P-C4'-P energy: -69.078
tors. eta vs tors. theta energy: -59.321
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: 5, replica: 9
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -609.724620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.724620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.724620 (E_RNA)
where:
Base-Base interactions energy: -249.234
where: short stacking energy: -193.030
Base-Backbone interact. energy: -1.002
local terms energy: -359.488317
where:
bonds (distance) C4'-P energy: -78.506
bonds (distance) P-C4' energy: -93.532
flat angles C4'-P-C4' energy: -98.501
flat angles P-C4'-P energy: -62.662
tors. eta vs tors. theta energy: -26.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -551.790116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.790116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.790116 (E_RNA)
where:
Base-Base interactions energy: -239.189
where: short stacking energy: -187.812
Base-Backbone interact. energy: -1.154
local terms energy: -311.446976
where:
bonds (distance) C4'-P energy: -74.740
bonds (distance) P-C4' energy: -83.940
flat angles C4'-P-C4' energy: -78.941
flat angles P-C4'-P energy: -42.362
tors. eta vs tors. theta energy: -31.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -468.744884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.744884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.744884 (E_RNA)
where:
Base-Base interactions energy: -178.668
where: short stacking energy: -152.026
Base-Backbone interact. energy: -4.716
local terms energy: -285.361457
where:
bonds (distance) C4'-P energy: -66.998
bonds (distance) P-C4' energy: -86.133
flat angles C4'-P-C4' energy: -67.869
flat angles P-C4'-P energy: -50.095
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -438.821309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.821309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.821309 (E_RNA)
where:
Base-Base interactions energy: -165.190
where: short stacking energy: -151.061
Base-Backbone interact. energy: 0.218
local terms energy: -273.849582
where:
bonds (distance) C4'-P energy: -66.606
bonds (distance) P-C4' energy: -82.240
flat angles C4'-P-C4' energy: -91.040
flat angles P-C4'-P energy: -29.072
tors. eta vs tors. theta energy: -4.892
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: 9, replica: 1
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -398.203855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.203855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.203855 (E_RNA)
where:
Base-Base interactions energy: -134.898
where: short stacking energy: -127.786
Base-Backbone interact. energy: 5.013
local terms energy: -268.318753
where:
bonds (distance) C4'-P energy: -70.832
bonds (distance) P-C4' energy: -76.573
flat angles C4'-P-C4' energy: -77.932
flat angles P-C4'-P energy: -40.752
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -386.550339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.550339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.550339 (E_RNA)
where:
Base-Base interactions energy: -142.168
where: short stacking energy: -131.722
Base-Backbone interact. energy: 7.650
local terms energy: -252.032143
where:
bonds (distance) C4'-P energy: -74.230
bonds (distance) P-C4' energy: -98.143
flat angles C4'-P-C4' energy: -46.214
flat angles P-C4'-P energy: -39.211
tors. eta vs tors. theta energy: 5.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1226.588992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.588992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.588992 (E_RNA)
where:
Base-Base interactions energy: -743.875
where: short stacking energy: -445.948
Base-Backbone interact. energy: -0.738
local terms energy: -481.975425
where:
bonds (distance) C4'-P energy: -87.031
bonds (distance) P-C4' energy: -82.493
flat angles C4'-P-C4' energy: -105.064
flat angles P-C4'-P energy: -70.096
tors. eta vs tors. theta energy: -137.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1063.956856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.956856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.956856 (E_RNA)
where:
Base-Base interactions energy: -611.319
where: short stacking energy: -394.767
Base-Backbone interact. energy: -1.302
local terms energy: -451.335857
where:
bonds (distance) C4'-P energy: -97.234
bonds (distance) P-C4' energy: -85.598
flat angles C4'-P-C4' energy: -98.675
flat angles P-C4'-P energy: -54.008
tors. eta vs tors. theta energy: -115.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -915.024073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.024073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.024073 (E_RNA)
where:
Base-Base interactions energy: -487.582
where: short stacking energy: -319.510
Base-Backbone interact. energy: -1.419
local terms energy: -426.023366
where:
bonds (distance) C4'-P energy: -100.228
bonds (distance) P-C4' energy: -97.879
flat angles C4'-P-C4' energy: -87.114
flat angles P-C4'-P energy: -56.158
tors. eta vs tors. theta energy: -84.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -814.233139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.233139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.233139 (E_RNA)
where:
Base-Base interactions energy: -428.215
where: short stacking energy: -266.866
Base-Backbone interact. energy: -1.337
local terms energy: -384.681235
where:
bonds (distance) C4'-P energy: -83.001
bonds (distance) P-C4' energy: -94.847
flat angles C4'-P-C4' energy: -93.360
flat angles P-C4'-P energy: -55.562
tors. eta vs tors. theta energy: -57.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -618.508101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.508101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.508101 (E_RNA)
where:
Base-Base interactions energy: -288.894
where: short stacking energy: -212.145
Base-Backbone interact. energy: 0.795
local terms energy: -330.408941
where:
bonds (distance) C4'-P energy: -71.561
bonds (distance) P-C4' energy: -89.545
flat angles C4'-P-C4' energy: -91.870
flat angles P-C4'-P energy: -51.307
tors. eta vs tors. theta energy: -26.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -542.740350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.740350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.740350 (E_RNA)
where:
Base-Base interactions energy: -224.688
where: short stacking energy: -156.183
Base-Backbone interact. energy: 2.819
local terms energy: -320.871423
where:
bonds (distance) C4'-P energy: -81.042
bonds (distance) P-C4' energy: -78.132
flat angles C4'-P-C4' energy: -86.871
flat angles P-C4'-P energy: -48.393
tors. eta vs tors. theta energy: -26.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -494.203295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.203295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.203295 (E_RNA)
where:
Base-Base interactions energy: -201.971
where: short stacking energy: -174.439
Base-Backbone interact. energy: -1.422
local terms energy: -290.809799
where:
bonds (distance) C4'-P energy: -82.240
bonds (distance) P-C4' energy: -89.859
flat angles C4'-P-C4' energy: -59.662
flat angles P-C4'-P energy: -43.164
tors. eta vs tors. theta energy: -15.885
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: 332
Temperature: 1.250000
Total energy: -410.541930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.541930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.541930 (E_RNA)
where:
Base-Base interactions energy: -149.721
where: short stacking energy: -114.302
Base-Backbone interact. energy: -0.272
local terms energy: -260.548777
where:
bonds (distance) C4'-P energy: -80.205
bonds (distance) P-C4' energy: -85.707
flat angles C4'-P-C4' energy: -61.010
flat angles P-C4'-P energy: -48.610
tors. eta vs tors. theta energy: 14.983
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: 1
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -399.434489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.434489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.434489 (E_RNA)
where:
Base-Base interactions energy: -118.146
where: short stacking energy: -95.825
Base-Backbone interact. energy: 1.261
local terms energy: -282.549779
where:
bonds (distance) C4'-P energy: -83.393
bonds (distance) P-C4' energy: -92.480
flat angles C4'-P-C4' energy: -67.171
flat angles P-C4'-P energy: -48.461
tors. eta vs tors. theta energy: 8.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -352.693257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.693257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.693257 (E_RNA)
where:
Base-Base interactions energy: -115.275
where: short stacking energy: -94.682
Base-Backbone interact. energy: 5.992
local terms energy: -243.410499
where:
bonds (distance) C4'-P energy: -72.241
bonds (distance) P-C4' energy: -83.571
flat angles C4'-P-C4' energy: -63.674
flat angles P-C4'-P energy: -25.166
tors. eta vs tors. theta energy: 1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1218.260024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.260024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.260024 (E_RNA)
where:
Base-Base interactions energy: -711.728
where: short stacking energy: -439.137
Base-Backbone interact. energy: -0.491
local terms energy: -506.041229
where:
bonds (distance) C4'-P energy: -86.357
bonds (distance) P-C4' energy: -92.418
flat angles C4'-P-C4' energy: -104.942
flat angles P-C4'-P energy: -85.117
tors. eta vs tors. theta energy: -137.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1079.698751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.698751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.698751 (E_RNA)
where:
Base-Base interactions energy: -619.397
where: short stacking energy: -383.940
Base-Backbone interact. energy: -1.795
local terms energy: -458.506967
where:
bonds (distance) C4'-P energy: -81.620
bonds (distance) P-C4' energy: -95.152
flat angles C4'-P-C4' energy: -99.761
flat angles P-C4'-P energy: -71.391
tors. eta vs tors. theta energy: -110.582
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: 10
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -896.716257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.716257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.716257 (E_RNA)
where:
Base-Base interactions energy: -501.348
where: short stacking energy: -307.198
Base-Backbone interact. energy: -2.154
local terms energy: -393.214139
where:
bonds (distance) C4'-P energy: -83.870
bonds (distance) P-C4' energy: -86.618
flat angles C4'-P-C4' energy: -85.403
flat angles P-C4'-P energy: -70.445
tors. eta vs tors. theta energy: -66.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -816.878979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.878979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.878979 (E_RNA)
where:
Base-Base interactions energy: -422.156
where: short stacking energy: -257.795
Base-Backbone interact. energy: -0.866
local terms energy: -393.856749
where:
bonds (distance) C4'-P energy: -89.658
bonds (distance) P-C4' energy: -91.413
flat angles C4'-P-C4' energy: -92.787
flat angles P-C4'-P energy: -54.234
tors. eta vs tors. theta energy: -65.765
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: 4
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -645.183335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.183335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.183335 (E_RNA)
where:
Base-Base interactions energy: -315.102
where: short stacking energy: -215.063
Base-Backbone interact. energy: 0.576
local terms energy: -330.657258
where:
bonds (distance) C4'-P energy: -81.068
bonds (distance) P-C4' energy: -79.393
flat angles C4'-P-C4' energy: -83.094
flat angles P-C4'-P energy: -51.815
tors. eta vs tors. theta energy: -35.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -547.858855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.858855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.858855 (E_RNA)
where:
Base-Base interactions energy: -234.045
where: short stacking energy: -173.731
Base-Backbone interact. energy: -1.337
local terms energy: -312.476668
where:
bonds (distance) C4'-P energy: -73.816
bonds (distance) P-C4' energy: -88.055
flat angles C4'-P-C4' energy: -78.114
flat angles P-C4'-P energy: -47.463
tors. eta vs tors. theta energy: -25.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -442.121085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.121085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.121085 (E_RNA)
where:
Base-Base interactions energy: -165.243
where: short stacking energy: -128.071
Base-Backbone interact. energy: -0.545
local terms energy: -276.333194
where:
bonds (distance) C4'-P energy: -72.186
bonds (distance) P-C4' energy: -84.543
flat angles C4'-P-C4' energy: -73.057
flat angles P-C4'-P energy: -46.984
tors. eta vs tors. theta energy: 0.437
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: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -414.874850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.874850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.874850 (E_RNA)
where:
Base-Base interactions energy: -127.863
where: short stacking energy: -116.327
Base-Backbone interact. energy: -0.418
local terms energy: -286.593982
where:
bonds (distance) C4'-P energy: -75.610
bonds (distance) P-C4' energy: -85.430
flat angles C4'-P-C4' energy: -81.460
flat angles P-C4'-P energy: -29.000
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -373.170039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.170039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.170039 (E_RNA)
where:
Base-Base interactions energy: -118.556
where: short stacking energy: -101.587
Base-Backbone interact. energy: -0.499
local terms energy: -254.115207
where:
bonds (distance) C4'-P energy: -71.125
bonds (distance) P-C4' energy: -79.011
flat angles C4'-P-C4' energy: -71.394
flat angles P-C4'-P energy: -38.570
tors. eta vs tors. theta energy: 5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -348.736590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.736590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.736590 (E_RNA)
where:
Base-Base interactions energy: -107.632
where: short stacking energy: -87.569
Base-Backbone interact. energy: 2.368
local terms energy: -243.472202
where:
bonds (distance) C4'-P energy: -67.889
bonds (distance) P-C4' energy: -88.779
flat angles C4'-P-C4' energy: -72.630
flat angles P-C4'-P energy: -31.464
tors. eta vs tors. theta energy: 17.290
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: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1269.516688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.516688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.516688 (E_RNA)
where:
Base-Base interactions energy: -769.624
where: short stacking energy: -486.429
Base-Backbone interact. energy: -0.734
local terms energy: -499.158730
where:
bonds (distance) C4'-P energy: -88.475
bonds (distance) P-C4' energy: -91.653
flat angles C4'-P-C4' energy: -104.575
flat angles P-C4'-P energy: -66.595
tors. eta vs tors. theta energy: -147.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1093.453417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.453417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.453417 (E_RNA)
where:
Base-Base interactions energy: -628.260
where: short stacking energy: -388.815
Base-Backbone interact. energy: 4.188
local terms energy: -469.381549
where:
bonds (distance) C4'-P energy: -102.267
bonds (distance) P-C4' energy: -99.339
flat angles C4'-P-C4' energy: -98.790
flat angles P-C4'-P energy: -67.890
tors. eta vs tors. theta energy: -101.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -931.075069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.075069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.075069 (E_RNA)
where:
Base-Base interactions energy: -517.693
where: short stacking energy: -345.678
Base-Backbone interact. energy: -0.939
local terms energy: -412.443251
where:
bonds (distance) C4'-P energy: -74.118
bonds (distance) P-C4' energy: -95.660
flat angles C4'-P-C4' energy: -89.148
flat angles P-C4'-P energy: -55.784
tors. eta vs tors. theta energy: -97.734
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: 334
Temperature: 1.050000
Total energy: -805.429835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.429835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.429835 (E_RNA)
where:
Base-Base interactions energy: -425.430
where: short stacking energy: -270.504
Base-Backbone interact. energy: 2.311
local terms energy: -382.311175
where:
bonds (distance) C4'-P energy: -83.019
bonds (distance) P-C4' energy: -98.901
flat angles C4'-P-C4' energy: -87.172
flat angles P-C4'-P energy: -51.070
tors. eta vs tors. theta energy: -62.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -704.388794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.388794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.388794 (E_RNA)
where:
Base-Base interactions energy: -348.303
where: short stacking energy: -240.310
Base-Backbone interact. energy: -0.775
local terms energy: -355.311310
where:
bonds (distance) C4'-P energy: -67.842
bonds (distance) P-C4' energy: -88.509
flat angles C4'-P-C4' energy: -93.580
flat angles P-C4'-P energy: -56.031
tors. eta vs tors. theta energy: -49.348
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: 334
Temperature: 1.150000
Total energy: -549.043962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.043962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.043962 (E_RNA)
where:
Base-Base interactions energy: -233.914
where: short stacking energy: -169.946
Base-Backbone interact. energy: 0.049
local terms energy: -315.179608
where:
bonds (distance) C4'-P energy: -69.940
bonds (distance) P-C4' energy: -76.796
flat angles C4'-P-C4' energy: -90.379
flat angles P-C4'-P energy: -63.184
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: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -478.537942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.537942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.537942 (E_RNA)
where:
Base-Base interactions energy: -168.902
where: short stacking energy: -160.639
Base-Backbone interact. energy: -1.681
local terms energy: -307.955224
where:
bonds (distance) C4'-P energy: -84.098
bonds (distance) P-C4' energy: -82.783
flat angles C4'-P-C4' energy: -74.805
flat angles P-C4'-P energy: -38.533
tors. eta vs tors. theta energy: -27.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -422.787489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.787489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.787489 (E_RNA)
where:
Base-Base interactions energy: -139.151
where: short stacking energy: -123.462
Base-Backbone interact. energy: -1.618
local terms energy: -282.018794
where:
bonds (distance) C4'-P energy: -76.912
bonds (distance) P-C4' energy: -82.599
flat angles C4'-P-C4' energy: -74.831
flat angles P-C4'-P energy: -46.698
tors. eta vs tors. theta energy: -0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -414.353751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.353751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.353751 (E_RNA)
where:
Base-Base interactions energy: -147.394
where: short stacking energy: -118.426
Base-Backbone interact. energy: -1.918
local terms energy: -265.042056
where:
bonds (distance) C4'-P energy: -59.792
bonds (distance) P-C4' energy: -91.189
flat angles C4'-P-C4' energy: -74.400
flat angles P-C4'-P energy: -38.446
tors. eta vs tors. theta energy: -1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -341.140958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.140958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.140958 (E_RNA)
where:
Base-Base interactions energy: -88.701
where: short stacking energy: -80.711
Base-Backbone interact. energy: -1.045
local terms energy: -251.395256
where:
bonds (distance) C4'-P energy: -90.628
bonds (distance) P-C4' energy: -91.411
flat angles C4'-P-C4' energy: -55.470
flat angles P-C4'-P energy: -32.349
tors. eta vs tors. theta energy: 18.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1281.122438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.122438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.122438 (E_RNA)
where:
Base-Base interactions energy: -767.212
where: short stacking energy: -473.730
Base-Backbone interact. energy: 2.771
local terms energy: -516.681037
where:
bonds (distance) C4'-P energy: -85.951
bonds (distance) P-C4' energy: -95.890
flat angles C4'-P-C4' energy: -116.005
flat angles P-C4'-P energy: -70.964
tors. eta vs tors. theta energy: -147.871
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: 2, replica: 6
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1090.643921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.643921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.643921 (E_RNA)
where:
Base-Base interactions energy: -629.308
where: short stacking energy: -386.961
Base-Backbone interact. energy: -3.629
local terms energy: -457.706706
where:
bonds (distance) C4'-P energy: -83.938
bonds (distance) P-C4' energy: -103.511
flat angles C4'-P-C4' energy: -98.061
flat angles P-C4'-P energy: -62.979
tors. eta vs tors. theta energy: -109.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -924.121056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.121056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.121056 (E_RNA)
where:
Base-Base interactions energy: -491.958
where: short stacking energy: -311.816
Base-Backbone interact. energy: -2.037
local terms energy: -430.126752
where:
bonds (distance) C4'-P energy: -85.427
bonds (distance) P-C4' energy: -95.108
flat angles C4'-P-C4' energy: -98.478
flat angles P-C4'-P energy: -65.107
tors. eta vs tors. theta energy: -86.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -737.047473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.047473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.047473 (E_RNA)
where:
Base-Base interactions energy: -372.720
where: short stacking energy: -226.268
Base-Backbone interact. energy: -1.539
local terms energy: -362.788137
where:
bonds (distance) C4'-P energy: -84.784
bonds (distance) P-C4' energy: -92.222
flat angles C4'-P-C4' energy: -77.605
flat angles P-C4'-P energy: -50.625
tors. eta vs tors. theta energy: -57.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -679.367832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.367832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.367832 (E_RNA)
where:
Base-Base interactions energy: -339.240
where: short stacking energy: -246.520
Base-Backbone interact. energy: 1.360
local terms energy: -341.487487
where:
bonds (distance) C4'-P energy: -71.962
bonds (distance) P-C4' energy: -78.805
flat angles C4'-P-C4' energy: -87.123
flat angles P-C4'-P energy: -65.867
tors. eta vs tors. theta energy: -37.730
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: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -485.452281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.452281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.452281 (E_RNA)
where:
Base-Base interactions energy: -169.057
where: short stacking energy: -156.098
Base-Backbone interact. energy: -2.212
local terms energy: -314.182984
where:
bonds (distance) C4'-P energy: -84.864
bonds (distance) P-C4' energy: -88.765
flat angles C4'-P-C4' energy: -86.197
flat angles P-C4'-P energy: -40.334
tors. eta vs tors. theta energy: -14.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -498.225704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.225704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.225704 (E_RNA)
where:
Base-Base interactions energy: -199.944
where: short stacking energy: -169.187
Base-Backbone interact. energy: -1.111
local terms energy: -297.170843
where:
bonds (distance) C4'-P energy: -75.419
bonds (distance) P-C4' energy: -83.476
flat angles C4'-P-C4' energy: -75.650
flat angles P-C4'-P energy: -43.665
tors. eta vs tors. theta energy: -18.961
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: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -417.994855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.994855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.994855 (E_RNA)
where:
Base-Base interactions energy: -176.743
where: short stacking energy: -142.439
Base-Backbone interact. energy: 2.352
local terms energy: -243.603860
where:
bonds (distance) C4'-P energy: -65.052
bonds (distance) P-C4' energy: -74.854
flat angles C4'-P-C4' energy: -73.310
flat angles P-C4'-P energy: -31.827
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: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -391.390292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.390292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.390292 (E_RNA)
where:
Base-Base interactions energy: -129.327
where: short stacking energy: -116.352
Base-Backbone interact. energy: 0.120
local terms energy: -262.182432
where:
bonds (distance) C4'-P energy: -69.325
bonds (distance) P-C4' energy: -88.279
flat angles C4'-P-C4' energy: -54.135
flat angles P-C4'-P energy: -43.335
tors. eta vs tors. theta energy: -7.108
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: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -355.038004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.038004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.038004 (E_RNA)
where:
Base-Base interactions energy: -134.354
where: short stacking energy: -123.321
Base-Backbone interact. energy: 3.291
local terms energy: -223.974947
where:
bonds (distance) C4'-P energy: -73.869
bonds (distance) P-C4' energy: -74.993
flat angles C4'-P-C4' energy: -60.617
flat angles P-C4'-P energy: -26.191
tors. eta vs tors. theta energy: 11.695
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: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1255.898750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.898750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.898750 (E_RNA)
where:
Base-Base interactions energy: -761.376
where: short stacking energy: -472.834
Base-Backbone interact. energy: 1.525
local terms energy: -496.047996
where:
bonds (distance) C4'-P energy: -86.957
bonds (distance) P-C4' energy: -89.444
flat angles C4'-P-C4' energy: -105.683
flat angles P-C4'-P energy: -74.493
tors. eta vs tors. theta energy: -139.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1090.426984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.426984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.426984 (E_RNA)
where:
Base-Base interactions energy: -654.945
where: short stacking energy: -388.163
Base-Backbone interact. energy: 2.556
local terms energy: -438.037871
where:
bonds (distance) C4'-P energy: -94.937
bonds (distance) P-C4' energy: -84.359
flat angles C4'-P-C4' energy: -95.375
flat angles P-C4'-P energy: -52.499
tors. eta vs tors. theta energy: -110.869
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: 10
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -893.085323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.085323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.085323 (E_RNA)
where:
Base-Base interactions energy: -501.720
where: short stacking energy: -309.721
Base-Backbone interact. energy: -0.185
local terms energy: -391.179835
where:
bonds (distance) C4'-P energy: -86.054
bonds (distance) P-C4' energy: -94.615
flat angles C4'-P-C4' energy: -73.187
flat angles P-C4'-P energy: -59.437
tors. eta vs tors. theta energy: -77.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -799.498913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.498913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.498913 (E_RNA)
where:
Base-Base interactions energy: -427.387
where: short stacking energy: -275.929
Base-Backbone interact. energy: -1.249
local terms energy: -370.862731
where:
bonds (distance) C4'-P energy: -81.569
bonds (distance) P-C4' energy: -87.884
flat angles C4'-P-C4' energy: -98.351
flat angles P-C4'-P energy: -47.072
tors. eta vs tors. theta energy: -55.987
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: 5, replica: 4
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -651.140096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.140096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.140096 (E_RNA)
where:
Base-Base interactions energy: -279.274
where: short stacking energy: -192.319
Base-Backbone interact. energy: -1.502
local terms energy: -370.364100
where:
bonds (distance) C4'-P energy: -85.362
bonds (distance) P-C4' energy: -100.180
flat angles C4'-P-C4' energy: -79.317
flat angles P-C4'-P energy: -62.776
tors. eta vs tors. theta energy: -42.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -506.263641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.263641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.263641 (E_RNA)
where:
Base-Base interactions energy: -191.143
where: short stacking energy: -145.336
Base-Backbone interact. energy: 2.701
local terms energy: -317.822133
where:
bonds (distance) C4'-P energy: -73.446
bonds (distance) P-C4' energy: -86.195
flat angles C4'-P-C4' energy: -84.455
flat angles P-C4'-P energy: -59.114
tors. eta vs tors. theta energy: -14.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -449.855660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.855660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.855660 (E_RNA)
where:
Base-Base interactions energy: -161.517
where: short stacking energy: -130.961
Base-Backbone interact. energy: -0.014
local terms energy: -288.325347
where:
bonds (distance) C4'-P energy: -82.801
bonds (distance) P-C4' energy: -74.913
flat angles C4'-P-C4' energy: -79.927
flat angles P-C4'-P energy: -59.118
tors. eta vs tors. theta energy: 8.434
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: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -416.466992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.466992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.466992 (E_RNA)
where:
Base-Base interactions energy: -139.151
where: short stacking energy: -126.390
Base-Backbone interact. energy: -1.653
local terms energy: -275.662806
where:
bonds (distance) C4'-P energy: -78.102
bonds (distance) P-C4' energy: -83.399
flat angles C4'-P-C4' energy: -75.271
flat angles P-C4'-P energy: -43.783
tors. eta vs tors. theta energy: 4.893
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: 3
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -392.542538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.542538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.542538 (E_RNA)
where:
Base-Base interactions energy: -131.247
where: short stacking energy: -109.497
Base-Backbone interact. energy: 5.977
local terms energy: -267.272474
where:
bonds (distance) C4'-P energy: -74.482
bonds (distance) P-C4' energy: -91.548
flat angles C4'-P-C4' energy: -53.641
flat angles P-C4'-P energy: -56.594
tors. eta vs tors. theta energy: 8.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -359.754482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.754482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.754482 (E_RNA)
where:
Base-Base interactions energy: -116.902
where: short stacking energy: -107.926
Base-Backbone interact. energy: 6.919
local terms energy: -249.771109
where:
bonds (distance) C4'-P energy: -67.039
bonds (distance) P-C4' energy: -94.296
flat angles C4'-P-C4' energy: -60.362
flat angles P-C4'-P energy: -36.309
tors. eta vs tors. theta energy: 8.234
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: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1238.072646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.072646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.072646 (E_RNA)
where:
Base-Base interactions energy: -758.316
where: short stacking energy: -443.664
Base-Backbone interact. energy: -0.925
local terms energy: -478.832241
where:
bonds (distance) C4'-P energy: -83.461
bonds (distance) P-C4' energy: -95.049
flat angles C4'-P-C4' energy: -106.731
flat angles P-C4'-P energy: -66.441
tors. eta vs tors. theta energy: -127.150
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: 6
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1090.010309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.010309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.010309 (E_RNA)
where:
Base-Base interactions energy: -652.977
where: short stacking energy: -380.016
Base-Backbone interact. energy: -1.724
local terms energy: -435.309820
where:
bonds (distance) C4'-P energy: -85.447
bonds (distance) P-C4' energy: -82.685
flat angles C4'-P-C4' energy: -93.159
flat angles P-C4'-P energy: -63.945
tors. eta vs tors. theta energy: -110.074
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: 3, replica: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -858.392993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.392993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.392993 (E_RNA)
where:
Base-Base interactions energy: -475.793
where: short stacking energy: -313.414
Base-Backbone interact. energy: -1.044
local terms energy: -381.555816
where:
bonds (distance) C4'-P energy: -87.257
bonds (distance) P-C4' energy: -93.858
flat angles C4'-P-C4' energy: -78.935
flat angles P-C4'-P energy: -47.288
tors. eta vs tors. theta energy: -74.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -810.747015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.747015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.747015 (E_RNA)
where:
Base-Base interactions energy: -401.889
where: short stacking energy: -276.180
Base-Backbone interact. energy: 2.165
local terms energy: -411.022499
where:
bonds (distance) C4'-P energy: -87.224
bonds (distance) P-C4' energy: -99.970
flat angles C4'-P-C4' energy: -91.641
flat angles P-C4'-P energy: -67.459
tors. eta vs tors. theta energy: -64.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -662.135501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.135501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.135501 (E_RNA)
where:
Base-Base interactions energy: -309.096
where: short stacking energy: -216.818
Base-Backbone interact. energy: 0.267
local terms energy: -353.306901
where:
bonds (distance) C4'-P energy: -87.721
bonds (distance) P-C4' energy: -94.586
flat angles C4'-P-C4' energy: -92.378
flat angles P-C4'-P energy: -49.104
tors. eta vs tors. theta energy: -29.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -520.684637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.684637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.684637 (E_RNA)
where:
Base-Base interactions energy: -212.190
where: short stacking energy: -152.089
Base-Backbone interact. energy: -1.363
local terms energy: -307.132025
where:
bonds (distance) C4'-P energy: -91.137
bonds (distance) P-C4' energy: -84.567
flat angles C4'-P-C4' energy: -62.918
flat angles P-C4'-P energy: -50.491
tors. eta vs tors. theta energy: -18.020
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: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -450.203999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.203999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.203999 (E_RNA)
where:
Base-Base interactions energy: -162.768
where: short stacking energy: -146.387
Base-Backbone interact. energy: -0.626
local terms energy: -286.809794
where:
bonds (distance) C4'-P energy: -84.528
bonds (distance) P-C4' energy: -79.651
flat angles C4'-P-C4' energy: -79.256
flat angles P-C4'-P energy: -43.066
tors. eta vs tors. theta energy: -0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -431.197459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.197459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.197459 (E_RNA)
where:
Base-Base interactions energy: -159.589
where: short stacking energy: -149.083
Base-Backbone interact. energy: 0.276
local terms energy: -271.883890
where:
bonds (distance) C4'-P energy: -62.397
bonds (distance) P-C4' energy: -83.896
flat angles C4'-P-C4' energy: -77.531
flat angles P-C4'-P energy: -32.797
tors. eta vs tors. theta energy: -15.262
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: 337
Temperature: 1.300000
Total energy: -412.542966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.542966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.542966 (E_RNA)
where:
Base-Base interactions energy: -134.267
where: short stacking energy: -133.078
Base-Backbone interact. energy: 0.158
local terms energy: -278.434028
where:
bonds (distance) C4'-P energy: -69.484
bonds (distance) P-C4' energy: -83.778
flat angles C4'-P-C4' energy: -79.207
flat angles P-C4'-P energy: -46.797
tors. eta vs tors. theta energy: 0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -379.992682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.992682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.992682 (E_RNA)
where:
Base-Base interactions energy: -126.110
where: short stacking energy: -105.486
Base-Backbone interact. energy: -2.173
local terms energy: -251.709614
where:
bonds (distance) C4'-P energy: -76.105
bonds (distance) P-C4' energy: -85.145
flat angles C4'-P-C4' energy: -77.091
flat angles P-C4'-P energy: -25.584
tors. eta vs tors. theta energy: 12.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1241.712252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.712252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.712252 (E_RNA)
where:
Base-Base interactions energy: -735.837
where: short stacking energy: -462.696
Base-Backbone interact. energy: -0.721
local terms energy: -505.153425
where:
bonds (distance) C4'-P energy: -95.520
bonds (distance) P-C4' energy: -92.182
flat angles C4'-P-C4' energy: -103.050
flat angles P-C4'-P energy: -78.033
tors. eta vs tors. theta energy: -136.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1097.290143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.290143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.290143 (E_RNA)
where:
Base-Base interactions energy: -629.876
where: short stacking energy: -386.654
Base-Backbone interact. energy: -1.049
local terms energy: -466.365613
where:
bonds (distance) C4'-P energy: -90.934
bonds (distance) P-C4' energy: -91.226
flat angles C4'-P-C4' energy: -102.715
flat angles P-C4'-P energy: -67.231
tors. eta vs tors. theta energy: -114.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -826.912057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.912057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.912057 (E_RNA)
where:
Base-Base interactions energy: -439.202
where: short stacking energy: -261.653
Base-Backbone interact. energy: -1.437
local terms energy: -386.273659
where:
bonds (distance) C4'-P energy: -82.636
bonds (distance) P-C4' energy: -93.771
flat angles C4'-P-C4' energy: -89.243
flat angles P-C4'-P energy: -61.311
tors. eta vs tors. theta energy: -59.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -781.267558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.267558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.267558 (E_RNA)
where:
Base-Base interactions energy: -409.560
where: short stacking energy: -255.325
Base-Backbone interact. energy: -3.376
local terms energy: -368.331188
where:
bonds (distance) C4'-P energy: -92.221
bonds (distance) P-C4' energy: -87.323
flat angles C4'-P-C4' energy: -81.063
flat angles P-C4'-P energy: -57.255
tors. eta vs tors. theta energy: -50.470
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: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -648.194281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.194281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.194281 (E_RNA)
where:
Base-Base interactions energy: -314.366
where: short stacking energy: -193.659
Base-Backbone interact. energy: -2.802
local terms energy: -331.025497
where:
bonds (distance) C4'-P energy: -83.270
bonds (distance) P-C4' energy: -89.434
flat angles C4'-P-C4' energy: -88.232
flat angles P-C4'-P energy: -48.523
tors. eta vs tors. theta energy: -21.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -517.421332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.421332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.421332 (E_RNA)
where:
Base-Base interactions energy: -224.731
where: short stacking energy: -176.484
Base-Backbone interact. energy: 1.269
local terms energy: -293.958793
where:
bonds (distance) C4'-P energy: -77.039
bonds (distance) P-C4' energy: -80.059
flat angles C4'-P-C4' energy: -82.031
flat angles P-C4'-P energy: -38.426
tors. eta vs tors. theta energy: -16.404
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: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -451.716130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.716130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.716130 (E_RNA)
where:
Base-Base interactions energy: -147.129
where: short stacking energy: -132.166
Base-Backbone interact. energy: 1.942
local terms energy: -306.528994
where:
bonds (distance) C4'-P energy: -78.676
bonds (distance) P-C4' energy: -82.927
flat angles C4'-P-C4' energy: -80.470
flat angles P-C4'-P energy: -52.374
tors. eta vs tors. theta energy: -12.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -434.655966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.655966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.655966 (E_RNA)
where:
Base-Base interactions energy: -176.037
where: short stacking energy: -144.969
Base-Backbone interact. energy: 2.349
local terms energy: -260.968774
where:
bonds (distance) C4'-P energy: -73.534
bonds (distance) P-C4' energy: -74.136
flat angles C4'-P-C4' energy: -75.083
flat angles P-C4'-P energy: -34.529
tors. eta vs tors. theta energy: -3.687
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: 9, replica: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -399.035123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.035123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.035123 (E_RNA)
where:
Base-Base interactions energy: -143.403
where: short stacking energy: -122.843
Base-Backbone interact. energy: -1.450
local terms energy: -254.182223
where:
bonds (distance) C4'-P energy: -64.381
bonds (distance) P-C4' energy: -83.533
flat angles C4'-P-C4' energy: -62.787
flat angles P-C4'-P energy: -50.459
tors. eta vs tors. theta energy: 6.979
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: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -371.562568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.562568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.562568 (E_RNA)
where:
Base-Base interactions energy: -117.833
where: short stacking energy: -98.160
Base-Backbone interact. energy: -1.222
local terms energy: -252.507291
where:
bonds (distance) C4'-P energy: -75.359
bonds (distance) P-C4' energy: -91.477
flat angles C4'-P-C4' energy: -55.723
flat angles P-C4'-P energy: -37.227
tors. eta vs tors. theta energy: 7.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1255.125107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.125107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.125107 (E_RNA)
where:
Base-Base interactions energy: -768.317
where: short stacking energy: -467.120
Base-Backbone interact. energy: -0.047
local terms energy: -486.761457
where:
bonds (distance) C4'-P energy: -90.154
bonds (distance) P-C4' energy: -83.348
flat angles C4'-P-C4' energy: -113.311
flat angles P-C4'-P energy: -65.659
tors. eta vs tors. theta energy: -134.290
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: 6
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1102.900576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.900576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.900576 (E_RNA)
where:
Base-Base interactions energy: -642.782
where: short stacking energy: -396.534
Base-Backbone interact. energy: -1.327
local terms energy: -458.791357
where:
bonds (distance) C4'-P energy: -80.508
bonds (distance) P-C4' energy: -100.304
flat angles C4'-P-C4' energy: -96.122
flat angles P-C4'-P energy: -70.092
tors. eta vs tors. theta energy: -111.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -837.978219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.978219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.978219 (E_RNA)
where:
Base-Base interactions energy: -448.667
where: short stacking energy: -285.807
Base-Backbone interact. energy: -1.914
local terms energy: -387.397256
where:
bonds (distance) C4'-P energy: -81.345
bonds (distance) P-C4' energy: -99.994
flat angles C4'-P-C4' energy: -89.770
flat angles P-C4'-P energy: -61.224
tors. eta vs tors. theta energy: -55.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -778.558526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.558526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.558526 (E_RNA)
where:
Base-Base interactions energy: -405.428
where: short stacking energy: -244.278
Base-Backbone interact. energy: -2.597
local terms energy: -370.533698
where:
bonds (distance) C4'-P energy: -78.684
bonds (distance) P-C4' energy: -93.650
flat angles C4'-P-C4' energy: -86.131
flat angles P-C4'-P energy: -62.930
tors. eta vs tors. theta energy: -49.138
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: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -677.984608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.984608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.984608 (E_RNA)
where:
Base-Base interactions energy: -330.165
where: short stacking energy: -223.569
Base-Backbone interact. energy: 2.172
local terms energy: -349.991736
where:
bonds (distance) C4'-P energy: -82.830
bonds (distance) P-C4' energy: -85.987
flat angles C4'-P-C4' energy: -78.774
flat angles P-C4'-P energy: -52.537
tors. eta vs tors. theta energy: -49.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -537.099343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.099343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.099343 (E_RNA)
where:
Base-Base interactions energy: -230.926
where: short stacking energy: -187.213
Base-Backbone interact. energy: -2.537
local terms energy: -303.636881
where:
bonds (distance) C4'-P energy: -94.782
bonds (distance) P-C4' energy: -78.207
flat angles C4'-P-C4' energy: -74.186
flat angles P-C4'-P energy: -29.434
tors. eta vs tors. theta energy: -27.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -430.487324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.487324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.487324 (E_RNA)
where:
Base-Base interactions energy: -142.009
where: short stacking energy: -130.310
Base-Backbone interact. energy: -0.539
local terms energy: -287.939140
where:
bonds (distance) C4'-P energy: -86.641
bonds (distance) P-C4' energy: -82.982
flat angles C4'-P-C4' energy: -69.625
flat angles P-C4'-P energy: -49.850
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: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -408.242451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.242451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.242451 (E_RNA)
where:
Base-Base interactions energy: -145.923
where: short stacking energy: -145.386
Base-Backbone interact. energy: -0.818
local terms energy: -261.501903
where:
bonds (distance) C4'-P energy: -87.464
bonds (distance) P-C4' energy: -78.723
flat angles C4'-P-C4' energy: -56.685
flat angles P-C4'-P energy: -33.832
tors. eta vs tors. theta energy: -4.798
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: 9, replica: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -388.879715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.879715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.879715 (E_RNA)
where:
Base-Base interactions energy: -153.202
where: short stacking energy: -117.578
Base-Backbone interact. energy: -1.266
local terms energy: -234.411732
where:
bonds (distance) C4'-P energy: -67.358
bonds (distance) P-C4' energy: -73.584
flat angles C4'-P-C4' energy: -62.978
flat angles P-C4'-P energy: -33.967
tors. eta vs tors. theta energy: 3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -341.139330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.139330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.139330 (E_RNA)
where:
Base-Base interactions energy: -108.890
where: short stacking energy: -99.600
Base-Backbone interact. energy: -1.510
local terms energy: -230.739969
where:
bonds (distance) C4'-P energy: -69.385
bonds (distance) P-C4' energy: -67.546
flat angles C4'-P-C4' energy: -71.322
flat angles P-C4'-P energy: -33.449
tors. eta vs tors. theta energy: 10.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1281.750892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.750892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.750892 (E_RNA)
where:
Base-Base interactions energy: -760.726
where: short stacking energy: -460.542
Base-Backbone interact. energy: 0.111
local terms energy: -521.136718
where:
bonds (distance) C4'-P energy: -89.383
bonds (distance) P-C4' energy: -98.278
flat angles C4'-P-C4' energy: -115.939
flat angles P-C4'-P energy: -70.067
tors. eta vs tors. theta energy: -147.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1095.522292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.522292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.522292 (E_RNA)
where:
Base-Base interactions energy: -639.067
where: short stacking energy: -376.906
Base-Backbone interact. energy: -0.161
local terms energy: -456.294378
where:
bonds (distance) C4'-P energy: -86.110
bonds (distance) P-C4' energy: -92.851
flat angles C4'-P-C4' energy: -94.483
flat angles P-C4'-P energy: -72.007
tors. eta vs tors. theta energy: -110.842
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: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -898.817250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.817250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.817250 (E_RNA)
where:
Base-Base interactions energy: -488.842
where: short stacking energy: -311.609
Base-Backbone interact. energy: -0.416
local terms energy: -409.559613
where:
bonds (distance) C4'-P energy: -90.249
bonds (distance) P-C4' energy: -91.127
flat angles C4'-P-C4' energy: -86.426
flat angles P-C4'-P energy: -64.464
tors. eta vs tors. theta energy: -77.295
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: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -803.351744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.351744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.351744 (E_RNA)
where:
Base-Base interactions energy: -421.659
where: short stacking energy: -284.982
Base-Backbone interact. energy: 0.022
local terms energy: -381.714295
where:
bonds (distance) C4'-P energy: -92.703
bonds (distance) P-C4' energy: -94.247
flat angles C4'-P-C4' energy: -84.080
flat angles P-C4'-P energy: -42.924
tors. eta vs tors. theta energy: -67.760
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: 5, replica: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -644.368746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.368746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.368746 (E_RNA)
where:
Base-Base interactions energy: -318.786
where: short stacking energy: -217.026
Base-Backbone interact. energy: 1.093
local terms energy: -326.675578
where:
bonds (distance) C4'-P energy: -82.891
bonds (distance) P-C4' energy: -70.885
flat angles C4'-P-C4' energy: -84.881
flat angles P-C4'-P energy: -50.822
tors. eta vs tors. theta energy: -37.197
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: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -513.272433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.272433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.272433 (E_RNA)
where:
Base-Base interactions energy: -215.952
where: short stacking energy: -164.215
Base-Backbone interact. energy: 0.825
local terms energy: -298.145376
where:
bonds (distance) C4'-P energy: -71.484
bonds (distance) P-C4' energy: -80.638
flat angles C4'-P-C4' energy: -74.276
flat angles P-C4'-P energy: -56.586
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -425.739582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.739582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.739582 (E_RNA)
where:
Base-Base interactions energy: -155.744
where: short stacking energy: -129.438
Base-Backbone interact. energy: 1.290
local terms energy: -271.285462
where:
bonds (distance) C4'-P energy: -71.751
bonds (distance) P-C4' energy: -76.446
flat angles C4'-P-C4' energy: -68.519
flat angles P-C4'-P energy: -50.594
tors. eta vs tors. theta energy: -3.975
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: 340
Temperature: 1.250000
Total energy: -423.692876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.692876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.692876 (E_RNA)
where:
Base-Base interactions energy: -148.947
where: short stacking energy: -129.296
Base-Backbone interact. energy: 0.213
local terms energy: -274.959127
where:
bonds (distance) C4'-P energy: -77.603
bonds (distance) P-C4' energy: -88.839
flat angles C4'-P-C4' energy: -76.966
flat angles P-C4'-P energy: -29.894
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -377.846133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.846133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.846133 (E_RNA)
where:
Base-Base interactions energy: -118.798
where: short stacking energy: -109.522
Base-Backbone interact. energy: -0.183
local terms energy: -258.864986
where:
bonds (distance) C4'-P energy: -76.724
bonds (distance) P-C4' energy: -86.289
flat angles C4'-P-C4' energy: -49.539
flat angles P-C4'-P energy: -50.337
tors. eta vs tors. theta energy: 4.024
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: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -381.762946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.762946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.762946 (E_RNA)
where:
Base-Base interactions energy: -147.450
where: short stacking energy: -114.333
Base-Backbone interact. energy: 1.191
local terms energy: -235.504263
where:
bonds (distance) C4'-P energy: -79.628
bonds (distance) P-C4' energy: -58.730
flat angles C4'-P-C4' energy: -61.530
flat angles P-C4'-P energy: -35.129
tors. eta vs tors. theta energy: -0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1292.134263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.134263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.134263 (E_RNA)
where:
Base-Base interactions energy: -778.921
where: short stacking energy: -465.746
Base-Backbone interact. energy: -1.161
local terms energy: -512.051731
where:
bonds (distance) C4'-P energy: -83.320
bonds (distance) P-C4' energy: -93.410
flat angles C4'-P-C4' energy: -109.930
flat angles P-C4'-P energy: -81.586
tors. eta vs tors. theta energy: -143.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1156.154083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.154083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.154083 (E_RNA)
where:
Base-Base interactions energy: -668.272
where: short stacking energy: -405.571
Base-Backbone interact. energy: -0.020
local terms energy: -487.862380
where:
bonds (distance) C4'-P energy: -89.207
bonds (distance) P-C4' energy: -96.746
flat angles C4'-P-C4' energy: -102.309
flat angles P-C4'-P energy: -74.559
tors. eta vs tors. theta energy: -125.040
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: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -877.771758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.771758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.771758 (E_RNA)
where:
Base-Base interactions energy: -477.050
where: short stacking energy: -321.943
Base-Backbone interact. energy: -1.337
local terms energy: -399.384737
where:
bonds (distance) C4'-P energy: -83.023
bonds (distance) P-C4' energy: -86.969
flat angles C4'-P-C4' energy: -94.520
flat angles P-C4'-P energy: -56.993
tors. eta vs tors. theta energy: -77.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -805.903478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.903478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.903478 (E_RNA)
where:
Base-Base interactions energy: -419.861
where: short stacking energy: -270.765
Base-Backbone interact. energy: -2.194
local terms energy: -383.848503
where:
bonds (distance) C4'-P energy: -93.994
bonds (distance) P-C4' energy: -85.213
flat angles C4'-P-C4' energy: -90.074
flat angles P-C4'-P energy: -58.288
tors. eta vs tors. theta energy: -56.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -657.859633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.859633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.859633 (E_RNA)
where:
Base-Base interactions energy: -314.672
where: short stacking energy: -180.900
Base-Backbone interact. energy: -1.078
local terms energy: -342.109288
where:
bonds (distance) C4'-P energy: -82.710
bonds (distance) P-C4' energy: -86.674
flat angles C4'-P-C4' energy: -77.639
flat angles P-C4'-P energy: -56.846
tors. eta vs tors. theta energy: -38.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -539.526970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.526970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.526970 (E_RNA)
where:
Base-Base interactions energy: -236.169
where: short stacking energy: -198.478
Base-Backbone interact. energy: -1.644
local terms energy: -301.713703
where:
bonds (distance) C4'-P energy: -77.802
bonds (distance) P-C4' energy: -82.983
flat angles C4'-P-C4' energy: -71.097
flat angles P-C4'-P energy: -38.742
tors. eta vs tors. theta energy: -31.090
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: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -455.461010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.461010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.461010 (E_RNA)
where:
Base-Base interactions energy: -174.972
where: short stacking energy: -138.508
Base-Backbone interact. energy: 5.234
local terms energy: -285.722302
where:
bonds (distance) C4'-P energy: -82.684
bonds (distance) P-C4' energy: -87.228
flat angles C4'-P-C4' energy: -62.822
flat angles P-C4'-P energy: -38.693
tors. eta vs tors. theta energy: -14.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -431.252362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.252362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.252362 (E_RNA)
where:
Base-Base interactions energy: -154.062
where: short stacking energy: -137.660
Base-Backbone interact. energy: 0.327
local terms energy: -277.517817
where:
bonds (distance) C4'-P energy: -72.552
bonds (distance) P-C4' energy: -85.249
flat angles C4'-P-C4' energy: -69.823
flat angles P-C4'-P energy: -49.416
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: 9, replica: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -373.516308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.516308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.516308 (E_RNA)
where:
Base-Base interactions energy: -114.544
where: short stacking energy: -97.482
Base-Backbone interact. energy: -0.138
local terms energy: -258.833626
where:
bonds (distance) C4'-P energy: -72.070
bonds (distance) P-C4' energy: -97.095
flat angles C4'-P-C4' energy: -64.061
flat angles P-C4'-P energy: -38.717
tors. eta vs tors. theta energy: 13.109
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: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -365.504500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.504500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.504500 (E_RNA)
where:
Base-Base interactions energy: -122.099
where: short stacking energy: -107.186
Base-Backbone interact. energy: 0.760
local terms energy: -244.165136
where:
bonds (distance) C4'-P energy: -79.600
bonds (distance) P-C4' energy: -80.002
flat angles C4'-P-C4' energy: -68.493
flat angles P-C4'-P energy: -26.302
tors. eta vs tors. theta energy: 10.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1264.477410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.477410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.477410 (E_RNA)
where:
Base-Base interactions energy: -754.133
where: short stacking energy: -454.598
Base-Backbone interact. energy: -3.172
local terms energy: -507.172787
where:
bonds (distance) C4'-P energy: -91.645
bonds (distance) P-C4' energy: -94.582
flat angles C4'-P-C4' energy: -103.647
flat angles P-C4'-P energy: -75.471
tors. eta vs tors. theta energy: -141.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1165.077196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.077196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.077196 (E_RNA)
where:
Base-Base interactions energy: -692.094
where: short stacking energy: -391.242
Base-Backbone interact. energy: -0.551
local terms energy: -472.431939
where:
bonds (distance) C4'-P energy: -88.444
bonds (distance) P-C4' energy: -106.567
flat angles C4'-P-C4' energy: -106.646
flat angles P-C4'-P energy: -50.019
tors. eta vs tors. theta energy: -120.755
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: 10
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -917.159386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.159386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.159386 (E_RNA)
where:
Base-Base interactions energy: -481.746
where: short stacking energy: -328.218
Base-Backbone interact. energy: -2.183
local terms energy: -433.230806
where:
bonds (distance) C4'-P energy: -99.542
bonds (distance) P-C4' energy: -93.877
flat angles C4'-P-C4' energy: -95.505
flat angles P-C4'-P energy: -56.250
tors. eta vs tors. theta energy: -88.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -819.953365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.953365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.953365 (E_RNA)
where:
Base-Base interactions energy: -452.499
where: short stacking energy: -265.352
Base-Backbone interact. energy: -0.576
local terms energy: -366.877733
where:
bonds (distance) C4'-P energy: -86.356
bonds (distance) P-C4' energy: -82.101
flat angles C4'-P-C4' energy: -85.026
flat angles P-C4'-P energy: -52.637
tors. eta vs tors. theta energy: -60.759
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: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -673.026094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.026094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.026094 (E_RNA)
where:
Base-Base interactions energy: -322.190
where: short stacking energy: -219.641
Base-Backbone interact. energy: -3.374
local terms energy: -347.461961
where:
bonds (distance) C4'-P energy: -83.743
bonds (distance) P-C4' energy: -93.411
flat angles C4'-P-C4' energy: -85.913
flat angles P-C4'-P energy: -51.208
tors. eta vs tors. theta energy: -33.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -530.515354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.515354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.515354 (E_RNA)
where:
Base-Base interactions energy: -225.609
where: short stacking energy: -154.627
Base-Backbone interact. energy: 1.284
local terms energy: -306.190780
where:
bonds (distance) C4'-P energy: -78.745
bonds (distance) P-C4' energy: -88.364
flat angles C4'-P-C4' energy: -82.337
flat angles P-C4'-P energy: -42.416
tors. eta vs tors. theta energy: -14.328
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: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -474.756788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.756788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.756788 (E_RNA)
where:
Base-Base interactions energy: -166.503
where: short stacking energy: -141.921
Base-Backbone interact. energy: -1.881
local terms energy: -306.372877
where:
bonds (distance) C4'-P energy: -77.387
bonds (distance) P-C4' energy: -67.162
flat angles C4'-P-C4' energy: -75.170
flat angles P-C4'-P energy: -61.753
tors. eta vs tors. theta energy: -24.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -381.463068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.463068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.463068 (E_RNA)
where:
Base-Base interactions energy: -144.235
where: short stacking energy: -122.481
Base-Backbone interact. energy: 2.241
local terms energy: -239.468893
where:
bonds (distance) C4'-P energy: -78.154
bonds (distance) P-C4' energy: -74.634
flat angles C4'-P-C4' energy: -59.841
flat angles P-C4'-P energy: -30.990
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: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -371.629148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.629148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.629148 (E_RNA)
where:
Base-Base interactions energy: -125.644
where: short stacking energy: -90.184
Base-Backbone interact. energy: -3.051
local terms energy: -242.934263
where:
bonds (distance) C4'-P energy: -66.097
bonds (distance) P-C4' energy: -73.318
flat angles C4'-P-C4' energy: -70.407
flat angles P-C4'-P energy: -36.422
tors. eta vs tors. theta energy: 3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -342.738357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.738357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.738357 (E_RNA)
where:
Base-Base interactions energy: -114.292
where: short stacking energy: -91.092
Base-Backbone interact. energy: 0.192
local terms energy: -228.638432
where:
bonds (distance) C4'-P energy: -75.488
bonds (distance) P-C4' energy: -82.409
flat angles C4'-P-C4' energy: -44.755
flat angles P-C4'-P energy: -38.549
tors. eta vs tors. theta energy: 12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1281.072816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.072816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.072816 (E_RNA)
where:
Base-Base interactions energy: -774.658
where: short stacking energy: -465.411
Base-Backbone interact. energy: -0.689
local terms energy: -505.726528
where:
bonds (distance) C4'-P energy: -75.840
bonds (distance) P-C4' energy: -96.798
flat angles C4'-P-C4' energy: -109.128
flat angles P-C4'-P energy: -73.769
tors. eta vs tors. theta energy: -150.190
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: 2, replica: 6
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1160.989242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.989242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.989242 (E_RNA)
where:
Base-Base interactions energy: -671.755
where: short stacking energy: -400.416
Base-Backbone interact. energy: -2.486
local terms energy: -486.749089
where:
bonds (distance) C4'-P energy: -98.962
bonds (distance) P-C4' energy: -85.863
flat angles C4'-P-C4' energy: -107.263
flat angles P-C4'-P energy: -70.258
tors. eta vs tors. theta energy: -124.402
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: 10
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -891.988546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.988546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.988546 (E_RNA)
where:
Base-Base interactions energy: -483.149
where: short stacking energy: -311.409
Base-Backbone interact. energy: 0.674
local terms energy: -409.514290
where:
bonds (distance) C4'-P energy: -86.697
bonds (distance) P-C4' energy: -95.032
flat angles C4'-P-C4' energy: -100.044
flat angles P-C4'-P energy: -52.104
tors. eta vs tors. theta energy: -75.638
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: 7
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -821.424110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.424110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.424110 (E_RNA)
where:
Base-Base interactions energy: -448.115
where: short stacking energy: -284.046
Base-Backbone interact. energy: 1.208
local terms energy: -374.516667
where:
bonds (distance) C4'-P energy: -78.745
bonds (distance) P-C4' energy: -96.367
flat angles C4'-P-C4' energy: -77.378
flat angles P-C4'-P energy: -56.608
tors. eta vs tors. theta energy: -65.419
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: 4
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -632.700644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.700644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.700644 (E_RNA)
where:
Base-Base interactions energy: -322.121
where: short stacking energy: -211.315
Base-Backbone interact. energy: -2.371
local terms energy: -308.208815
where:
bonds (distance) C4'-P energy: -64.855
bonds (distance) P-C4' energy: -88.250
flat angles C4'-P-C4' energy: -62.930
flat angles P-C4'-P energy: -62.513
tors. eta vs tors. theta energy: -29.661
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: 6, replica: 1
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -539.441580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.441580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.441580 (E_RNA)
where:
Base-Base interactions energy: -226.738
where: short stacking energy: -169.155
Base-Backbone interact. energy: 1.642
local terms energy: -314.344967
where:
bonds (distance) C4'-P energy: -76.561
bonds (distance) P-C4' energy: -85.211
flat angles C4'-P-C4' energy: -78.186
flat angles P-C4'-P energy: -49.196
tors. eta vs tors. theta energy: -25.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -456.769273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.769273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.769273 (E_RNA)
where:
Base-Base interactions energy: -157.943
where: short stacking energy: -153.154
Base-Backbone interact. energy: -1.007
local terms energy: -297.819849
where:
bonds (distance) C4'-P energy: -83.284
bonds (distance) P-C4' energy: -87.536
flat angles C4'-P-C4' energy: -70.608
flat angles P-C4'-P energy: -48.720
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: 8, replica: 9
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -421.829148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.829148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.829148 (E_RNA)
where:
Base-Base interactions energy: -138.519
where: short stacking energy: -120.378
Base-Backbone interact. energy: 0.239
local terms energy: -283.549633
where:
bonds (distance) C4'-P energy: -82.574
bonds (distance) P-C4' energy: -80.320
flat angles C4'-P-C4' energy: -75.415
flat angles P-C4'-P energy: -51.079
tors. eta vs tors. theta energy: 5.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -371.273494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.273494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.273494 (E_RNA)
where:
Base-Base interactions energy: -121.368
where: short stacking energy: -107.517
Base-Backbone interact. energy: -2.150
local terms energy: -247.755206
where:
bonds (distance) C4'-P energy: -76.348
bonds (distance) P-C4' energy: -80.931
flat angles C4'-P-C4' energy: -54.279
flat angles P-C4'-P energy: -37.445
tors. eta vs tors. theta energy: 1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -344.043056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.043056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.043056 (E_RNA)
where:
Base-Base interactions energy: -127.816
where: short stacking energy: -121.647
Base-Backbone interact. energy: 2.842
local terms energy: -219.068694
where:
bonds (distance) C4'-P energy: -44.910
bonds (distance) P-C4' energy: -87.736
flat angles C4'-P-C4' energy: -46.167
flat angles P-C4'-P energy: -44.255
tors. eta vs tors. theta energy: 3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1294.882655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.882655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.882655 (E_RNA)
where:
Base-Base interactions energy: -785.006
where: short stacking energy: -469.130
Base-Backbone interact. energy: -2.399
local terms energy: -507.477354
where:
bonds (distance) C4'-P energy: -88.192
bonds (distance) P-C4' energy: -93.620
flat angles C4'-P-C4' energy: -102.619
flat angles P-C4'-P energy: -74.294
tors. eta vs tors. theta energy: -148.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1150.109915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.109915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.109915 (E_RNA)
where:
Base-Base interactions energy: -678.821
where: short stacking energy: -403.202
Base-Backbone interact. energy: 1.443
local terms energy: -472.731352
where:
bonds (distance) C4'-P energy: -89.963
bonds (distance) P-C4' energy: -96.709
flat angles C4'-P-C4' energy: -105.880
flat angles P-C4'-P energy: -54.890
tors. eta vs tors. theta energy: -125.289
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: 3, replica: 10
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -901.675322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.675322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.675322 (E_RNA)
where:
Base-Base interactions energy: -486.067
where: short stacking energy: -310.879
Base-Backbone interact. energy: -0.824
local terms energy: -414.784231
where:
bonds (distance) C4'-P energy: -83.612
bonds (distance) P-C4' energy: -91.939
flat angles C4'-P-C4' energy: -108.061
flat angles P-C4'-P energy: -50.277
tors. eta vs tors. theta energy: -80.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -823.473533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.473533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.473533 (E_RNA)
where:
Base-Base interactions energy: -449.800
where: short stacking energy: -282.505
Base-Backbone interact. energy: 1.949
local terms energy: -375.622322
where:
bonds (distance) C4'-P energy: -84.589
bonds (distance) P-C4' energy: -87.447
flat angles C4'-P-C4' energy: -82.005
flat angles P-C4'-P energy: -56.805
tors. eta vs tors. theta energy: -64.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -682.314277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.314277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.314277 (E_RNA)
where:
Base-Base interactions energy: -338.194
where: short stacking energy: -238.186
Base-Backbone interact. energy: -1.152
local terms energy: -342.968701
where:
bonds (distance) C4'-P energy: -78.999
bonds (distance) P-C4' energy: -85.348
flat angles C4'-P-C4' energy: -91.749
flat angles P-C4'-P energy: -58.025
tors. eta vs tors. theta energy: -28.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -569.637121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.637121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.637121 (E_RNA)
where:
Base-Base interactions energy: -262.749
where: short stacking energy: -204.294
Base-Backbone interact. energy: 3.942
local terms energy: -310.830577
where:
bonds (distance) C4'-P energy: -74.665
bonds (distance) P-C4' energy: -91.983
flat angles C4'-P-C4' energy: -76.662
flat angles P-C4'-P energy: -34.072
tors. eta vs tors. theta energy: -33.448
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: 344
Temperature: 1.200000
Total energy: -439.803583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.803583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.803583 (E_RNA)
where:
Base-Base interactions energy: -176.512
where: short stacking energy: -139.135
Base-Backbone interact. energy: 3.705
local terms energy: -266.996361
where:
bonds (distance) C4'-P energy: -77.662
bonds (distance) P-C4' energy: -91.479
flat angles C4'-P-C4' energy: -69.030
flat angles P-C4'-P energy: -36.898
tors. eta vs tors. theta energy: 8.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -407.611139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.611139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.611139 (E_RNA)
where:
Base-Base interactions energy: -149.453
where: short stacking energy: -142.029
Base-Backbone interact. energy: -2.126
local terms energy: -256.032555
where:
bonds (distance) C4'-P energy: -69.751
bonds (distance) P-C4' energy: -76.205
flat angles C4'-P-C4' energy: -66.668
flat angles P-C4'-P energy: -37.476
tors. eta vs tors. theta energy: -5.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -381.655569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.655569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.655569 (E_RNA)
where:
Base-Base interactions energy: -133.152
where: short stacking energy: -97.668
Base-Backbone interact. energy: -1.205
local terms energy: -247.298733
where:
bonds (distance) C4'-P energy: -81.117
bonds (distance) P-C4' energy: -75.603
flat angles C4'-P-C4' energy: -70.699
flat angles P-C4'-P energy: -29.230
tors. eta vs tors. theta energy: 9.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -342.935366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.935366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.935366 (E_RNA)
where:
Base-Base interactions energy: -117.556
where: short stacking energy: -105.507
Base-Backbone interact. energy: 4.104
local terms energy: -229.483907
where:
bonds (distance) C4'-P energy: -65.618
bonds (distance) P-C4' energy: -60.203
flat angles C4'-P-C4' energy: -77.251
flat angles P-C4'-P energy: -51.315
tors. eta vs tors. theta energy: 24.903
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: 1, replica: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1288.542971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.542971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.542971 (E_RNA)
where:
Base-Base interactions energy: -772.070
where: short stacking energy: -456.593
Base-Backbone interact. energy: -2.173
local terms energy: -514.299869
where:
bonds (distance) C4'-P energy: -98.236
bonds (distance) P-C4' energy: -97.168
flat angles C4'-P-C4' energy: -114.936
flat angles P-C4'-P energy: -63.196
tors. eta vs tors. theta energy: -140.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1150.887942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.887942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.887942 (E_RNA)
where:
Base-Base interactions energy: -697.605
where: short stacking energy: -404.540
Base-Backbone interact. energy: -0.518
local terms energy: -452.764871
where:
bonds (distance) C4'-P energy: -85.269
bonds (distance) P-C4' energy: -90.344
flat angles C4'-P-C4' energy: -92.243
flat angles P-C4'-P energy: -70.718
tors. eta vs tors. theta energy: -114.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -915.357309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.357309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.357309 (E_RNA)
where:
Base-Base interactions energy: -513.338
where: short stacking energy: -312.680
Base-Backbone interact. energy: -0.975
local terms energy: -401.044379
where:
bonds (distance) C4'-P energy: -89.117
bonds (distance) P-C4' energy: -87.151
flat angles C4'-P-C4' energy: -87.578
flat angles P-C4'-P energy: -53.775
tors. eta vs tors. theta energy: -83.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -805.223530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.223530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.223530 (E_RNA)
where:
Base-Base interactions energy: -414.823
where: short stacking energy: -244.999
Base-Backbone interact. energy: -2.139
local terms energy: -388.261938
where:
bonds (distance) C4'-P energy: -96.094
bonds (distance) P-C4' energy: -88.709
flat angles C4'-P-C4' energy: -91.534
flat angles P-C4'-P energy: -54.593
tors. eta vs tors. theta energy: -57.332
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: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -647.644006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.644006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.644006 (E_RNA)
where:
Base-Base interactions energy: -321.991
where: short stacking energy: -214.071
Base-Backbone interact. energy: -0.796
local terms energy: -324.857331
where:
bonds (distance) C4'-P energy: -78.274
bonds (distance) P-C4' energy: -80.896
flat angles C4'-P-C4' energy: -79.437
flat angles P-C4'-P energy: -42.791
tors. eta vs tors. theta energy: -43.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -470.762139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.762139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.762139 (E_RNA)
where:
Base-Base interactions energy: -190.534
where: short stacking energy: -154.622
Base-Backbone interact. energy: 0.000
local terms energy: -280.227722
where:
bonds (distance) C4'-P energy: -83.469
bonds (distance) P-C4' energy: -78.256
flat angles C4'-P-C4' energy: -70.426
flat angles P-C4'-P energy: -37.744
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -472.227021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.227021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.227021 (E_RNA)
where:
Base-Base interactions energy: -179.902
where: short stacking energy: -142.134
Base-Backbone interact. energy: -0.742
local terms energy: -291.583741
where:
bonds (distance) C4'-P energy: -80.309
bonds (distance) P-C4' energy: -78.453
flat angles C4'-P-C4' energy: -57.134
flat angles P-C4'-P energy: -56.346
tors. eta vs tors. theta energy: -19.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -416.101279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.101279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.101279 (E_RNA)
where:
Base-Base interactions energy: -155.883
where: short stacking energy: -122.291
Base-Backbone interact. energy: -0.712
local terms energy: -259.506490
where:
bonds (distance) C4'-P energy: -71.385
bonds (distance) P-C4' energy: -77.339
flat angles C4'-P-C4' energy: -67.019
flat angles P-C4'-P energy: -39.325
tors. eta vs tors. theta energy: -4.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -373.040604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.040604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.040604 (E_RNA)
where:
Base-Base interactions energy: -121.158
where: short stacking energy: -102.770
Base-Backbone interact. energy: 0.662
local terms energy: -252.544379
where:
bonds (distance) C4'-P energy: -86.210
bonds (distance) P-C4' energy: -83.407
flat angles C4'-P-C4' energy: -54.495
flat angles P-C4'-P energy: -38.195
tors. eta vs tors. theta energy: 9.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -387.902281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.902281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.902281 (E_RNA)
where:
Base-Base interactions energy: -152.174
where: short stacking energy: -108.200
Base-Backbone interact. energy: 0.656
local terms energy: -236.383411
where:
bonds (distance) C4'-P energy: -65.639
bonds (distance) P-C4' energy: -78.655
flat angles C4'-P-C4' energy: -57.854
flat angles P-C4'-P energy: -41.295
tors. eta vs tors. theta energy: 7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1314.931173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.931173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.931173 (E_RNA)
where:
Base-Base interactions energy: -806.416
where: short stacking energy: -478.050
Base-Backbone interact. energy: -1.223
local terms energy: -507.293030
where:
bonds (distance) C4'-P energy: -95.205
bonds (distance) P-C4' energy: -101.290
flat angles C4'-P-C4' energy: -102.143
flat angles P-C4'-P energy: -72.955
tors. eta vs tors. theta energy: -135.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1121.428893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.428893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.428893 (E_RNA)
where:
Base-Base interactions energy: -668.753
where: short stacking energy: -397.498
Base-Backbone interact. energy: -1.350
local terms energy: -451.325874
where:
bonds (distance) C4'-P energy: -86.210
bonds (distance) P-C4' energy: -92.845
flat angles C4'-P-C4' energy: -99.777
flat angles P-C4'-P energy: -63.183
tors. eta vs tors. theta energy: -109.311
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: 10
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -925.055144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.055144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.055144 (E_RNA)
where:
Base-Base interactions energy: -528.941
where: short stacking energy: -314.589
Base-Backbone interact. energy: -1.486
local terms energy: -394.628927
where:
bonds (distance) C4'-P energy: -101.172
bonds (distance) P-C4' energy: -85.773
flat angles C4'-P-C4' energy: -73.446
flat angles P-C4'-P energy: -51.889
tors. eta vs tors. theta energy: -82.349
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: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -740.729952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.729952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.729952 (E_RNA)
where:
Base-Base interactions energy: -395.403
where: short stacking energy: -255.765
Base-Backbone interact. energy: -1.275
local terms energy: -344.051860
where:
bonds (distance) C4'-P energy: -84.270
bonds (distance) P-C4' energy: -62.819
flat angles C4'-P-C4' energy: -88.172
flat angles P-C4'-P energy: -54.702
tors. eta vs tors. theta energy: -54.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -685.359136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.359136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.359136 (E_RNA)
where:
Base-Base interactions energy: -329.299
where: short stacking energy: -208.155
Base-Backbone interact. energy: -0.879
local terms energy: -355.181314
where:
bonds (distance) C4'-P energy: -82.885
bonds (distance) P-C4' energy: -90.168
flat angles C4'-P-C4' energy: -84.937
flat angles P-C4'-P energy: -52.179
tors. eta vs tors. theta energy: -45.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -469.093793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.093793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.093793 (E_RNA)
where:
Base-Base interactions energy: -167.030
where: short stacking energy: -124.710
Base-Backbone interact. energy: 7.215
local terms energy: -309.279516
where:
bonds (distance) C4'-P energy: -76.847
bonds (distance) P-C4' energy: -90.418
flat angles C4'-P-C4' energy: -92.443
flat angles P-C4'-P energy: -45.827
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: 7, replica: 8
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -448.395764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.395764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.395764 (E_RNA)
where:
Base-Base interactions energy: -161.824
where: short stacking energy: -136.257
Base-Backbone interact. energy: 2.855
local terms energy: -289.426481
where:
bonds (distance) C4'-P energy: -67.916
bonds (distance) P-C4' energy: -93.865
flat angles C4'-P-C4' energy: -77.903
flat angles P-C4'-P energy: -47.280
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: 9
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -408.906224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.906224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.906224 (E_RNA)
where:
Base-Base interactions energy: -141.440
where: short stacking energy: -117.325
Base-Backbone interact. energy: -0.831
local terms energy: -266.635323
where:
bonds (distance) C4'-P energy: -91.931
bonds (distance) P-C4' energy: -87.191
flat angles C4'-P-C4' energy: -75.364
flat angles P-C4'-P energy: -25.616
tors. eta vs tors. theta energy: 13.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -375.742707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.742707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.742707 (E_RNA)
where:
Base-Base interactions energy: -137.431
where: short stacking energy: -114.746
Base-Backbone interact. energy: 2.169
local terms energy: -240.480054
where:
bonds (distance) C4'-P energy: -75.991
bonds (distance) P-C4' energy: -90.640
flat angles C4'-P-C4' energy: -49.492
flat angles P-C4'-P energy: -39.014
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: 10, replica: 5
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -346.080824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.080824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.080824 (E_RNA)
where:
Base-Base interactions energy: -113.776
where: short stacking energy: -106.826
Base-Backbone interact. energy: 2.093
local terms energy: -234.397892
where:
bonds (distance) C4'-P energy: -76.518
bonds (distance) P-C4' energy: -61.211
flat angles C4'-P-C4' energy: -65.145
flat angles P-C4'-P energy: -39.574
tors. eta vs tors. theta energy: 8.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1276.483114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.483114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.483114 (E_RNA)
where:
Base-Base interactions energy: -767.670
where: short stacking energy: -452.852
Base-Backbone interact. energy: -0.676
local terms energy: -508.137111
where:
bonds (distance) C4'-P energy: -90.807
bonds (distance) P-C4' energy: -90.606
flat angles C4'-P-C4' energy: -109.302
flat angles P-C4'-P energy: -76.491
tors. eta vs tors. theta energy: -140.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1120.491819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.491819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.491819 (E_RNA)
where:
Base-Base interactions energy: -660.237
where: short stacking energy: -389.964
Base-Backbone interact. energy: -0.794
local terms energy: -459.460970
where:
bonds (distance) C4'-P energy: -93.474
bonds (distance) P-C4' energy: -98.701
flat angles C4'-P-C4' energy: -89.902
flat angles P-C4'-P energy: -65.536
tors. eta vs tors. theta energy: -111.847
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: 10
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -880.112619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.112619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.112619 (E_RNA)
where:
Base-Base interactions energy: -475.767
where: short stacking energy: -282.130
Base-Backbone interact. energy: 0.407
local terms energy: -404.753227
where:
bonds (distance) C4'-P energy: -91.851
bonds (distance) P-C4' energy: -94.307
flat angles C4'-P-C4' energy: -91.849
flat angles P-C4'-P energy: -54.042
tors. eta vs tors. theta energy: -72.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -796.015068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.015068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.015068 (E_RNA)
where:
Base-Base interactions energy: -429.638
where: short stacking energy: -260.211
Base-Backbone interact. energy: -0.330
local terms energy: -366.047018
where:
bonds (distance) C4'-P energy: -76.398
bonds (distance) P-C4' energy: -87.730
flat angles C4'-P-C4' energy: -83.590
flat angles P-C4'-P energy: -52.726
tors. eta vs tors. theta energy: -65.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -641.094170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.094170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.094170 (E_RNA)
where:
Base-Base interactions energy: -295.453
where: short stacking energy: -215.475
Base-Backbone interact. energy: -0.819
local terms energy: -344.821921
where:
bonds (distance) C4'-P energy: -90.634
bonds (distance) P-C4' energy: -92.456
flat angles C4'-P-C4' energy: -84.478
flat angles P-C4'-P energy: -54.488
tors. eta vs tors. theta energy: -22.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -527.162462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.162462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.162462 (E_RNA)
where:
Base-Base interactions energy: -240.165
where: short stacking energy: -218.820
Base-Backbone interact. energy: -0.136
local terms energy: -286.861296
where:
bonds (distance) C4'-P energy: -57.375
bonds (distance) P-C4' energy: -82.977
flat angles C4'-P-C4' energy: -78.664
flat angles P-C4'-P energy: -35.102
tors. eta vs tors. theta energy: -32.744
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: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -416.133707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.133707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.133707 (E_RNA)
where:
Base-Base interactions energy: -130.152
where: short stacking energy: -116.306
Base-Backbone interact. energy: 1.287
local terms energy: -287.268415
where:
bonds (distance) C4'-P energy: -88.762
bonds (distance) P-C4' energy: -87.508
flat angles C4'-P-C4' energy: -61.773
flat angles P-C4'-P energy: -43.851
tors. eta vs tors. theta energy: -5.374
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: 347
Temperature: 1.250000
Total energy: -397.283918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.283918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.283918 (E_RNA)
where:
Base-Base interactions energy: -133.855
where: short stacking energy: -133.528
Base-Backbone interact. energy: 0.706
local terms energy: -264.134477
where:
bonds (distance) C4'-P energy: -82.835
bonds (distance) P-C4' energy: -77.536
flat angles C4'-P-C4' energy: -64.715
flat angles P-C4'-P energy: -45.838
tors. eta vs tors. theta energy: 6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -394.739870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.739870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.739870 (E_RNA)
where:
Base-Base interactions energy: -129.096
where: short stacking energy: -122.323
Base-Backbone interact. energy: 1.149
local terms energy: -266.793160
where:
bonds (distance) C4'-P energy: -85.682
bonds (distance) P-C4' energy: -79.650
flat angles C4'-P-C4' energy: -59.854
flat angles P-C4'-P energy: -45.677
tors. eta vs tors. theta energy: 4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -343.863553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.863553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.863553 (E_RNA)
where:
Base-Base interactions energy: -132.371
where: short stacking energy: -106.671
Base-Backbone interact. energy: -1.938
local terms energy: -209.554090
where:
bonds (distance) C4'-P energy: -50.685
bonds (distance) P-C4' energy: -69.381
flat angles C4'-P-C4' energy: -71.159
flat angles P-C4'-P energy: -25.602
tors. eta vs tors. theta energy: 7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1252.199131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.199131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.199131 (E_RNA)
where:
Base-Base interactions energy: -766.384
where: short stacking energy: -447.865
Base-Backbone interact. energy: -1.008
local terms energy: -484.806942
where:
bonds (distance) C4'-P energy: -96.650
bonds (distance) P-C4' energy: -90.186
flat angles C4'-P-C4' energy: -105.681
flat angles P-C4'-P energy: -61.219
tors. eta vs tors. theta energy: -131.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1144.333704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.333704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.333704 (E_RNA)
where:
Base-Base interactions energy: -681.989
where: short stacking energy: -400.606
Base-Backbone interact. energy: 0.746
local terms energy: -463.091020
where:
bonds (distance) C4'-P energy: -100.876
bonds (distance) P-C4' energy: -80.480
flat angles C4'-P-C4' energy: -106.015
flat angles P-C4'-P energy: -66.717
tors. eta vs tors. theta energy: -109.003
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: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -843.470669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.470669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.470669 (E_RNA)
where:
Base-Base interactions energy: -454.158
where: short stacking energy: -300.669
Base-Backbone interact. energy: -0.712
local terms energy: -388.600421
where:
bonds (distance) C4'-P energy: -84.395
bonds (distance) P-C4' energy: -93.984
flat angles C4'-P-C4' energy: -91.294
flat angles P-C4'-P energy: -58.784
tors. eta vs tors. theta energy: -60.143
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: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -766.146609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.146609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.146609 (E_RNA)
where:
Base-Base interactions energy: -400.080
where: short stacking energy: -256.192
Base-Backbone interact. energy: -1.526
local terms energy: -364.540999
where:
bonds (distance) C4'-P energy: -81.869
bonds (distance) P-C4' energy: -95.486
flat angles C4'-P-C4' energy: -79.714
flat angles P-C4'-P energy: -57.389
tors. eta vs tors. theta energy: -50.083
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: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -641.134168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.134168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.134168 (E_RNA)
where:
Base-Base interactions energy: -293.203
where: short stacking energy: -186.739
Base-Backbone interact. energy: 0.753
local terms energy: -348.684768
where:
bonds (distance) C4'-P energy: -79.364
bonds (distance) P-C4' energy: -96.049
flat angles C4'-P-C4' energy: -77.388
flat angles P-C4'-P energy: -58.869
tors. eta vs tors. theta energy: -37.015
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: 6, replica: 1
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -479.046729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.046729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.046729 (E_RNA)
where:
Base-Base interactions energy: -158.450
where: short stacking energy: -153.873
Base-Backbone interact. energy: -2.777
local terms energy: -317.819497
where:
bonds (distance) C4'-P energy: -92.416
bonds (distance) P-C4' energy: -76.740
flat angles C4'-P-C4' energy: -84.513
flat angles P-C4'-P energy: -55.985
tors. eta vs tors. theta energy: -8.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -444.102335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.102335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.102335 (E_RNA)
where:
Base-Base interactions energy: -164.381
where: short stacking energy: -148.249
Base-Backbone interact. energy: 1.598
local terms energy: -281.319409
where:
bonds (distance) C4'-P energy: -70.582
bonds (distance) P-C4' energy: -81.968
flat angles C4'-P-C4' energy: -71.994
flat angles P-C4'-P energy: -43.051
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: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -414.074035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.074035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.074035 (E_RNA)
where:
Base-Base interactions energy: -158.561
where: short stacking energy: -136.582
Base-Backbone interact. energy: 2.724
local terms energy: -258.236211
where:
bonds (distance) C4'-P energy: -81.173
bonds (distance) P-C4' energy: -76.278
flat angles C4'-P-C4' energy: -69.637
flat angles P-C4'-P energy: -35.486
tors. eta vs tors. theta energy: 4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -382.428826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.428826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.428826 (E_RNA)
where:
Base-Base interactions energy: -139.447
where: short stacking energy: -127.305
Base-Backbone interact. energy: -1.472
local terms energy: -241.509612
where:
bonds (distance) C4'-P energy: -77.405
bonds (distance) P-C4' energy: -81.206
flat angles C4'-P-C4' energy: -60.101
flat angles P-C4'-P energy: -30.146
tors. eta vs tors. theta energy: 7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -362.227921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.227921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.227921 (E_RNA)
where:
Base-Base interactions energy: -119.293
where: short stacking energy: -115.174
Base-Backbone interact. energy: -0.829
local terms energy: -242.105194
where:
bonds (distance) C4'-P energy: -72.612
bonds (distance) P-C4' energy: -74.170
flat angles C4'-P-C4' energy: -68.103
flat angles P-C4'-P energy: -38.291
tors. eta vs tors. theta energy: 11.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1239.749068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.749068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.749068 (E_RNA)
where:
Base-Base interactions energy: -745.294
where: short stacking energy: -443.615
Base-Backbone interact. energy: -0.352
local terms energy: -494.102481
where:
bonds (distance) C4'-P energy: -94.050
bonds (distance) P-C4' energy: -85.203
flat angles C4'-P-C4' energy: -106.497
flat angles P-C4'-P energy: -65.305
tors. eta vs tors. theta energy: -143.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1149.704765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.704765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.704765 (E_RNA)
where:
Base-Base interactions energy: -687.333
where: short stacking energy: -403.013
Base-Backbone interact. energy: -0.242
local terms energy: -462.129627
where:
bonds (distance) C4'-P energy: -89.272
bonds (distance) P-C4' energy: -88.704
flat angles C4'-P-C4' energy: -94.164
flat angles P-C4'-P energy: -63.663
tors. eta vs tors. theta energy: -126.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -856.902817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.902817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.902817 (E_RNA)
where:
Base-Base interactions energy: -448.919
where: short stacking energy: -308.516
Base-Backbone interact. energy: 0.143
local terms energy: -408.126727
where:
bonds (distance) C4'-P energy: -88.960
bonds (distance) P-C4' energy: -91.586
flat angles C4'-P-C4' energy: -97.250
flat angles P-C4'-P energy: -53.429
tors. eta vs tors. theta energy: -76.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -778.668867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.668867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.668867 (E_RNA)
where:
Base-Base interactions energy: -415.651
where: short stacking energy: -256.952
Base-Backbone interact. energy: 1.678
local terms energy: -364.695378
where:
bonds (distance) C4'-P energy: -89.620
bonds (distance) P-C4' energy: -79.109
flat angles C4'-P-C4' energy: -88.951
flat angles P-C4'-P energy: -52.130
tors. eta vs tors. theta energy: -54.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -617.821565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.821565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.821565 (E_RNA)
where:
Base-Base interactions energy: -307.850
where: short stacking energy: -199.203
Base-Backbone interact. energy: -2.479
local terms energy: -307.492963
where:
bonds (distance) C4'-P energy: -84.273
bonds (distance) P-C4' energy: -78.231
flat angles C4'-P-C4' energy: -80.770
flat angles P-C4'-P energy: -41.173
tors. eta vs tors. theta energy: -23.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -499.945229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.945229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.945229 (E_RNA)
where:
Base-Base interactions energy: -202.894
where: short stacking energy: -178.783
Base-Backbone interact. energy: -0.451
local terms energy: -296.600099
where:
bonds (distance) C4'-P energy: -84.262
bonds (distance) P-C4' energy: -81.907
flat angles C4'-P-C4' energy: -74.759
flat angles P-C4'-P energy: -39.550
tors. eta vs tors. theta energy: -16.123
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: 349
Temperature: 1.200000
Total energy: -444.200085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.200085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.200085 (E_RNA)
where:
Base-Base interactions energy: -154.768
where: short stacking energy: -132.538
Base-Backbone interact. energy: -0.678
local terms energy: -288.754481
where:
bonds (distance) C4'-P energy: -75.218
bonds (distance) P-C4' energy: -83.612
flat angles C4'-P-C4' energy: -77.469
flat angles P-C4'-P energy: -51.678
tors. eta vs tors. theta energy: -0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -413.439695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.439695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.439695 (E_RNA)
where:
Base-Base interactions energy: -136.445
where: short stacking energy: -116.864
Base-Backbone interact. energy: 2.551
local terms energy: -279.545780
where:
bonds (distance) C4'-P energy: -84.513
bonds (distance) P-C4' energy: -87.991
flat angles C4'-P-C4' energy: -64.757
flat angles P-C4'-P energy: -48.750
tors. eta vs tors. theta energy: 6.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -404.160164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.160164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.160164 (E_RNA)
where:
Base-Base interactions energy: -156.054
where: short stacking energy: -139.953
Base-Backbone interact. energy: -0.202
local terms energy: -247.904190
where:
bonds (distance) C4'-P energy: -70.274
bonds (distance) P-C4' energy: -77.026
flat angles C4'-P-C4' energy: -70.978
flat angles P-C4'-P energy: -33.746
tors. eta vs tors. theta energy: 4.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -372.599480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.599480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.599480 (E_RNA)
where:
Base-Base interactions energy: -97.561
where: short stacking energy: -89.021
Base-Backbone interact. energy: 7.763
local terms energy: -282.801975
where:
bonds (distance) C4'-P energy: -64.315
bonds (distance) P-C4' energy: -94.377
flat angles C4'-P-C4' energy: -75.862
flat angles P-C4'-P energy: -51.464
tors. eta vs tors. theta energy: 3.216
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: 350
Temperature: 0.900000
Total energy: -1266.851914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.851914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.851914 (E_RNA)
where:
Base-Base interactions energy: -764.855
where: short stacking energy: -442.356
Base-Backbone interact. energy: 1.492
local terms energy: -503.488596
where:
bonds (distance) C4'-P energy: -99.542
bonds (distance) P-C4' energy: -96.815
flat angles C4'-P-C4' energy: -102.776
flat angles P-C4'-P energy: -64.600
tors. eta vs tors. theta energy: -139.755
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: 6
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1180.306976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.306976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.306976 (E_RNA)
where:
Base-Base interactions energy: -687.740
where: short stacking energy: -414.288
Base-Backbone interact. energy: -0.644
local terms energy: -491.922332
where:
bonds (distance) C4'-P energy: -99.598
bonds (distance) P-C4' energy: -100.350
flat angles C4'-P-C4' energy: -100.413
flat angles P-C4'-P energy: -66.734
tors. eta vs tors. theta energy: -124.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -870.060099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.060099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.060099 (E_RNA)
where:
Base-Base interactions energy: -457.305
where: short stacking energy: -314.484
Base-Backbone interact. energy: -1.647
local terms energy: -411.108407
where:
bonds (distance) C4'-P energy: -88.670
bonds (distance) P-C4' energy: -89.433
flat angles C4'-P-C4' energy: -90.454
flat angles P-C4'-P energy: -67.226
tors. eta vs tors. theta energy: -75.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -823.503379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.503379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.503379 (E_RNA)
where:
Base-Base interactions energy: -441.511
where: short stacking energy: -244.178
Base-Backbone interact. energy: 1.338
local terms energy: -383.329958
where:
bonds (distance) C4'-P energy: -92.549
bonds (distance) P-C4' energy: -89.679
flat angles C4'-P-C4' energy: -92.883
flat angles P-C4'-P energy: -56.337
tors. eta vs tors. theta energy: -51.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -661.702971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.702971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.702971 (E_RNA)
where:
Base-Base interactions energy: -315.165
where: short stacking energy: -215.771
Base-Backbone interact. energy: -0.995
local terms energy: -345.543086
where:
bonds (distance) C4'-P energy: -75.761
bonds (distance) P-C4' energy: -89.526
flat angles C4'-P-C4' energy: -91.113
flat angles P-C4'-P energy: -51.102
tors. eta vs tors. theta energy: -38.042
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: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -491.658641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.658641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.658641 (E_RNA)
where:
Base-Base interactions energy: -203.622
where: short stacking energy: -159.462
Base-Backbone interact. energy: -0.053
local terms energy: -287.983526
where:
bonds (distance) C4'-P energy: -83.146
bonds (distance) P-C4' energy: -82.926
flat angles C4'-P-C4' energy: -73.954
flat angles P-C4'-P energy: -39.713
tors. eta vs tors. theta energy: -8.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -476.938485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.938485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.938485 (E_RNA)
where:
Base-Base interactions energy: -187.043
where: short stacking energy: -141.569
Base-Backbone interact. energy: -2.297
local terms energy: -287.598637
where:
bonds (distance) C4'-P energy: -84.681
bonds (distance) P-C4' energy: -76.206
flat angles C4'-P-C4' energy: -74.574
flat angles P-C4'-P energy: -44.760
tors. eta vs tors. theta energy: -7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -405.778525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.778525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.778525 (E_RNA)
where:
Base-Base interactions energy: -136.136
where: short stacking energy: -123.909
Base-Backbone interact. energy: -1.539
local terms energy: -268.103382
where:
bonds (distance) C4'-P energy: -85.656
bonds (distance) P-C4' energy: -86.992
flat angles C4'-P-C4' energy: -78.561
flat angles P-C4'-P energy: -29.435
tors. eta vs tors. theta energy: 12.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -384.454782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.454782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.454782 (E_RNA)
where:
Base-Base interactions energy: -109.056
where: short stacking energy: -93.699
Base-Backbone interact. energy: 5.202
local terms energy: -280.600928
where:
bonds (distance) C4'-P energy: -92.383
bonds (distance) P-C4' energy: -84.450
flat angles C4'-P-C4' energy: -72.955
flat angles P-C4'-P energy: -47.635
tors. eta vs tors. theta energy: 16.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -355.197469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.197469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.197469 (E_RNA)
where:
Base-Base interactions energy: -118.671
where: short stacking energy: -96.270
Base-Backbone interact. energy: -2.250
local terms energy: -234.276590
where:
bonds (distance) C4'-P energy: -80.171
bonds (distance) P-C4' energy: -85.416
flat angles C4'-P-C4' energy: -71.135
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: 15.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1253.664622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.664622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.664622 (E_RNA)
where:
Base-Base interactions energy: -766.912
where: short stacking energy: -436.579
Base-Backbone interact. energy: -0.595
local terms energy: -486.158292
where:
bonds (distance) C4'-P energy: -86.887
bonds (distance) P-C4' energy: -89.102
flat angles C4'-P-C4' energy: -105.039
flat angles P-C4'-P energy: -64.440
tors. eta vs tors. theta energy: -140.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1141.651366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.651366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.651366 (E_RNA)
where:
Base-Base interactions energy: -697.074
where: short stacking energy: -409.595
Base-Backbone interact. energy: 1.417
local terms energy: -445.994471
where:
bonds (distance) C4'-P energy: -77.622
bonds (distance) P-C4' energy: -95.589
flat angles C4'-P-C4' energy: -87.665
flat angles P-C4'-P energy: -61.704
tors. eta vs tors. theta energy: -123.415
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: 10
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -866.137014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.137014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.137014 (E_RNA)
where:
Base-Base interactions energy: -456.391
where: short stacking energy: -309.746
Base-Backbone interact. energy: -1.915
local terms energy: -407.830829
where:
bonds (distance) C4'-P energy: -92.169
bonds (distance) P-C4' energy: -87.234
flat angles C4'-P-C4' energy: -101.293
flat angles P-C4'-P energy: -47.553
tors. eta vs tors. theta energy: -79.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -693.099563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.099563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.099563 (E_RNA)
where:
Base-Base interactions energy: -345.592
where: short stacking energy: -228.958
Base-Backbone interact. energy: -0.338
local terms energy: -347.169619
where:
bonds (distance) C4'-P energy: -82.626
bonds (distance) P-C4' energy: -94.304
flat angles C4'-P-C4' energy: -66.427
flat angles P-C4'-P energy: -72.491
tors. eta vs tors. theta energy: -31.321
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: 5, replica: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -650.471801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.471801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.471801 (E_RNA)
where:
Base-Base interactions energy: -315.167
where: short stacking energy: -196.232
Base-Backbone interact. energy: 0.669
local terms energy: -335.973686
where:
bonds (distance) C4'-P energy: -84.861
bonds (distance) P-C4' energy: -90.465
flat angles C4'-P-C4' energy: -78.806
flat angles P-C4'-P energy: -50.512
tors. eta vs tors. theta energy: -31.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -488.317167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.317167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.317167 (E_RNA)
where:
Base-Base interactions energy: -188.468
where: short stacking energy: -154.174
Base-Backbone interact. energy: -0.971
local terms energy: -298.877866
where:
bonds (distance) C4'-P energy: -75.161
bonds (distance) P-C4' energy: -90.489
flat angles C4'-P-C4' energy: -72.530
flat angles P-C4'-P energy: -57.077
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -434.720287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.720287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.720287 (E_RNA)
where:
Base-Base interactions energy: -150.836
where: short stacking energy: -123.907
Base-Backbone interact. energy: 4.147
local terms energy: -288.031007
where:
bonds (distance) C4'-P energy: -81.686
bonds (distance) P-C4' energy: -88.510
flat angles C4'-P-C4' energy: -81.576
flat angles P-C4'-P energy: -33.770
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: 8, replica: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -419.063034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.063034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.063034 (E_RNA)
where:
Base-Base interactions energy: -142.024
where: short stacking energy: -126.488
Base-Backbone interact. energy: -1.035
local terms energy: -276.004561
where:
bonds (distance) C4'-P energy: -75.490
bonds (distance) P-C4' energy: -81.767
flat angles C4'-P-C4' energy: -71.986
flat angles P-C4'-P energy: -35.611
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -378.598457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.598457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.598457 (E_RNA)
where:
Base-Base interactions energy: -137.956
where: short stacking energy: -111.627
Base-Backbone interact. energy: -0.986
local terms energy: -239.656080
where:
bonds (distance) C4'-P energy: -74.754
bonds (distance) P-C4' energy: -79.220
flat angles C4'-P-C4' energy: -58.409
flat angles P-C4'-P energy: -39.188
tors. eta vs tors. theta energy: 11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -370.184617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.184617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.184617 (E_RNA)
where:
Base-Base interactions energy: -115.968
where: short stacking energy: -105.813
Base-Backbone interact. energy: -1.107
local terms energy: -253.109669
where:
bonds (distance) C4'-P energy: -67.170
bonds (distance) P-C4' energy: -84.736
flat angles C4'-P-C4' energy: -59.693
flat angles P-C4'-P energy: -47.111
tors. eta vs tors. theta energy: 5.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1259.362338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.362338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.362338 (E_RNA)
where:
Base-Base interactions energy: -753.014
where: short stacking energy: -452.117
Base-Backbone interact. energy: -0.987
local terms energy: -505.361031
where:
bonds (distance) C4'-P energy: -76.591
bonds (distance) P-C4' energy: -94.738
flat angles C4'-P-C4' energy: -110.634
flat angles P-C4'-P energy: -82.850
tors. eta vs tors. theta energy: -140.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1137.411876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.411876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.411876 (E_RNA)
where:
Base-Base interactions energy: -659.702
where: short stacking energy: -387.626
Base-Backbone interact. energy: -0.459
local terms energy: -477.250214
where:
bonds (distance) C4'-P energy: -94.956
bonds (distance) P-C4' energy: -93.632
flat angles C4'-P-C4' energy: -97.209
flat angles P-C4'-P energy: -72.401
tors. eta vs tors. theta energy: -119.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -878.141095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.141095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.141095 (E_RNA)
where:
Base-Base interactions energy: -475.737
where: short stacking energy: -304.440
Base-Backbone interact. energy: -0.623
local terms energy: -401.781008
where:
bonds (distance) C4'-P energy: -90.281
bonds (distance) P-C4' energy: -95.852
flat angles C4'-P-C4' energy: -84.804
flat angles P-C4'-P energy: -61.147
tors. eta vs tors. theta energy: -69.696
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: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -773.171634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.171634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.171634 (E_RNA)
where:
Base-Base interactions energy: -402.058
where: short stacking energy: -252.461
Base-Backbone interact. energy: -0.899
local terms energy: -370.214179
where:
bonds (distance) C4'-P energy: -81.618
bonds (distance) P-C4' energy: -91.122
flat angles C4'-P-C4' energy: -90.564
flat angles P-C4'-P energy: -54.023
tors. eta vs tors. theta energy: -52.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -682.773649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.773649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.773649 (E_RNA)
where:
Base-Base interactions energy: -333.855
where: short stacking energy: -215.648
Base-Backbone interact. energy: 1.684
local terms energy: -350.602986
where:
bonds (distance) C4'-P energy: -70.637
bonds (distance) P-C4' energy: -86.998
flat angles C4'-P-C4' energy: -83.794
flat angles P-C4'-P energy: -60.964
tors. eta vs tors. theta energy: -48.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -526.690074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.690074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.690074 (E_RNA)
where:
Base-Base interactions energy: -232.134
where: short stacking energy: -167.992
Base-Backbone interact. energy: -1.632
local terms energy: -292.923634
where:
bonds (distance) C4'-P energy: -70.389
bonds (distance) P-C4' energy: -89.673
flat angles C4'-P-C4' energy: -84.877
flat angles P-C4'-P energy: -33.121
tors. eta vs tors. theta energy: -14.864
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: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -425.074996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.074996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.074996 (E_RNA)
where:
Base-Base interactions energy: -145.513
where: short stacking energy: -128.665
Base-Backbone interact. energy: 4.083
local terms energy: -283.645408
where:
bonds (distance) C4'-P energy: -79.612
bonds (distance) P-C4' energy: -88.217
flat angles C4'-P-C4' energy: -71.767
flat angles P-C4'-P energy: -50.519
tors. eta vs tors. theta energy: 6.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -447.380022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.380022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.380022 (E_RNA)
where:
Base-Base interactions energy: -171.428
where: short stacking energy: -135.520
Base-Backbone interact. energy: -1.295
local terms energy: -274.657227
where:
bonds (distance) C4'-P energy: -74.278
bonds (distance) P-C4' energy: -86.041
flat angles C4'-P-C4' energy: -66.655
flat angles P-C4'-P energy: -43.097
tors. eta vs tors. theta energy: -4.587
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: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -393.524478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.524478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.524478 (E_RNA)
where:
Base-Base interactions energy: -127.389
where: short stacking energy: -108.268
Base-Backbone interact. energy: -1.609
local terms energy: -264.526755
where:
bonds (distance) C4'-P energy: -60.654
bonds (distance) P-C4' energy: -89.782
flat angles C4'-P-C4' energy: -82.405
flat angles P-C4'-P energy: -38.491
tors. eta vs tors. theta energy: 6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -364.242131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.242131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.242131 (E_RNA)
where:
Base-Base interactions energy: -112.537
where: short stacking energy: -98.691
Base-Backbone interact. energy: 0.154
local terms energy: -251.859832
where:
bonds (distance) C4'-P energy: -67.711
bonds (distance) P-C4' energy: -82.512
flat angles C4'-P-C4' energy: -65.686
flat angles P-C4'-P energy: -42.317
tors. eta vs tors. theta energy: 6.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1245.811027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.811027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.811027 (E_RNA)
where:
Base-Base interactions energy: -747.963
where: short stacking energy: -445.549
Base-Backbone interact. energy: 1.151
local terms energy: -498.998744
where:
bonds (distance) C4'-P energy: -86.694
bonds (distance) P-C4' energy: -97.407
flat angles C4'-P-C4' energy: -99.520
flat angles P-C4'-P energy: -71.311
tors. eta vs tors. theta energy: -144.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1123.308320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.308320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.308320 (E_RNA)
where:
Base-Base interactions energy: -659.500
where: short stacking energy: -372.739
Base-Backbone interact. energy: -0.885
local terms energy: -462.922783
where:
bonds (distance) C4'-P energy: -88.401
bonds (distance) P-C4' energy: -95.241
flat angles C4'-P-C4' energy: -102.515
flat angles P-C4'-P energy: -61.022
tors. eta vs tors. theta energy: -115.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -869.441245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.441245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.441245 (E_RNA)
where:
Base-Base interactions energy: -474.531
where: short stacking energy: -309.810
Base-Backbone interact. energy: 6.251
local terms energy: -401.161846
where:
bonds (distance) C4'-P energy: -98.571
bonds (distance) P-C4' energy: -89.279
flat angles C4'-P-C4' energy: -83.505
flat angles P-C4'-P energy: -53.465
tors. eta vs tors. theta energy: -76.342
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: 353
Temperature: 1.050000
Total energy: -762.005741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.005741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.005741 (E_RNA)
where:
Base-Base interactions energy: -398.345
where: short stacking energy: -244.070
Base-Backbone interact. energy: -1.130
local terms energy: -362.531695
where:
bonds (distance) C4'-P energy: -82.626
bonds (distance) P-C4' energy: -84.408
flat angles C4'-P-C4' energy: -84.632
flat angles P-C4'-P energy: -50.343
tors. eta vs tors. theta energy: -60.523
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: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -656.487389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.487389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.487389 (E_RNA)
where:
Base-Base interactions energy: -328.310
where: short stacking energy: -191.594
Base-Backbone interact. energy: -2.196
local terms energy: -325.981521
where:
bonds (distance) C4'-P energy: -85.807
bonds (distance) P-C4' energy: -85.504
flat angles C4'-P-C4' energy: -74.081
flat angles P-C4'-P energy: -49.173
tors. eta vs tors. theta energy: -31.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -502.982959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.982959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.982959 (E_RNA)
where:
Base-Base interactions energy: -209.191
where: short stacking energy: -172.084
Base-Backbone interact. energy: -1.021
local terms energy: -292.770765
where:
bonds (distance) C4'-P energy: -70.678
bonds (distance) P-C4' energy: -85.458
flat angles C4'-P-C4' energy: -63.721
flat angles P-C4'-P energy: -58.312
tors. eta vs tors. theta energy: -14.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -464.415749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.415749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.415749 (E_RNA)
where:
Base-Base interactions energy: -153.855
where: short stacking energy: -129.884
Base-Backbone interact. energy: 2.417
local terms energy: -312.977924
where:
bonds (distance) C4'-P energy: -73.007
bonds (distance) P-C4' energy: -92.064
flat angles C4'-P-C4' energy: -89.241
flat angles P-C4'-P energy: -47.357
tors. eta vs tors. theta energy: -11.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -410.049635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.049635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.049635 (E_RNA)
where:
Base-Base interactions energy: -135.083
where: short stacking energy: -130.508
Base-Backbone interact. energy: 0.359
local terms energy: -275.325700
where:
bonds (distance) C4'-P energy: -84.973
bonds (distance) P-C4' energy: -78.285
flat angles C4'-P-C4' energy: -69.129
flat angles P-C4'-P energy: -46.154
tors. eta vs tors. theta energy: 3.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -388.868610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.868610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.868610 (E_RNA)
where:
Base-Base interactions energy: -119.050
where: short stacking energy: -111.100
Base-Backbone interact. energy: -2.517
local terms energy: -267.301247
where:
bonds (distance) C4'-P energy: -68.825
bonds (distance) P-C4' energy: -89.078
flat angles C4'-P-C4' energy: -87.776
flat angles P-C4'-P energy: -31.153
tors. eta vs tors. theta energy: 9.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -359.702153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.702153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.702153 (E_RNA)
where:
Base-Base interactions energy: -120.828
where: short stacking energy: -108.581
Base-Backbone interact. energy: -1.833
local terms energy: -237.040572
where:
bonds (distance) C4'-P energy: -62.657
bonds (distance) P-C4' energy: -77.154
flat angles C4'-P-C4' energy: -73.979
flat angles P-C4'-P energy: -28.259
tors. eta vs tors. theta energy: 5.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1266.306902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.306902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.306902 (E_RNA)
where:
Base-Base interactions energy: -765.773
where: short stacking energy: -457.951
Base-Backbone interact. energy: -0.882
local terms energy: -499.652623
where:
bonds (distance) C4'-P energy: -102.358
bonds (distance) P-C4' energy: -90.663
flat angles C4'-P-C4' energy: -99.903
flat angles P-C4'-P energy: -61.884
tors. eta vs tors. theta energy: -144.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1081.490617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.490617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.490617 (E_RNA)
where:
Base-Base interactions energy: -650.074
where: short stacking energy: -362.647
Base-Backbone interact. energy: -1.032
local terms energy: -430.385030
where:
bonds (distance) C4'-P energy: -91.307
bonds (distance) P-C4' energy: -90.322
flat angles C4'-P-C4' energy: -94.787
flat angles P-C4'-P energy: -60.316
tors. eta vs tors. theta energy: -93.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -855.451657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.451657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.451657 (E_RNA)
where:
Base-Base interactions energy: -429.300
where: short stacking energy: -286.694
Base-Backbone interact. energy: -0.577
local terms energy: -425.574284
where:
bonds (distance) C4'-P energy: -94.329
bonds (distance) P-C4' energy: -91.808
flat angles C4'-P-C4' energy: -99.447
flat angles P-C4'-P energy: -73.414
tors. eta vs tors. theta energy: -66.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -794.403294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.403294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.403294 (E_RNA)
where:
Base-Base interactions energy: -438.077
where: short stacking energy: -279.572
Base-Backbone interact. energy: -0.792
local terms energy: -355.533963
where:
bonds (distance) C4'-P energy: -83.348
bonds (distance) P-C4' energy: -81.098
flat angles C4'-P-C4' energy: -87.659
flat angles P-C4'-P energy: -40.541
tors. eta vs tors. theta energy: -62.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -671.329700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.329700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.329700 (E_RNA)
where:
Base-Base interactions energy: -325.449
where: short stacking energy: -207.093
Base-Backbone interact. energy: 0.347
local terms energy: -346.227740
where:
bonds (distance) C4'-P energy: -80.368
bonds (distance) P-C4' energy: -88.492
flat angles C4'-P-C4' energy: -90.028
flat angles P-C4'-P energy: -47.528
tors. eta vs tors. theta energy: -39.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -594.973448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.973448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.973448 (E_RNA)
where:
Base-Base interactions energy: -270.975
where: short stacking energy: -185.992
Base-Backbone interact. energy: -0.050
local terms energy: -323.948430
where:
bonds (distance) C4'-P energy: -79.189
bonds (distance) P-C4' energy: -91.330
flat angles C4'-P-C4' energy: -74.695
flat angles P-C4'-P energy: -58.401
tors. eta vs tors. theta energy: -20.334
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: 7, replica: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -416.665098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.665098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.665098 (E_RNA)
where:
Base-Base interactions energy: -153.884
where: short stacking energy: -137.546
Base-Backbone interact. energy: -0.401
local terms energy: -262.380165
where:
bonds (distance) C4'-P energy: -61.719
bonds (distance) P-C4' energy: -95.915
flat angles C4'-P-C4' energy: -77.326
flat angles P-C4'-P energy: -31.766
tors. eta vs tors. theta energy: 4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -404.756872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.756872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.756872 (E_RNA)
where:
Base-Base interactions energy: -127.408
where: short stacking energy: -108.043
Base-Backbone interact. energy: -0.722
local terms energy: -276.626786
where:
bonds (distance) C4'-P energy: -74.867
bonds (distance) P-C4' energy: -85.147
flat angles C4'-P-C4' energy: -64.072
flat angles P-C4'-P energy: -59.491
tors. eta vs tors. theta energy: 6.951
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: 354
Temperature: 1.300000
Total energy: -382.151584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.151584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.151584 (E_RNA)
where:
Base-Base interactions energy: -111.267
where: short stacking energy: -94.661
Base-Backbone interact. energy: 0.670
local terms energy: -271.554682
where:
bonds (distance) C4'-P energy: -69.801
bonds (distance) P-C4' energy: -86.913
flat angles C4'-P-C4' energy: -84.520
flat angles P-C4'-P energy: -41.383
tors. eta vs tors. theta energy: 11.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -352.272085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.272085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.272085 (E_RNA)
where:
Base-Base interactions energy: -120.269
where: short stacking energy: -104.396
Base-Backbone interact. energy: -2.972
local terms energy: -229.031008
where:
bonds (distance) C4'-P energy: -68.198
bonds (distance) P-C4' energy: -80.986
flat angles C4'-P-C4' energy: -61.141
flat angles P-C4'-P energy: -38.379
tors. eta vs tors. theta energy: 19.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1248.904546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.904546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.904546 (E_RNA)
where:
Base-Base interactions energy: -764.689
where: short stacking energy: -467.028
Base-Backbone interact. energy: -1.518
local terms energy: -482.697629
where:
bonds (distance) C4'-P energy: -82.773
bonds (distance) P-C4' energy: -87.303
flat angles C4'-P-C4' energy: -104.118
flat angles P-C4'-P energy: -61.258
tors. eta vs tors. theta energy: -147.245
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: 2, replica: 6
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1085.614036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.614036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.614036 (E_RNA)
where:
Base-Base interactions energy: -639.232
where: short stacking energy: -365.495
Base-Backbone interact. energy: -1.549
local terms energy: -444.832989
where:
bonds (distance) C4'-P energy: -81.085
bonds (distance) P-C4' energy: -86.595
flat angles C4'-P-C4' energy: -92.698
flat angles P-C4'-P energy: -76.845
tors. eta vs tors. theta energy: -107.610
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: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -864.005825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.005825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.005825 (E_RNA)
where:
Base-Base interactions energy: -453.373
where: short stacking energy: -301.086
Base-Backbone interact. energy: -1.884
local terms energy: -408.748314
where:
bonds (distance) C4'-P energy: -94.402
bonds (distance) P-C4' energy: -92.499
flat angles C4'-P-C4' energy: -95.245
flat angles P-C4'-P energy: -51.746
tors. eta vs tors. theta energy: -74.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -814.236765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.236765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.236765 (E_RNA)
where:
Base-Base interactions energy: -424.975
where: short stacking energy: -268.071
Base-Backbone interact. energy: -0.725
local terms energy: -388.536387
where:
bonds (distance) C4'-P energy: -85.619
bonds (distance) P-C4' energy: -90.102
flat angles C4'-P-C4' energy: -92.620
flat angles P-C4'-P energy: -61.780
tors. eta vs tors. theta energy: -58.416
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: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -646.505254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.505254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.505254 (E_RNA)
where:
Base-Base interactions energy: -287.258
where: short stacking energy: -199.081
Base-Backbone interact. energy: 4.277
local terms energy: -363.524201
where:
bonds (distance) C4'-P energy: -92.588
bonds (distance) P-C4' energy: -94.870
flat angles C4'-P-C4' energy: -83.085
flat angles P-C4'-P energy: -59.435
tors. eta vs tors. theta energy: -33.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -562.589943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.589943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.589943 (E_RNA)
where:
Base-Base interactions energy: -228.011
where: short stacking energy: -190.629
Base-Backbone interact. energy: -0.902
local terms energy: -333.677240
where:
bonds (distance) C4'-P energy: -86.785
bonds (distance) P-C4' energy: -72.472
flat angles C4'-P-C4' energy: -87.425
flat angles P-C4'-P energy: -53.312
tors. eta vs tors. theta energy: -33.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -462.157589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.157589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.157589 (E_RNA)
where:
Base-Base interactions energy: -152.760
where: short stacking energy: -141.887
Base-Backbone interact. energy: 0.632
local terms energy: -310.029811
where:
bonds (distance) C4'-P energy: -83.648
bonds (distance) P-C4' energy: -86.142
flat angles C4'-P-C4' energy: -69.783
flat angles P-C4'-P energy: -53.600
tors. eta vs tors. theta energy: -16.857
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: 355
Temperature: 1.250000
Total energy: -409.578543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.578543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.578543 (E_RNA)
where:
Base-Base interactions energy: -138.102
where: short stacking energy: -127.508
Base-Backbone interact. energy: 2.791
local terms energy: -274.268080
where:
bonds (distance) C4'-P energy: -70.885
bonds (distance) P-C4' energy: -83.067
flat angles C4'-P-C4' energy: -72.939
flat angles P-C4'-P energy: -50.461
tors. eta vs tors. theta energy: 3.084
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: 9, replica: 3
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -370.579385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.579385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.579385 (E_RNA)
where:
Base-Base interactions energy: -126.502
where: short stacking energy: -107.222
Base-Backbone interact. energy: -0.023
local terms energy: -244.054383
where:
bonds (distance) C4'-P energy: -68.281
bonds (distance) P-C4' energy: -91.498
flat angles C4'-P-C4' energy: -60.895
flat angles P-C4'-P energy: -38.848
tors. eta vs tors. theta energy: 15.467
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: 355
Temperature: 1.350000
Total energy: -370.198558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.198558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.198558 (E_RNA)
where:
Base-Base interactions energy: -125.492
where: short stacking energy: -110.290
Base-Backbone interact. energy: 5.750
local terms energy: -250.456268
where:
bonds (distance) C4'-P energy: -72.240
bonds (distance) P-C4' energy: -80.316
flat angles C4'-P-C4' energy: -64.514
flat angles P-C4'-P energy: -46.751
tors. eta vs tors. theta energy: 13.365
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: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1312.409039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.409039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.409039 (E_RNA)
where:
Base-Base interactions energy: -797.603
where: short stacking energy: -466.952
Base-Backbone interact. energy: 4.882
local terms energy: -519.688229
where:
bonds (distance) C4'-P energy: -90.584
bonds (distance) P-C4' energy: -100.803
flat angles C4'-P-C4' energy: -105.025
flat angles P-C4'-P energy: -73.816
tors. eta vs tors. theta energy: -149.460
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: 6
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1164.670953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.670953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.670953 (E_RNA)
where:
Base-Base interactions energy: -703.748
where: short stacking energy: -403.253
Base-Backbone interact. energy: 1.090
local terms energy: -462.013331
where:
bonds (distance) C4'-P energy: -91.084
bonds (distance) P-C4' energy: -81.824
flat angles C4'-P-C4' energy: -104.486
flat angles P-C4'-P energy: -62.515
tors. eta vs tors. theta energy: -122.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -866.590302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.590302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.590302 (E_RNA)
where:
Base-Base interactions energy: -471.966
where: short stacking energy: -293.477
Base-Backbone interact. energy: -0.213
local terms energy: -394.410450
where:
bonds (distance) C4'-P energy: -83.531
bonds (distance) P-C4' energy: -96.599
flat angles C4'-P-C4' energy: -94.407
flat angles P-C4'-P energy: -51.993
tors. eta vs tors. theta energy: -67.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -777.924031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.924031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.924031 (E_RNA)
where:
Base-Base interactions energy: -402.027
where: short stacking energy: -258.419
Base-Backbone interact. energy: -2.181
local terms energy: -373.716142
where:
bonds (distance) C4'-P energy: -84.871
bonds (distance) P-C4' energy: -93.656
flat angles C4'-P-C4' energy: -87.648
flat angles P-C4'-P energy: -51.523
tors. eta vs tors. theta energy: -56.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -673.089791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.089791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.089791 (E_RNA)
where:
Base-Base interactions energy: -331.588
where: short stacking energy: -231.248
Base-Backbone interact. energy: 0.108
local terms energy: -341.609567
where:
bonds (distance) C4'-P energy: -76.264
bonds (distance) P-C4' energy: -78.634
flat angles C4'-P-C4' energy: -77.904
flat angles P-C4'-P energy: -62.803
tors. eta vs tors. theta energy: -46.005
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: 1
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -564.246333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.246333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.246333 (E_RNA)
where:
Base-Base interactions energy: -279.575
where: short stacking energy: -202.594
Base-Backbone interact. energy: -2.549
local terms energy: -282.122368
where:
bonds (distance) C4'-P energy: -72.641
bonds (distance) P-C4' energy: -88.385
flat angles C4'-P-C4' energy: -60.018
flat angles P-C4'-P energy: -40.491
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -465.515195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.515195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.515195 (E_RNA)
where:
Base-Base interactions energy: -167.069
where: short stacking energy: -145.200
Base-Backbone interact. energy: -1.825
local terms energy: -296.621108
where:
bonds (distance) C4'-P energy: -78.077
bonds (distance) P-C4' energy: -89.659
flat angles C4'-P-C4' energy: -83.685
flat angles P-C4'-P energy: -33.320
tors. eta vs tors. theta energy: -11.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -416.261460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.261460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.261460 (E_RNA)
where:
Base-Base interactions energy: -165.471
where: short stacking energy: -139.477
Base-Backbone interact. energy: 1.369
local terms energy: -252.159566
where:
bonds (distance) C4'-P energy: -59.273
bonds (distance) P-C4' energy: -80.548
flat angles C4'-P-C4' energy: -60.611
flat angles P-C4'-P energy: -43.225
tors. eta vs tors. theta energy: -8.503
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: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -364.036722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.036722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.036722 (E_RNA)
where:
Base-Base interactions energy: -117.835
where: short stacking energy: -109.307
Base-Backbone interact. energy: -0.751
local terms energy: -245.451455
where:
bonds (distance) C4'-P energy: -64.883
bonds (distance) P-C4' energy: -63.659
flat angles C4'-P-C4' energy: -75.221
flat angles P-C4'-P energy: -48.448
tors. eta vs tors. theta energy: 6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -365.400938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.400938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.400938 (E_RNA)
where:
Base-Base interactions energy: -116.241
where: short stacking energy: -88.002
Base-Backbone interact. energy: -0.773
local terms energy: -248.386516
where:
bonds (distance) C4'-P energy: -79.542
bonds (distance) P-C4' energy: -89.703
flat angles C4'-P-C4' energy: -74.170
flat angles P-C4'-P energy: -26.523
tors. eta vs tors. theta energy: 21.552
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: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1279.644955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.644955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.644955 (E_RNA)
where:
Base-Base interactions energy: -764.688
where: short stacking energy: -449.545
Base-Backbone interact. energy: -1.191
local terms energy: -513.765824
where:
bonds (distance) C4'-P energy: -84.333
bonds (distance) P-C4' energy: -105.004
flat angles C4'-P-C4' energy: -103.496
flat angles P-C4'-P energy: -72.369
tors. eta vs tors. theta energy: -148.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1172.720597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.720597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.720597 (E_RNA)
where:
Base-Base interactions energy: -677.471
where: short stacking energy: -401.572
Base-Backbone interact. energy: -1.130
local terms energy: -494.119568
where:
bonds (distance) C4'-P energy: -88.457
bonds (distance) P-C4' energy: -101.655
flat angles C4'-P-C4' energy: -104.730
flat angles P-C4'-P energy: -77.095
tors. eta vs tors. theta energy: -122.184
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: 10
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -915.419077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.419077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.419077 (E_RNA)
where:
Base-Base interactions energy: -499.121
where: short stacking energy: -315.471
Base-Backbone interact. energy: -1.848
local terms energy: -414.450177
where:
bonds (distance) C4'-P energy: -84.424
bonds (distance) P-C4' energy: -88.355
flat angles C4'-P-C4' energy: -82.736
flat angles P-C4'-P energy: -64.163
tors. eta vs tors. theta energy: -94.772
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: 7
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -756.606466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.606466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.606466 (E_RNA)
where:
Base-Base interactions energy: -393.985
where: short stacking energy: -251.895
Base-Backbone interact. energy: 0.733
local terms energy: -363.353851
where:
bonds (distance) C4'-P energy: -76.923
bonds (distance) P-C4' energy: -91.063
flat angles C4'-P-C4' energy: -85.113
flat angles P-C4'-P energy: -47.872
tors. eta vs tors. theta energy: -62.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -676.091222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.091222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.091222 (E_RNA)
where:
Base-Base interactions energy: -321.757
where: short stacking energy: -205.192
Base-Backbone interact. energy: -2.908
local terms energy: -351.426734
where:
bonds (distance) C4'-P energy: -77.317
bonds (distance) P-C4' energy: -99.664
flat angles C4'-P-C4' energy: -80.009
flat angles P-C4'-P energy: -56.688
tors. eta vs tors. theta energy: -37.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -591.087454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.087454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.087454 (E_RNA)
where:
Base-Base interactions energy: -243.583
where: short stacking energy: -192.477
Base-Backbone interact. energy: -1.118
local terms energy: -346.385816
where:
bonds (distance) C4'-P energy: -80.840
bonds (distance) P-C4' energy: -97.453
flat angles C4'-P-C4' energy: -78.816
flat angles P-C4'-P energy: -49.596
tors. eta vs tors. theta energy: -39.679
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: 357
Temperature: 1.200000
Total energy: -466.339466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.339466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.339466 (E_RNA)
where:
Base-Base interactions energy: -177.692
where: short stacking energy: -169.787
Base-Backbone interact. energy: -2.260
local terms energy: -286.387381
where:
bonds (distance) C4'-P energy: -81.145
bonds (distance) P-C4' energy: -87.645
flat angles C4'-P-C4' energy: -44.703
flat angles P-C4'-P energy: -46.025
tors. eta vs tors. theta energy: -26.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -401.404028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.404028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.404028 (E_RNA)
where:
Base-Base interactions energy: -124.151
where: short stacking energy: -113.776
Base-Backbone interact. energy: -0.854
local terms energy: -276.399661
where:
bonds (distance) C4'-P energy: -78.448
bonds (distance) P-C4' energy: -72.670
flat angles C4'-P-C4' energy: -67.679
flat angles P-C4'-P energy: -53.942
tors. eta vs tors. theta energy: -3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -378.290858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.290858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.290858 (E_RNA)
where:
Base-Base interactions energy: -117.407
where: short stacking energy: -109.413
Base-Backbone interact. energy: 4.848
local terms energy: -265.732560
where:
bonds (distance) C4'-P energy: -79.452
bonds (distance) P-C4' energy: -77.619
flat angles C4'-P-C4' energy: -79.406
flat angles P-C4'-P energy: -43.373
tors. eta vs tors. theta energy: 14.117
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: 10, replica: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -350.168878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.168878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.168878 (E_RNA)
where:
Base-Base interactions energy: -111.572
where: short stacking energy: -88.255
Base-Backbone interact. energy: 2.532
local terms energy: -241.129086
where:
bonds (distance) C4'-P energy: -73.342
bonds (distance) P-C4' energy: -71.938
flat angles C4'-P-C4' energy: -60.223
flat angles P-C4'-P energy: -48.119
tors. eta vs tors. theta energy: 12.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1254.054909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.054909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.054909 (E_RNA)
where:
Base-Base interactions energy: -755.526
where: short stacking energy: -442.982
Base-Backbone interact. energy: -0.335
local terms energy: -498.193221
where:
bonds (distance) C4'-P energy: -94.875
bonds (distance) P-C4' energy: -96.888
flat angles C4'-P-C4' energy: -114.115
flat angles P-C4'-P energy: -50.758
tors. eta vs tors. theta energy: -141.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1127.575418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.575418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.575418 (E_RNA)
where:
Base-Base interactions energy: -659.323
where: short stacking energy: -374.867
Base-Backbone interact. energy: -2.877
local terms energy: -465.375903
where:
bonds (distance) C4'-P energy: -81.282
bonds (distance) P-C4' energy: -106.897
flat angles C4'-P-C4' energy: -102.717
flat angles P-C4'-P energy: -55.820
tors. eta vs tors. theta energy: -118.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -838.741333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.741333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.741333 (E_RNA)
where:
Base-Base interactions energy: -442.864
where: short stacking energy: -278.086
Base-Backbone interact. energy: -0.103
local terms energy: -395.774633
where:
bonds (distance) C4'-P energy: -78.447
bonds (distance) P-C4' energy: -94.470
flat angles C4'-P-C4' energy: -91.993
flat angles P-C4'-P energy: -70.590
tors. eta vs tors. theta energy: -60.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -832.440632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.440632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.440632 (E_RNA)
where:
Base-Base interactions energy: -452.364
where: short stacking energy: -260.280
Base-Backbone interact. energy: 0.303
local terms energy: -380.378858
where:
bonds (distance) C4'-P energy: -79.361
bonds (distance) P-C4' energy: -88.293
flat angles C4'-P-C4' energy: -98.127
flat angles P-C4'-P energy: -63.387
tors. eta vs tors. theta energy: -51.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -683.298689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.298689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.298689 (E_RNA)
where:
Base-Base interactions energy: -329.874
where: short stacking energy: -232.218
Base-Backbone interact. energy: -1.914
local terms energy: -351.511299
where:
bonds (distance) C4'-P energy: -92.631
bonds (distance) P-C4' energy: -84.926
flat angles C4'-P-C4' energy: -84.970
flat angles P-C4'-P energy: -42.307
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: 1
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -532.699434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.699434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.699434 (E_RNA)
where:
Base-Base interactions energy: -225.099
where: short stacking energy: -166.528
Base-Backbone interact. energy: 4.131
local terms energy: -311.731637
where:
bonds (distance) C4'-P energy: -82.218
bonds (distance) P-C4' energy: -83.196
flat angles C4'-P-C4' energy: -76.568
flat angles P-C4'-P energy: -50.712
tors. eta vs tors. theta energy: -19.037
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: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -451.275091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.275091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.275091 (E_RNA)
where:
Base-Base interactions energy: -178.363
where: short stacking energy: -133.648
Base-Backbone interact. energy: -1.891
local terms energy: -271.020440
where:
bonds (distance) C4'-P energy: -79.426
bonds (distance) P-C4' energy: -82.838
flat angles C4'-P-C4' energy: -71.351
flat angles P-C4'-P energy: -37.334
tors. eta vs tors. theta energy: -0.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -434.445839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.445839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.445839 (E_RNA)
where:
Base-Base interactions energy: -153.661
where: short stacking energy: -142.215
Base-Backbone interact. energy: -2.396
local terms energy: -278.388372
where:
bonds (distance) C4'-P energy: -68.295
bonds (distance) P-C4' energy: -85.087
flat angles C4'-P-C4' energy: -82.167
flat angles P-C4'-P energy: -41.016
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: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -373.139664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.139664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.139664 (E_RNA)
where:
Base-Base interactions energy: -127.269
where: short stacking energy: -113.912
Base-Backbone interact. energy: 3.212
local terms energy: -249.082852
where:
bonds (distance) C4'-P energy: -79.999
bonds (distance) P-C4' energy: -91.239
flat angles C4'-P-C4' energy: -47.030
flat angles P-C4'-P energy: -28.606
tors. eta vs tors. theta energy: -2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -363.806184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.806184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.806184 (E_RNA)
where:
Base-Base interactions energy: -109.189
where: short stacking energy: -97.392
Base-Backbone interact. energy: 0.930
local terms energy: -255.547234
where:
bonds (distance) C4'-P energy: -76.570
bonds (distance) P-C4' energy: -77.771
flat angles C4'-P-C4' energy: -71.585
flat angles P-C4'-P energy: -40.664
tors. eta vs tors. theta energy: 11.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1269.250374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.250374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.250374 (E_RNA)
where:
Base-Base interactions energy: -757.695
where: short stacking energy: -458.886
Base-Backbone interact. energy: -1.444
local terms energy: -510.110936
where:
bonds (distance) C4'-P energy: -91.117
bonds (distance) P-C4' energy: -98.298
flat angles C4'-P-C4' energy: -103.734
flat angles P-C4'-P energy: -70.401
tors. eta vs tors. theta energy: -146.561
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: 6
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1194.066534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.066534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.066534 (E_RNA)
where:
Base-Base interactions energy: -713.893
where: short stacking energy: -417.992
Base-Backbone interact. energy: 0.565
local terms energy: -480.738974
where:
bonds (distance) C4'-P energy: -85.312
bonds (distance) P-C4' energy: -93.959
flat angles C4'-P-C4' energy: -104.065
flat angles P-C4'-P energy: -74.236
tors. eta vs tors. theta energy: -123.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -848.595411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.595411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.595411 (E_RNA)
where:
Base-Base interactions energy: -451.454
where: short stacking energy: -298.094
Base-Backbone interact. energy: -1.862
local terms energy: -395.278642
where:
bonds (distance) C4'-P energy: -92.214
bonds (distance) P-C4' energy: -90.934
flat angles C4'-P-C4' energy: -90.407
flat angles P-C4'-P energy: -50.188
tors. eta vs tors. theta energy: -71.536
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: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -834.681923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.681923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.681923 (E_RNA)
where:
Base-Base interactions energy: -456.395
where: short stacking energy: -271.283
Base-Backbone interact. energy: 1.414
local terms energy: -379.701424
where:
bonds (distance) C4'-P energy: -84.369
bonds (distance) P-C4' energy: -85.463
flat angles C4'-P-C4' energy: -83.556
flat angles P-C4'-P energy: -62.062
tors. eta vs tors. theta energy: -64.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -685.663036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.663036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.663036 (E_RNA)
where:
Base-Base interactions energy: -357.063
where: short stacking energy: -220.028
Base-Backbone interact. energy: -1.383
local terms energy: -327.217006
where:
bonds (distance) C4'-P energy: -87.716
bonds (distance) P-C4' energy: -78.740
flat angles C4'-P-C4' energy: -87.151
flat angles P-C4'-P energy: -42.455
tors. eta vs tors. theta energy: -31.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -579.497987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.497987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.497987 (E_RNA)
where:
Base-Base interactions energy: -265.305
where: short stacking energy: -195.029
Base-Backbone interact. energy: -0.397
local terms energy: -313.796279
where:
bonds (distance) C4'-P energy: -76.727
bonds (distance) P-C4' energy: -90.187
flat angles C4'-P-C4' energy: -73.374
flat angles P-C4'-P energy: -41.651
tors. eta vs tors. theta energy: -31.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -458.422826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.422826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.422826 (E_RNA)
where:
Base-Base interactions energy: -186.189
where: short stacking energy: -154.428
Base-Backbone interact. energy: 2.014
local terms energy: -274.247631
where:
bonds (distance) C4'-P energy: -76.402
bonds (distance) P-C4' energy: -84.754
flat angles C4'-P-C4' energy: -70.628
flat angles P-C4'-P energy: -40.023
tors. eta vs tors. theta energy: -2.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -439.880544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.880544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.880544 (E_RNA)
where:
Base-Base interactions energy: -166.007
where: short stacking energy: -150.306
Base-Backbone interact. energy: -1.726
local terms energy: -272.147101
where:
bonds (distance) C4'-P energy: -74.293
bonds (distance) P-C4' energy: -69.406
flat angles C4'-P-C4' energy: -71.738
flat angles P-C4'-P energy: -49.300
tors. eta vs tors. theta energy: -7.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -387.981995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.981995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.981995 (E_RNA)
where:
Base-Base interactions energy: -119.629
where: short stacking energy: -106.381
Base-Backbone interact. energy: -0.653
local terms energy: -267.699766
where:
bonds (distance) C4'-P energy: -72.433
bonds (distance) P-C4' energy: -94.193
flat angles C4'-P-C4' energy: -62.754
flat angles P-C4'-P energy: -44.140
tors. eta vs tors. theta energy: 5.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -344.936277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.936277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.936277 (E_RNA)
where:
Base-Base interactions energy: -109.399
where: short stacking energy: -100.253
Base-Backbone interact. energy: 1.153
local terms energy: -236.689934
where:
bonds (distance) C4'-P energy: -72.726
bonds (distance) P-C4' energy: -65.175
flat angles C4'-P-C4' energy: -70.954
flat angles P-C4'-P energy: -35.123
tors. eta vs tors. theta energy: 7.288
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: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1246.013760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.013760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.013760 (E_RNA)
where:
Base-Base interactions energy: -733.288
where: short stacking energy: -434.734
Base-Backbone interact. energy: -1.529
local terms energy: -511.197742
where:
bonds (distance) C4'-P energy: -99.784
bonds (distance) P-C4' energy: -90.061
flat angles C4'-P-C4' energy: -104.873
flat angles P-C4'-P energy: -82.381
tors. eta vs tors. theta energy: -134.098
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: 6
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1183.418955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.418955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.418955 (E_RNA)
where:
Base-Base interactions energy: -708.995
where: short stacking energy: -387.910
Base-Backbone interact. energy: -0.193
local terms energy: -474.230925
where:
bonds (distance) C4'-P energy: -101.159
bonds (distance) P-C4' energy: -96.370
flat angles C4'-P-C4' energy: -99.737
flat angles P-C4'-P energy: -66.217
tors. eta vs tors. theta energy: -110.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -869.479647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.479647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.479647 (E_RNA)
where:
Base-Base interactions energy: -458.983
where: short stacking energy: -325.464
Base-Backbone interact. energy: -1.625
local terms energy: -408.871581
where:
bonds (distance) C4'-P energy: -88.754
bonds (distance) P-C4' energy: -88.406
flat angles C4'-P-C4' energy: -98.039
flat angles P-C4'-P energy: -54.934
tors. eta vs tors. theta energy: -78.739
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: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -861.091143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.091143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.091143 (E_RNA)
where:
Base-Base interactions energy: -463.154
where: short stacking energy: -300.512
Base-Backbone interact. energy: -0.641
local terms energy: -397.296567
where:
bonds (distance) C4'-P energy: -83.802
bonds (distance) P-C4' energy: -81.553
flat angles C4'-P-C4' energy: -99.502
flat angles P-C4'-P energy: -53.181
tors. eta vs tors. theta energy: -79.259
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: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -654.881665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.881665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.881665 (E_RNA)
where:
Base-Base interactions energy: -324.610
where: short stacking energy: -242.832
Base-Backbone interact. energy: 2.049
local terms energy: -332.320237
where:
bonds (distance) C4'-P energy: -80.186
bonds (distance) P-C4' energy: -83.345
flat angles C4'-P-C4' energy: -77.763
flat angles P-C4'-P energy: -46.849
tors. eta vs tors. theta energy: -44.177
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: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -573.117446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.117446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.117446 (E_RNA)
where:
Base-Base interactions energy: -286.097
where: short stacking energy: -197.536
Base-Backbone interact. energy: 0.676
local terms energy: -287.696592
where:
bonds (distance) C4'-P energy: -73.133
bonds (distance) P-C4' energy: -69.520
flat angles C4'-P-C4' energy: -83.211
flat angles P-C4'-P energy: -40.243
tors. eta vs tors. theta energy: -21.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -462.551983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.551983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.551983 (E_RNA)
where:
Base-Base interactions energy: -146.907
where: short stacking energy: -142.308
Base-Backbone interact. energy: 0.684
local terms energy: -316.328894
where:
bonds (distance) C4'-P energy: -74.567
bonds (distance) P-C4' energy: -93.574
flat angles C4'-P-C4' energy: -73.419
flat angles P-C4'-P energy: -51.832
tors. eta vs tors. theta energy: -22.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -404.998611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.998611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.998611 (E_RNA)
where:
Base-Base interactions energy: -129.938
where: short stacking energy: -115.060
Base-Backbone interact. energy: 3.161
local terms energy: -278.221163
where:
bonds (distance) C4'-P energy: -84.571
bonds (distance) P-C4' energy: -80.183
flat angles C4'-P-C4' energy: -67.733
flat angles P-C4'-P energy: -44.506
tors. eta vs tors. theta energy: -1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -378.291756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.291756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.291756 (E_RNA)
where:
Base-Base interactions energy: -132.119
where: short stacking energy: -114.153
Base-Backbone interact. energy: 0.267
local terms energy: -246.439834
where:
bonds (distance) C4'-P energy: -72.736
bonds (distance) P-C4' energy: -73.775
flat angles C4'-P-C4' energy: -69.302
flat angles P-C4'-P energy: -45.840
tors. eta vs tors. theta energy: 15.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -333.534971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.534971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.534971 (E_RNA)
where:
Base-Base interactions energy: -124.549
where: short stacking energy: -110.258
Base-Backbone interact. energy: -0.526
local terms energy: -208.460486
where:
bonds (distance) C4'-P energy: -71.500
bonds (distance) P-C4' energy: -71.111
flat angles C4'-P-C4' energy: -65.654
flat angles P-C4'-P energy: -22.014
tors. eta vs tors. theta energy: 21.818
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: 1, replica: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1226.998072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.998072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.998072 (E_RNA)
where:
Base-Base interactions energy: -727.471
where: short stacking energy: -448.965
Base-Backbone interact. energy: -1.308
local terms energy: -498.218962
where:
bonds (distance) C4'-P energy: -91.560
bonds (distance) P-C4' energy: -89.665
flat angles C4'-P-C4' energy: -107.887
flat angles P-C4'-P energy: -73.589
tors. eta vs tors. theta energy: -135.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1195.480869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.480869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.480869 (E_RNA)
where:
Base-Base interactions energy: -734.530
where: short stacking energy: -426.152
Base-Backbone interact. energy: -0.564
local terms energy: -460.387401
where:
bonds (distance) C4'-P energy: -78.708
bonds (distance) P-C4' energy: -95.468
flat angles C4'-P-C4' energy: -98.446
flat angles P-C4'-P energy: -56.934
tors. eta vs tors. theta energy: -130.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -873.227965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.227965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.227965 (E_RNA)
where:
Base-Base interactions energy: -460.104
where: short stacking energy: -286.688
Base-Backbone interact. energy: -0.947
local terms energy: -412.177289
where:
bonds (distance) C4'-P energy: -87.489
bonds (distance) P-C4' energy: -104.079
flat angles C4'-P-C4' energy: -88.794
flat angles P-C4'-P energy: -57.056
tors. eta vs tors. theta energy: -74.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -849.028194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.028194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.028194 (E_RNA)
where:
Base-Base interactions energy: -455.404
where: short stacking energy: -283.928
Base-Backbone interact. energy: 0.771
local terms energy: -394.395494
where:
bonds (distance) C4'-P energy: -83.598
bonds (distance) P-C4' energy: -83.957
flat angles C4'-P-C4' energy: -87.800
flat angles P-C4'-P energy: -56.899
tors. eta vs tors. theta energy: -82.141
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: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -616.023442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.023442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.023442 (E_RNA)
where:
Base-Base interactions energy: -303.847
where: short stacking energy: -195.056
Base-Backbone interact. energy: -0.699
local terms energy: -311.477077
where:
bonds (distance) C4'-P energy: -92.594
bonds (distance) P-C4' energy: -86.703
flat angles C4'-P-C4' energy: -62.512
flat angles P-C4'-P energy: -49.675
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: 6, replica: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -499.261575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.261575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.261575 (E_RNA)
where:
Base-Base interactions energy: -188.719
where: short stacking energy: -158.149
Base-Backbone interact. energy: 0.214
local terms energy: -310.757175
where:
bonds (distance) C4'-P energy: -84.697
bonds (distance) P-C4' energy: -75.245
flat angles C4'-P-C4' energy: -86.537
flat angles P-C4'-P energy: -45.764
tors. eta vs tors. theta energy: -18.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -442.672968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.672968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.672968 (E_RNA)
where:
Base-Base interactions energy: -153.784
where: short stacking energy: -146.540
Base-Backbone interact. energy: 3.495
local terms energy: -292.383784
where:
bonds (distance) C4'-P energy: -78.935
bonds (distance) P-C4' energy: -87.765
flat angles C4'-P-C4' energy: -67.325
flat angles P-C4'-P energy: -51.026
tors. eta vs tors. theta energy: -7.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -421.339325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.339325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.339325 (E_RNA)
where:
Base-Base interactions energy: -156.136
where: short stacking energy: -115.973
Base-Backbone interact. energy: -2.846
local terms energy: -262.357147
where:
bonds (distance) C4'-P energy: -78.809
bonds (distance) P-C4' energy: -74.174
flat angles C4'-P-C4' energy: -74.862
flat angles P-C4'-P energy: -41.400
tors. eta vs tors. theta energy: 6.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -388.125880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.125880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.125880 (E_RNA)
where:
Base-Base interactions energy: -130.644
where: short stacking energy: -111.810
Base-Backbone interact. energy: -0.020
local terms energy: -257.461906
where:
bonds (distance) C4'-P energy: -66.058
bonds (distance) P-C4' energy: -88.944
flat angles C4'-P-C4' energy: -67.119
flat angles P-C4'-P energy: -41.590
tors. eta vs tors. theta energy: 6.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -342.195320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.195320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.195320 (E_RNA)
where:
Base-Base interactions energy: -103.402
where: short stacking energy: -89.708
Base-Backbone interact. energy: -0.381
local terms energy: -238.412144
where:
bonds (distance) C4'-P energy: -78.947
bonds (distance) P-C4' energy: -86.660
flat angles C4'-P-C4' energy: -55.833
flat angles P-C4'-P energy: -25.950
tors. eta vs tors. theta energy: 8.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1255.753833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.753833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.753833 (E_RNA)
where:
Base-Base interactions energy: -727.702
where: short stacking energy: -430.847
Base-Backbone interact. energy: -2.282
local terms energy: -525.770619
where:
bonds (distance) C4'-P energy: -96.345
bonds (distance) P-C4' energy: -102.540
flat angles C4'-P-C4' energy: -110.486
flat angles P-C4'-P energy: -78.869
tors. eta vs tors. theta energy: -137.532
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: 6
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1187.399562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.399562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.399562 (E_RNA)
where:
Base-Base interactions energy: -706.593
where: short stacking energy: -429.799
Base-Backbone interact. energy: 0.534
local terms energy: -481.340641
where:
bonds (distance) C4'-P energy: -90.097
bonds (distance) P-C4' energy: -92.764
flat angles C4'-P-C4' energy: -104.616
flat angles P-C4'-P energy: -60.595
tors. eta vs tors. theta energy: -133.270
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: 10
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -916.011442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.011442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.011442 (E_RNA)
where:
Base-Base interactions energy: -494.894
where: short stacking energy: -309.864
Base-Backbone interact. energy: -2.477
local terms energy: -418.640953
where:
bonds (distance) C4'-P energy: -91.575
bonds (distance) P-C4' energy: -98.762
flat angles C4'-P-C4' energy: -92.795
flat angles P-C4'-P energy: -58.324
tors. eta vs tors. theta energy: -77.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -760.849992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.849992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.849992 (E_RNA)
where:
Base-Base interactions energy: -403.521
where: short stacking energy: -268.208
Base-Backbone interact. energy: 1.395
local terms energy: -358.723123
where:
bonds (distance) C4'-P energy: -88.942
bonds (distance) P-C4' energy: -88.656
flat angles C4'-P-C4' energy: -84.700
flat angles P-C4'-P energy: -50.749
tors. eta vs tors. theta energy: -45.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -649.103478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.103478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.103478 (E_RNA)
where:
Base-Base interactions energy: -312.806
where: short stacking energy: -198.080
Base-Backbone interact. energy: -1.020
local terms energy: -335.276977
where:
bonds (distance) C4'-P energy: -88.161
bonds (distance) P-C4' energy: -89.236
flat angles C4'-P-C4' energy: -80.789
flat angles P-C4'-P energy: -45.686
tors. eta vs tors. theta energy: -31.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -491.127203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.127203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.127203 (E_RNA)
where:
Base-Base interactions energy: -182.849
where: short stacking energy: -163.417
Base-Backbone interact. energy: -1.756
local terms energy: -306.521968
where:
bonds (distance) C4'-P energy: -70.715
bonds (distance) P-C4' energy: -87.518
flat angles C4'-P-C4' energy: -71.509
flat angles P-C4'-P energy: -60.142
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -450.106684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.106684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.106684 (E_RNA)
where:
Base-Base interactions energy: -175.513
where: short stacking energy: -122.618
Base-Backbone interact. energy: 2.405
local terms energy: -276.998627
where:
bonds (distance) C4'-P energy: -57.036
bonds (distance) P-C4' energy: -86.353
flat angles C4'-P-C4' energy: -73.306
flat angles P-C4'-P energy: -43.340
tors. eta vs tors. theta energy: -16.963
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: 8, replica: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -429.836442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.836442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.836442 (E_RNA)
where:
Base-Base interactions energy: -142.948
where: short stacking energy: -132.797
Base-Backbone interact. energy: -1.380
local terms energy: -285.508779
where:
bonds (distance) C4'-P energy: -76.245
bonds (distance) P-C4' energy: -75.133
flat angles C4'-P-C4' energy: -83.246
flat angles P-C4'-P energy: -46.620
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: 9, replica: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -376.721721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.721721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.721721 (E_RNA)
where:
Base-Base interactions energy: -126.954
where: short stacking energy: -111.205
Base-Backbone interact. energy: -3.000
local terms energy: -246.768087
where:
bonds (distance) C4'-P energy: -70.534
bonds (distance) P-C4' energy: -75.145
flat angles C4'-P-C4' energy: -54.985
flat angles P-C4'-P energy: -43.843
tors. eta vs tors. theta energy: -2.261
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: 362
Temperature: 1.350000
Total energy: -352.316099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.316099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.316099 (E_RNA)
where:
Base-Base interactions energy: -120.311
where: short stacking energy: -108.080
Base-Backbone interact. energy: -0.565
local terms energy: -231.439763
where:
bonds (distance) C4'-P energy: -77.769
bonds (distance) P-C4' energy: -74.641
flat angles C4'-P-C4' energy: -52.911
flat angles P-C4'-P energy: -35.279
tors. eta vs tors. theta energy: 9.160
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: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1254.794832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.794832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.794832 (E_RNA)
where:
Base-Base interactions energy: -755.621
where: short stacking energy: -425.889
Base-Backbone interact. energy: -1.564
local terms energy: -497.609705
where:
bonds (distance) C4'-P energy: -95.463
bonds (distance) P-C4' energy: -84.230
flat angles C4'-P-C4' energy: -102.756
flat angles P-C4'-P energy: -74.887
tors. eta vs tors. theta energy: -140.273
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: 2, replica: 6
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1235.266543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.266543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.266543 (E_RNA)
where:
Base-Base interactions energy: -751.645
where: short stacking energy: -443.316
Base-Backbone interact. energy: 0.970
local terms energy: -484.591766
where:
bonds (distance) C4'-P energy: -78.400
bonds (distance) P-C4' energy: -102.434
flat angles C4'-P-C4' energy: -102.204
flat angles P-C4'-P energy: -69.268
tors. eta vs tors. theta energy: -132.286
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: 10
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -900.471081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.471081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.471081 (E_RNA)
where:
Base-Base interactions energy: -497.510
where: short stacking energy: -294.083
Base-Backbone interact. energy: -0.414
local terms energy: -402.547707
where:
bonds (distance) C4'-P energy: -95.912
bonds (distance) P-C4' energy: -87.315
flat angles C4'-P-C4' energy: -85.612
flat angles P-C4'-P energy: -57.435
tors. eta vs tors. theta energy: -76.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -839.083561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.083561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.083561 (E_RNA)
where:
Base-Base interactions energy: -451.378
where: short stacking energy: -278.068
Base-Backbone interact. energy: -1.825
local terms energy: -385.880554
where:
bonds (distance) C4'-P energy: -93.054
bonds (distance) P-C4' energy: -92.541
flat angles C4'-P-C4' energy: -88.371
flat angles P-C4'-P energy: -50.922
tors. eta vs tors. theta energy: -60.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -696.814459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.814459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.814459 (E_RNA)
where:
Base-Base interactions energy: -349.224
where: short stacking energy: -217.875
Base-Backbone interact. energy: 0.137
local terms energy: -347.727981
where:
bonds (distance) C4'-P energy: -88.342
bonds (distance) P-C4' energy: -77.196
flat angles C4'-P-C4' energy: -80.054
flat angles P-C4'-P energy: -50.039
tors. eta vs tors. theta energy: -52.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -480.321018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.321018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.321018 (E_RNA)
where:
Base-Base interactions energy: -160.525
where: short stacking energy: -150.264
Base-Backbone interact. energy: -2.155
local terms energy: -317.640704
where:
bonds (distance) C4'-P energy: -78.410
bonds (distance) P-C4' energy: -93.825
flat angles C4'-P-C4' energy: -92.440
flat angles P-C4'-P energy: -39.071
tors. eta vs tors. theta energy: -13.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -435.738547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.738547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.738547 (E_RNA)
where:
Base-Base interactions energy: -165.240
where: short stacking energy: -142.830
Base-Backbone interact. energy: -0.294
local terms energy: -270.204368
where:
bonds (distance) C4'-P energy: -79.940
bonds (distance) P-C4' energy: -82.429
flat angles C4'-P-C4' energy: -58.753
flat angles P-C4'-P energy: -52.244
tors. eta vs tors. theta energy: 3.161
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: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -414.554487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.554487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.554487 (E_RNA)
where:
Base-Base interactions energy: -159.483
where: short stacking energy: -149.613
Base-Backbone interact. energy: 3.704
local terms energy: -258.775534
where:
bonds (distance) C4'-P energy: -65.959
bonds (distance) P-C4' energy: -81.015
flat angles C4'-P-C4' energy: -55.451
flat angles P-C4'-P energy: -41.950
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -377.708932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.708932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.708932 (E_RNA)
where:
Base-Base interactions energy: -112.085
where: short stacking energy: -102.573
Base-Backbone interact. energy: 0.285
local terms energy: -265.909044
where:
bonds (distance) C4'-P energy: -82.847
bonds (distance) P-C4' energy: -69.114
flat angles C4'-P-C4' energy: -75.286
flat angles P-C4'-P energy: -42.231
tors. eta vs tors. theta energy: 3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -352.310908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.310908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.310908 (E_RNA)
where:
Base-Base interactions energy: -115.026
where: short stacking energy: -112.405
Base-Backbone interact. energy: 0.340
local terms energy: -237.625052
where:
bonds (distance) C4'-P energy: -71.049
bonds (distance) P-C4' energy: -84.453
flat angles C4'-P-C4' energy: -52.228
flat angles P-C4'-P energy: -39.901
tors. eta vs tors. theta energy: 10.005
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: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1264.823996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.823996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.823996 (E_RNA)
where:
Base-Base interactions energy: -741.408
where: short stacking energy: -446.045
Base-Backbone interact. energy: -1.961
local terms energy: -521.455449
where:
bonds (distance) C4'-P energy: -96.889
bonds (distance) P-C4' energy: -93.082
flat angles C4'-P-C4' energy: -109.058
flat angles P-C4'-P energy: -73.622
tors. eta vs tors. theta energy: -148.805
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: 6
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1197.369086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.369086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.369086 (E_RNA)
where:
Base-Base interactions energy: -717.024
where: short stacking energy: -410.707
Base-Backbone interact. energy: 2.305
local terms energy: -482.650122
where:
bonds (distance) C4'-P energy: -93.347
bonds (distance) P-C4' energy: -94.558
flat angles C4'-P-C4' energy: -106.925
flat angles P-C4'-P energy: -69.413
tors. eta vs tors. theta energy: -118.407
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: 10
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -898.604375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.604375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.604375 (E_RNA)
where:
Base-Base interactions energy: -487.801
where: short stacking energy: -301.492
Base-Backbone interact. energy: -0.317
local terms energy: -410.486681
where:
bonds (distance) C4'-P energy: -76.427
bonds (distance) P-C4' energy: -94.272
flat angles C4'-P-C4' energy: -93.334
flat angles P-C4'-P energy: -63.366
tors. eta vs tors. theta energy: -83.087
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: 7
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -833.734032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.734032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.734032 (E_RNA)
where:
Base-Base interactions energy: -428.100
where: short stacking energy: -278.195
Base-Backbone interact. energy: -0.739
local terms energy: -404.895716
where:
bonds (distance) C4'-P energy: -86.632
bonds (distance) P-C4' energy: -93.167
flat angles C4'-P-C4' energy: -91.107
flat angles P-C4'-P energy: -62.438
tors. eta vs tors. theta energy: -71.551
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: 5, replica: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -675.686628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.686628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.686628 (E_RNA)
where:
Base-Base interactions energy: -322.363
where: short stacking energy: -222.177
Base-Backbone interact. energy: -0.507
local terms energy: -352.817273
where:
bonds (distance) C4'-P energy: -72.511
bonds (distance) P-C4' energy: -91.159
flat angles C4'-P-C4' energy: -85.119
flat angles P-C4'-P energy: -59.157
tors. eta vs tors. theta energy: -44.871
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: 6, replica: 5
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -557.180373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.180373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.180373 (E_RNA)
where:
Base-Base interactions energy: -244.301
where: short stacking energy: -205.361
Base-Backbone interact. energy: 0.429
local terms energy: -313.307990
where:
bonds (distance) C4'-P energy: -78.095
bonds (distance) P-C4' energy: -81.386
flat angles C4'-P-C4' energy: -64.677
flat angles P-C4'-P energy: -54.316
tors. eta vs tors. theta energy: -34.834
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: 7, replica: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -452.080632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.080632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.080632 (E_RNA)
where:
Base-Base interactions energy: -157.000
where: short stacking energy: -145.896
Base-Backbone interact. energy: -0.949
local terms energy: -294.131270
where:
bonds (distance) C4'-P energy: -78.489
bonds (distance) P-C4' energy: -72.758
flat angles C4'-P-C4' energy: -74.078
flat angles P-C4'-P energy: -48.325
tors. eta vs tors. theta energy: -20.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -438.757967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.757967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.757967 (E_RNA)
where:
Base-Base interactions energy: -170.203
where: short stacking energy: -132.523
Base-Backbone interact. energy: -3.264
local terms energy: -265.290490
where:
bonds (distance) C4'-P energy: -73.975
bonds (distance) P-C4' energy: -77.922
flat angles C4'-P-C4' energy: -59.375
flat angles P-C4'-P energy: -39.441
tors. eta vs tors. theta energy: -14.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -391.798875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.798875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.798875 (E_RNA)
where:
Base-Base interactions energy: -110.239
where: short stacking energy: -100.598
Base-Backbone interact. energy: 0.456
local terms energy: -282.016484
where:
bonds (distance) C4'-P energy: -84.371
bonds (distance) P-C4' energy: -79.872
flat angles C4'-P-C4' energy: -78.991
flat angles P-C4'-P energy: -33.327
tors. eta vs tors. theta energy: -5.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -376.911172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.911172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.911172 (E_RNA)
where:
Base-Base interactions energy: -112.812
where: short stacking energy: -100.839
Base-Backbone interact. energy: -1.805
local terms energy: -262.294390
where:
bonds (distance) C4'-P energy: -79.045
bonds (distance) P-C4' energy: -89.469
flat angles C4'-P-C4' energy: -68.289
flat angles P-C4'-P energy: -28.894
tors. eta vs tors. theta energy: 3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1288.560883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.560883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.560883 (E_RNA)
where:
Base-Base interactions energy: -785.121
where: short stacking energy: -492.328
Base-Backbone interact. energy: 0.312
local terms energy: -503.751322
where:
bonds (distance) C4'-P energy: -80.055
bonds (distance) P-C4' energy: -98.375
flat angles C4'-P-C4' energy: -106.923
flat angles P-C4'-P energy: -69.790
tors. eta vs tors. theta energy: -148.608
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: 6
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1205.708417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.708417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.708417 (E_RNA)
where:
Base-Base interactions energy: -729.720
where: short stacking energy: -412.299
Base-Backbone interact. energy: -2.267
local terms energy: -473.720967
where:
bonds (distance) C4'-P energy: -88.905
bonds (distance) P-C4' energy: -88.232
flat angles C4'-P-C4' energy: -103.896
flat angles P-C4'-P energy: -60.541
tors. eta vs tors. theta energy: -132.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -928.876893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.876893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.876893 (E_RNA)
where:
Base-Base interactions energy: -496.693
where: short stacking energy: -327.975
Base-Backbone interact. energy: -0.255
local terms energy: -431.928423
where:
bonds (distance) C4'-P energy: -84.294
bonds (distance) P-C4' energy: -98.888
flat angles C4'-P-C4' energy: -88.610
flat angles P-C4'-P energy: -69.688
tors. eta vs tors. theta energy: -90.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -828.428654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.428654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.428654 (E_RNA)
where:
Base-Base interactions energy: -433.111
where: short stacking energy: -264.383
Base-Backbone interact. energy: -0.957
local terms energy: -394.360293
where:
bonds (distance) C4'-P energy: -89.966
bonds (distance) P-C4' energy: -87.057
flat angles C4'-P-C4' energy: -96.611
flat angles P-C4'-P energy: -59.927
tors. eta vs tors. theta energy: -60.799
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: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -688.274008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.274008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.274008 (E_RNA)
where:
Base-Base interactions energy: -322.923
where: short stacking energy: -233.831
Base-Backbone interact. energy: -0.970
local terms energy: -364.380933
where:
bonds (distance) C4'-P energy: -93.366
bonds (distance) P-C4' energy: -87.416
flat angles C4'-P-C4' energy: -83.416
flat angles P-C4'-P energy: -60.290
tors. eta vs tors. theta energy: -39.892
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: 6, replica: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -553.524868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.524868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.524868 (E_RNA)
where:
Base-Base interactions energy: -246.497
where: short stacking energy: -166.982
Base-Backbone interact. energy: -0.919
local terms energy: -306.108781
where:
bonds (distance) C4'-P energy: -88.898
bonds (distance) P-C4' energy: -85.353
flat angles C4'-P-C4' energy: -83.166
flat angles P-C4'-P energy: -35.749
tors. eta vs tors. theta energy: -12.943
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: 3
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -462.174369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.174369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.174369 (E_RNA)
where:
Base-Base interactions energy: -161.146
where: short stacking energy: -123.308
Base-Backbone interact. energy: -1.211
local terms energy: -299.816625
where:
bonds (distance) C4'-P energy: -88.389
bonds (distance) P-C4' energy: -77.135
flat angles C4'-P-C4' energy: -84.844
flat angles P-C4'-P energy: -42.891
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -414.642060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.642060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.642060 (E_RNA)
where:
Base-Base interactions energy: -164.448
where: short stacking energy: -148.890
Base-Backbone interact. energy: 2.347
local terms energy: -252.540990
where:
bonds (distance) C4'-P energy: -64.369
bonds (distance) P-C4' energy: -83.927
flat angles C4'-P-C4' energy: -64.831
flat angles P-C4'-P energy: -34.320
tors. eta vs tors. theta energy: -5.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -377.076367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.076367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.076367 (E_RNA)
where:
Base-Base interactions energy: -127.533
where: short stacking energy: -108.073
Base-Backbone interact. energy: -2.223
local terms energy: -247.320075
where:
bonds (distance) C4'-P energy: -67.847
bonds (distance) P-C4' energy: -82.836
flat angles C4'-P-C4' energy: -77.317
flat angles P-C4'-P energy: -28.784
tors. eta vs tors. theta energy: 9.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -347.275078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.275078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.275078 (E_RNA)
where:
Base-Base interactions energy: -129.426
where: short stacking energy: -93.313
Base-Backbone interact. energy: 0.962
local terms energy: -218.811574
where:
bonds (distance) C4'-P energy: -64.744
bonds (distance) P-C4' energy: -83.200
flat angles C4'-P-C4' energy: -53.758
flat angles P-C4'-P energy: -41.368
tors. eta vs tors. theta energy: 24.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1261.625166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.625166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.625166 (E_RNA)
where:
Base-Base interactions energy: -769.084
where: short stacking energy: -475.993
Base-Backbone interact. energy: -0.092
local terms energy: -492.449375
where:
bonds (distance) C4'-P energy: -92.000
bonds (distance) P-C4' energy: -82.699
flat angles C4'-P-C4' energy: -104.455
flat angles P-C4'-P energy: -66.054
tors. eta vs tors. theta energy: -147.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1185.385057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.385057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.385057 (E_RNA)
where:
Base-Base interactions energy: -728.494
where: short stacking energy: -414.038
Base-Backbone interact. energy: -1.514
local terms energy: -455.377567
where:
bonds (distance) C4'-P energy: -86.943
bonds (distance) P-C4' energy: -91.655
flat angles C4'-P-C4' energy: -105.507
flat angles P-C4'-P energy: -58.685
tors. eta vs tors. theta energy: -112.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -918.449689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.449689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.449689 (E_RNA)
where:
Base-Base interactions energy: -508.931
where: short stacking energy: -302.997
Base-Backbone interact. energy: 0.309
local terms energy: -409.827515
where:
bonds (distance) C4'-P energy: -84.632
bonds (distance) P-C4' energy: -95.400
flat angles C4'-P-C4' energy: -88.292
flat angles P-C4'-P energy: -63.001
tors. eta vs tors. theta energy: -78.502
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: 4, replica: 10
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -816.159039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.159039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.159039 (E_RNA)
where:
Base-Base interactions energy: -472.613
where: short stacking energy: -272.953
Base-Backbone interact. energy: -2.478
local terms energy: -341.068198
where:
bonds (distance) C4'-P energy: -77.477
bonds (distance) P-C4' energy: -79.185
flat angles C4'-P-C4' energy: -77.054
flat angles P-C4'-P energy: -59.005
tors. eta vs tors. theta energy: -48.347
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: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -690.529614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.529614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.529614 (E_RNA)
where:
Base-Base interactions energy: -325.483
where: short stacking energy: -222.084
Base-Backbone interact. energy: 0.414
local terms energy: -365.460702
where:
bonds (distance) C4'-P energy: -82.636
bonds (distance) P-C4' energy: -97.241
flat angles C4'-P-C4' energy: -93.952
flat angles P-C4'-P energy: -48.890
tors. eta vs tors. theta energy: -42.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -568.645620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.645620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.645620 (E_RNA)
where:
Base-Base interactions energy: -248.444
where: short stacking energy: -178.786
Base-Backbone interact. energy: -1.670
local terms energy: -318.531558
where:
bonds (distance) C4'-P energy: -79.848
bonds (distance) P-C4' energy: -88.518
flat angles C4'-P-C4' energy: -84.494
flat angles P-C4'-P energy: -45.608
tors. eta vs tors. theta energy: -20.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -450.627861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.627861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.627861 (E_RNA)
where:
Base-Base interactions energy: -167.493
where: short stacking energy: -154.167
Base-Backbone interact. energy: 1.069
local terms energy: -284.203674
where:
bonds (distance) C4'-P energy: -63.284
bonds (distance) P-C4' energy: -93.554
flat angles C4'-P-C4' energy: -73.413
flat angles P-C4'-P energy: -37.810
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -420.193974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.193974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.193974 (E_RNA)
where:
Base-Base interactions energy: -135.689
where: short stacking energy: -119.143
Base-Backbone interact. energy: 4.479
local terms energy: -288.983357
where:
bonds (distance) C4'-P energy: -68.491
bonds (distance) P-C4' energy: -98.598
flat angles C4'-P-C4' energy: -70.607
flat angles P-C4'-P energy: -42.373
tors. eta vs tors. theta energy: -8.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -385.224239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.224239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.224239 (E_RNA)
where:
Base-Base interactions energy: -142.936
where: short stacking energy: -127.945
Base-Backbone interact. energy: -0.889
local terms energy: -241.399607
where:
bonds (distance) C4'-P energy: -54.345
bonds (distance) P-C4' energy: -71.661
flat angles C4'-P-C4' energy: -55.843
flat angles P-C4'-P energy: -57.693
tors. eta vs tors. theta energy: -1.857
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: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -345.364071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.364071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.364071 (E_RNA)
where:
Base-Base interactions energy: -103.849
where: short stacking energy: -97.584
Base-Backbone interact. energy: -3.060
local terms energy: -238.455310
where:
bonds (distance) C4'-P energy: -68.152
bonds (distance) P-C4' energy: -84.958
flat angles C4'-P-C4' energy: -57.239
flat angles P-C4'-P energy: -40.956
tors. eta vs tors. theta energy: 12.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1298.525421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.525421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.525421 (E_RNA)
where:
Base-Base interactions energy: -794.195
where: short stacking energy: -477.067
Base-Backbone interact. energy: 5.918
local terms energy: -510.248575
where:
bonds (distance) C4'-P energy: -93.708
bonds (distance) P-C4' energy: -86.736
flat angles C4'-P-C4' energy: -112.359
flat angles P-C4'-P energy: -62.922
tors. eta vs tors. theta energy: -154.524
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: 6
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1190.648243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.648243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.648243 (E_RNA)
where:
Base-Base interactions energy: -707.070
where: short stacking energy: -385.979
Base-Backbone interact. energy: -2.169
local terms energy: -481.409667
where:
bonds (distance) C4'-P energy: -79.061
bonds (distance) P-C4' energy: -102.727
flat angles C4'-P-C4' energy: -100.577
flat angles P-C4'-P energy: -79.485
tors. eta vs tors. theta energy: -119.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -913.299072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.299072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.299072 (E_RNA)
where:
Base-Base interactions energy: -518.092
where: short stacking energy: -304.998
Base-Backbone interact. energy: 3.103
local terms energy: -398.310512
where:
bonds (distance) C4'-P energy: -89.836
bonds (distance) P-C4' energy: -82.160
flat angles C4'-P-C4' energy: -93.791
flat angles P-C4'-P energy: -70.948
tors. eta vs tors. theta energy: -61.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -818.425302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.425302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.425302 (E_RNA)
where:
Base-Base interactions energy: -437.786
where: short stacking energy: -284.473
Base-Backbone interact. energy: 0.196
local terms energy: -380.835130
where:
bonds (distance) C4'-P energy: -79.901
bonds (distance) P-C4' energy: -84.839
flat angles C4'-P-C4' energy: -99.769
flat angles P-C4'-P energy: -51.090
tors. eta vs tors. theta energy: -65.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -676.539320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.539320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.539320 (E_RNA)
where:
Base-Base interactions energy: -352.515
where: short stacking energy: -222.632
Base-Backbone interact. energy: -0.066
local terms energy: -323.958666
where:
bonds (distance) C4'-P energy: -83.416
bonds (distance) P-C4' energy: -89.189
flat angles C4'-P-C4' energy: -81.679
flat angles P-C4'-P energy: -37.187
tors. eta vs tors. theta energy: -32.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -600.712345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.712345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.712345 (E_RNA)
where:
Base-Base interactions energy: -279.081
where: short stacking energy: -199.595
Base-Backbone interact. energy: 4.925
local terms energy: -326.556251
where:
bonds (distance) C4'-P energy: -87.534
bonds (distance) P-C4' energy: -96.995
flat angles C4'-P-C4' energy: -72.617
flat angles P-C4'-P energy: -48.524
tors. eta vs tors. theta energy: -20.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -456.268790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.268790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.268790 (E_RNA)
where:
Base-Base interactions energy: -168.032
where: short stacking energy: -138.319
Base-Backbone interact. energy: 0.037
local terms energy: -288.274363
where:
bonds (distance) C4'-P energy: -95.924
bonds (distance) P-C4' energy: -77.126
flat angles C4'-P-C4' energy: -75.736
flat angles P-C4'-P energy: -25.578
tors. eta vs tors. theta energy: -13.911
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: 8, replica: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -418.422972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.422972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.422972 (E_RNA)
where:
Base-Base interactions energy: -139.850
where: short stacking energy: -137.053
Base-Backbone interact. energy: 0.523
local terms energy: -279.096367
where:
bonds (distance) C4'-P energy: -82.525
bonds (distance) P-C4' energy: -83.437
flat angles C4'-P-C4' energy: -67.656
flat angles P-C4'-P energy: -40.971
tors. eta vs tors. theta energy: -4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -377.349564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.349564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.349564 (E_RNA)
where:
Base-Base interactions energy: -121.318
where: short stacking energy: -116.175
Base-Backbone interact. energy: -2.702
local terms energy: -253.329504
where:
bonds (distance) C4'-P energy: -79.086
bonds (distance) P-C4' energy: -78.094
flat angles C4'-P-C4' energy: -63.772
flat angles P-C4'-P energy: -35.159
tors. eta vs tors. theta energy: 2.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -334.183937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.183937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.183937 (E_RNA)
where:
Base-Base interactions energy: -79.510
where: short stacking energy: -74.023
Base-Backbone interact. energy: 0.202
local terms energy: -254.876428
where:
bonds (distance) C4'-P energy: -80.136
bonds (distance) P-C4' energy: -94.379
flat angles C4'-P-C4' energy: -60.055
flat angles P-C4'-P energy: -44.246
tors. eta vs tors. theta energy: 23.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1265.289798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.289798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.289798 (E_RNA)
where:
Base-Base interactions energy: -773.740
where: short stacking energy: -459.981
Base-Backbone interact. energy: 2.965
local terms energy: -494.515725
where:
bonds (distance) C4'-P energy: -86.546
bonds (distance) P-C4' energy: -91.191
flat angles C4'-P-C4' energy: -100.290
flat angles P-C4'-P energy: -69.771
tors. eta vs tors. theta energy: -146.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1173.054896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.054896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.054896 (E_RNA)
where:
Base-Base interactions energy: -692.272
where: short stacking energy: -403.581
Base-Backbone interact. energy: -0.920
local terms energy: -479.863002
where:
bonds (distance) C4'-P energy: -87.785
bonds (distance) P-C4' energy: -99.074
flat angles C4'-P-C4' energy: -98.601
flat angles P-C4'-P energy: -64.165
tors. eta vs tors. theta energy: -130.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -927.551356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.551356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.551356 (E_RNA)
where:
Base-Base interactions energy: -527.400
where: short stacking energy: -310.783
Base-Backbone interact. energy: -1.404
local terms energy: -398.747251
where:
bonds (distance) C4'-P energy: -75.852
bonds (distance) P-C4' energy: -92.617
flat angles C4'-P-C4' energy: -97.190
flat angles P-C4'-P energy: -53.259
tors. eta vs tors. theta energy: -79.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -821.330042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.330042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.330042 (E_RNA)
where:
Base-Base interactions energy: -434.074
where: short stacking energy: -272.967
Base-Backbone interact. energy: -1.596
local terms energy: -385.659632
where:
bonds (distance) C4'-P energy: -77.819
bonds (distance) P-C4' energy: -91.262
flat angles C4'-P-C4' energy: -92.323
flat angles P-C4'-P energy: -57.871
tors. eta vs tors. theta energy: -66.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -652.714634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.714634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.714634 (E_RNA)
where:
Base-Base interactions energy: -323.928
where: short stacking energy: -220.899
Base-Backbone interact. energy: -2.133
local terms energy: -326.653900
where:
bonds (distance) C4'-P energy: -76.700
bonds (distance) P-C4' energy: -82.371
flat angles C4'-P-C4' energy: -82.331
flat angles P-C4'-P energy: -51.772
tors. eta vs tors. theta energy: -33.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -538.717267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.717267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.717267 (E_RNA)
where:
Base-Base interactions energy: -228.581
where: short stacking energy: -172.182
Base-Backbone interact. energy: -0.309
local terms energy: -309.827657
where:
bonds (distance) C4'-P energy: -73.567
bonds (distance) P-C4' energy: -89.195
flat angles C4'-P-C4' energy: -85.045
flat angles P-C4'-P energy: -43.513
tors. eta vs tors. theta energy: -18.508
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: 7, replica: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -519.553265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.553265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.553265 (E_RNA)
where:
Base-Base interactions energy: -254.660
where: short stacking energy: -175.804
Base-Backbone interact. energy: -1.643
local terms energy: -263.250848
where:
bonds (distance) C4'-P energy: -78.342
bonds (distance) P-C4' energy: -79.509
flat angles C4'-P-C4' energy: -74.058
flat angles P-C4'-P energy: -34.442
tors. eta vs tors. theta energy: 3.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -456.512481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.512481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.512481 (E_RNA)
where:
Base-Base interactions energy: -205.031
where: short stacking energy: -144.474
Base-Backbone interact. energy: 0.001
local terms energy: -251.481892
where:
bonds (distance) C4'-P energy: -81.173
bonds (distance) P-C4' energy: -67.101
flat angles C4'-P-C4' energy: -71.643
flat angles P-C4'-P energy: -39.586
tors. eta vs tors. theta energy: 8.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -397.471724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.471724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.471724 (E_RNA)
where:
Base-Base interactions energy: -145.669
where: short stacking energy: -126.401
Base-Backbone interact. energy: -0.916
local terms energy: -250.887154
where:
bonds (distance) C4'-P energy: -64.861
bonds (distance) P-C4' energy: -88.368
flat angles C4'-P-C4' energy: -67.417
flat angles P-C4'-P energy: -36.096
tors. eta vs tors. theta energy: 5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -354.930351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.930351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.930351 (E_RNA)
where:
Base-Base interactions energy: -121.386
where: short stacking energy: -106.761
Base-Backbone interact. energy: -0.901
local terms energy: -232.643001
where:
bonds (distance) C4'-P energy: -87.452
bonds (distance) P-C4' energy: -72.153
flat angles C4'-P-C4' energy: -57.020
flat angles P-C4'-P energy: -30.386
tors. eta vs tors. theta energy: 14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1290.082344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.082344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.082344 (E_RNA)
where:
Base-Base interactions energy: -780.624
where: short stacking energy: -472.079
Base-Backbone interact. energy: 0.220
local terms energy: -509.678601
where:
bonds (distance) C4'-P energy: -95.560
bonds (distance) P-C4' energy: -100.106
flat angles C4'-P-C4' energy: -98.838
flat angles P-C4'-P energy: -62.095
tors. eta vs tors. theta energy: -153.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1175.402743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.402743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.402743 (E_RNA)
where:
Base-Base interactions energy: -680.738
where: short stacking energy: -408.520
Base-Backbone interact. energy: 1.004
local terms energy: -495.669312
where:
bonds (distance) C4'-P energy: -87.303
bonds (distance) P-C4' energy: -102.541
flat angles C4'-P-C4' energy: -107.781
flat angles P-C4'-P energy: -74.900
tors. eta vs tors. theta energy: -123.145
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: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -929.500461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.500461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.500461 (E_RNA)
where:
Base-Base interactions energy: -545.009
where: short stacking energy: -310.471
Base-Backbone interact. energy: 0.979
local terms energy: -385.470361
where:
bonds (distance) C4'-P energy: -81.405
bonds (distance) P-C4' energy: -81.060
flat angles C4'-P-C4' energy: -86.757
flat angles P-C4'-P energy: -52.104
tors. eta vs tors. theta energy: -84.145
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: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -831.590441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.590441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.590441 (E_RNA)
where:
Base-Base interactions energy: -446.089
where: short stacking energy: -287.272
Base-Backbone interact. energy: -2.494
local terms energy: -383.007530
where:
bonds (distance) C4'-P energy: -85.528
bonds (distance) P-C4' energy: -79.950
flat angles C4'-P-C4' energy: -83.839
flat angles P-C4'-P energy: -62.566
tors. eta vs tors. theta energy: -71.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -656.022999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.022999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.022999 (E_RNA)
where:
Base-Base interactions energy: -295.017
where: short stacking energy: -191.609
Base-Backbone interact. energy: -0.704
local terms energy: -360.301487
where:
bonds (distance) C4'-P energy: -81.773
bonds (distance) P-C4' energy: -95.173
flat angles C4'-P-C4' energy: -86.115
flat angles P-C4'-P energy: -54.883
tors. eta vs tors. theta energy: -42.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -563.555135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.555135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.555135 (E_RNA)
where:
Base-Base interactions energy: -232.994
where: short stacking energy: -176.010
Base-Backbone interact. energy: -1.008
local terms energy: -329.553305
where:
bonds (distance) C4'-P energy: -75.362
bonds (distance) P-C4' energy: -103.172
flat angles C4'-P-C4' energy: -86.371
flat angles P-C4'-P energy: -45.524
tors. eta vs tors. theta energy: -19.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -506.017658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.017658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.017658 (E_RNA)
where:
Base-Base interactions energy: -216.148
where: short stacking energy: -155.743
Base-Backbone interact. energy: 1.545
local terms energy: -291.415089
where:
bonds (distance) C4'-P energy: -80.971
bonds (distance) P-C4' energy: -70.631
flat angles C4'-P-C4' energy: -84.888
flat angles P-C4'-P energy: -44.071
tors. eta vs tors. theta energy: -10.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -413.282517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.282517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.282517 (E_RNA)
where:
Base-Base interactions energy: -137.621
where: short stacking energy: -118.245
Base-Backbone interact. energy: 6.969
local terms energy: -282.630474
where:
bonds (distance) C4'-P energy: -84.073
bonds (distance) P-C4' energy: -89.608
flat angles C4'-P-C4' energy: -84.172
flat angles P-C4'-P energy: -31.671
tors. eta vs tors. theta energy: 6.893
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: 1
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -416.285298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.285298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.285298 (E_RNA)
where:
Base-Base interactions energy: -152.792
where: short stacking energy: -124.193
Base-Backbone interact. energy: 1.734
local terms energy: -265.227873
where:
bonds (distance) C4'-P energy: -61.087
bonds (distance) P-C4' energy: -76.953
flat angles C4'-P-C4' energy: -79.046
flat angles P-C4'-P energy: -42.809
tors. eta vs tors. theta energy: -5.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -357.570691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.570691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.570691 (E_RNA)
where:
Base-Base interactions energy: -126.517
where: short stacking energy: -115.809
Base-Backbone interact. energy: 6.667
local terms energy: -237.720659
where:
bonds (distance) C4'-P energy: -78.138
bonds (distance) P-C4' energy: -82.524
flat angles C4'-P-C4' energy: -62.014
flat angles P-C4'-P energy: -29.506
tors. eta vs tors. theta energy: 14.462
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: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1252.811346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.811346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.811346 (E_RNA)
where:
Base-Base interactions energy: -752.184
where: short stacking energy: -448.240
Base-Backbone interact. energy: -1.372
local terms energy: -499.255245
where:
bonds (distance) C4'-P energy: -100.242
bonds (distance) P-C4' energy: -96.510
flat angles C4'-P-C4' energy: -100.420
flat angles P-C4'-P energy: -61.671
tors. eta vs tors. theta energy: -140.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1165.273618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.273618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.273618 (E_RNA)
where:
Base-Base interactions energy: -694.253
where: short stacking energy: -404.918
Base-Backbone interact. energy: -0.515
local terms energy: -470.506367
where:
bonds (distance) C4'-P energy: -95.765
bonds (distance) P-C4' energy: -83.679
flat angles C4'-P-C4' energy: -99.230
flat angles P-C4'-P energy: -67.026
tors. eta vs tors. theta energy: -124.807
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: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -980.857058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.857058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.857058 (E_RNA)
where:
Base-Base interactions energy: -547.191
where: short stacking energy: -331.119
Base-Backbone interact. energy: -0.595
local terms energy: -433.070569
where:
bonds (distance) C4'-P energy: -92.370
bonds (distance) P-C4' energy: -92.083
flat angles C4'-P-C4' energy: -94.680
flat angles P-C4'-P energy: -60.838
tors. eta vs tors. theta energy: -93.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -880.640312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.640312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.640312 (E_RNA)
where:
Base-Base interactions energy: -491.708
where: short stacking energy: -263.890
Base-Backbone interact. energy: -1.322
local terms energy: -387.610589
where:
bonds (distance) C4'-P energy: -78.099
bonds (distance) P-C4' energy: -95.412
flat angles C4'-P-C4' energy: -88.024
flat angles P-C4'-P energy: -60.991
tors. eta vs tors. theta energy: -65.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -655.628050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.628050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.628050 (E_RNA)
where:
Base-Base interactions energy: -312.158
where: short stacking energy: -221.991
Base-Backbone interact. energy: -1.911
local terms energy: -341.559204
where:
bonds (distance) C4'-P energy: -81.025
bonds (distance) P-C4' energy: -76.408
flat angles C4'-P-C4' energy: -91.269
flat angles P-C4'-P energy: -47.428
tors. eta vs tors. theta energy: -45.429
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: 6, replica: 5
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -588.485171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.485171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.485171 (E_RNA)
where:
Base-Base interactions energy: -265.179
where: short stacking energy: -194.738
Base-Backbone interact. energy: -0.040
local terms energy: -323.265590
where:
bonds (distance) C4'-P energy: -88.958
bonds (distance) P-C4' energy: -91.729
flat angles C4'-P-C4' energy: -65.178
flat angles P-C4'-P energy: -53.039
tors. eta vs tors. theta energy: -24.362
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: 370
Temperature: 1.200000
Total energy: -461.517966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.517966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.517966 (E_RNA)
where:
Base-Base interactions energy: -187.821
where: short stacking energy: -158.476
Base-Backbone interact. energy: 3.363
local terms energy: -277.060140
where:
bonds (distance) C4'-P energy: -63.619
bonds (distance) P-C4' energy: -79.553
flat angles C4'-P-C4' energy: -65.043
flat angles P-C4'-P energy: -39.058
tors. eta vs tors. theta energy: -29.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -401.961067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.961067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.961067 (E_RNA)
where:
Base-Base interactions energy: -134.131
where: short stacking energy: -129.373
Base-Backbone interact. energy: -0.356
local terms energy: -267.474716
where:
bonds (distance) C4'-P energy: -87.151
bonds (distance) P-C4' energy: -84.672
flat angles C4'-P-C4' energy: -46.770
flat angles P-C4'-P energy: -57.728
tors. eta vs tors. theta energy: 8.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -383.749509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.749509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.749509 (E_RNA)
where:
Base-Base interactions energy: -136.269
where: short stacking energy: -126.641
Base-Backbone interact. energy: -0.928
local terms energy: -246.552674
where:
bonds (distance) C4'-P energy: -64.651
bonds (distance) P-C4' energy: -75.964
flat angles C4'-P-C4' energy: -67.311
flat angles P-C4'-P energy: -38.170
tors. eta vs tors. theta energy: -0.456
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: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -358.743434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.743434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.743434 (E_RNA)
where:
Base-Base interactions energy: -124.030
where: short stacking energy: -113.080
Base-Backbone interact. energy: -0.754
local terms energy: -233.959756
where:
bonds (distance) C4'-P energy: -70.301
bonds (distance) P-C4' energy: -76.279
flat angles C4'-P-C4' energy: -72.989
flat angles P-C4'-P energy: -18.551
tors. eta vs tors. theta energy: 4.160
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: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1255.181833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.181833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.181833 (E_RNA)
where:
Base-Base interactions energy: -763.387
where: short stacking energy: -443.717
Base-Backbone interact. energy: -0.851
local terms energy: -490.944346
where:
bonds (distance) C4'-P energy: -94.033
bonds (distance) P-C4' energy: -86.129
flat angles C4'-P-C4' energy: -109.171
flat angles P-C4'-P energy: -66.097
tors. eta vs tors. theta energy: -135.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1200.953956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.953956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.953956 (E_RNA)
where:
Base-Base interactions energy: -707.175
where: short stacking energy: -413.622
Base-Backbone interact. energy: 0.883
local terms energy: -494.662636
where:
bonds (distance) C4'-P energy: -90.863
bonds (distance) P-C4' energy: -102.092
flat angles C4'-P-C4' energy: -97.948
flat angles P-C4'-P energy: -68.940
tors. eta vs tors. theta energy: -134.819
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: 371
Temperature: 1.000000
Total energy: -936.278138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.278138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.278138 (E_RNA)
where:
Base-Base interactions energy: -527.566
where: short stacking energy: -312.012
Base-Backbone interact. energy: -1.908
local terms energy: -406.803977
where:
bonds (distance) C4'-P energy: -77.592
bonds (distance) P-C4' energy: -85.587
flat angles C4'-P-C4' energy: -95.725
flat angles P-C4'-P energy: -61.435
tors. eta vs tors. theta energy: -86.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -858.329977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.329977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.329977 (E_RNA)
where:
Base-Base interactions energy: -492.142
where: short stacking energy: -311.643
Base-Backbone interact. energy: 2.166
local terms energy: -368.353993
where:
bonds (distance) C4'-P energy: -87.632
bonds (distance) P-C4' energy: -85.773
flat angles C4'-P-C4' energy: -80.930
flat angles P-C4'-P energy: -45.599
tors. eta vs tors. theta energy: -68.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -720.456336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.456336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.456336 (E_RNA)
where:
Base-Base interactions energy: -350.981
where: short stacking energy: -251.607
Base-Backbone interact. energy: 1.964
local terms energy: -371.439526
where:
bonds (distance) C4'-P energy: -84.756
bonds (distance) P-C4' energy: -86.065
flat angles C4'-P-C4' energy: -86.095
flat angles P-C4'-P energy: -56.907
tors. eta vs tors. theta energy: -57.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -612.182582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.182582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.182582 (E_RNA)
where:
Base-Base interactions energy: -284.777
where: short stacking energy: -210.318
Base-Backbone interact. energy: 3.255
local terms energy: -330.660913
where:
bonds (distance) C4'-P energy: -86.351
bonds (distance) P-C4' energy: -89.919
flat angles C4'-P-C4' energy: -75.928
flat angles P-C4'-P energy: -49.983
tors. eta vs tors. theta energy: -28.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -449.377970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.377970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.377970 (E_RNA)
where:
Base-Base interactions energy: -154.303
where: short stacking energy: -135.012
Base-Backbone interact. energy: 3.048
local terms energy: -298.123152
where:
bonds (distance) C4'-P energy: -82.804
bonds (distance) P-C4' energy: -77.141
flat angles C4'-P-C4' energy: -79.682
flat angles P-C4'-P energy: -52.383
tors. eta vs tors. theta energy: -6.113
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: 8, replica: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -423.702664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.702664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.702664 (E_RNA)
where:
Base-Base interactions energy: -139.261
where: short stacking energy: -123.169
Base-Backbone interact. energy: -2.284
local terms energy: -282.157976
where:
bonds (distance) C4'-P energy: -89.020
bonds (distance) P-C4' energy: -79.693
flat angles C4'-P-C4' energy: -61.057
flat angles P-C4'-P energy: -42.040
tors. eta vs tors. theta energy: -10.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -390.552495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.552495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.552495 (E_RNA)
where:
Base-Base interactions energy: -126.005
where: short stacking energy: -118.000
Base-Backbone interact. energy: -0.708
local terms energy: -263.839667
where:
bonds (distance) C4'-P energy: -66.018
bonds (distance) P-C4' energy: -78.351
flat angles C4'-P-C4' energy: -73.791
flat angles P-C4'-P energy: -39.108
tors. eta vs tors. theta energy: -6.572
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: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -351.160942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.160942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.160942 (E_RNA)
where:
Base-Base interactions energy: -111.517
where: short stacking energy: -78.216
Base-Backbone interact. energy: 1.731
local terms energy: -241.375584
where:
bonds (distance) C4'-P energy: -77.442
bonds (distance) P-C4' energy: -84.329
flat angles C4'-P-C4' energy: -51.979
flat angles P-C4'-P energy: -44.613
tors. eta vs tors. theta energy: 16.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1258.410705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.410705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.410705 (E_RNA)
where:
Base-Base interactions energy: -761.069
where: short stacking energy: -442.529
Base-Backbone interact. energy: -1.262
local terms energy: -496.079952
where:
bonds (distance) C4'-P energy: -89.775
bonds (distance) P-C4' energy: -98.132
flat angles C4'-P-C4' energy: -109.966
flat angles P-C4'-P energy: -64.979
tors. eta vs tors. theta energy: -133.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1186.338669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.338669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.338669 (E_RNA)
where:
Base-Base interactions energy: -710.890
where: short stacking energy: -414.755
Base-Backbone interact. energy: -0.580
local terms energy: -474.868575
where:
bonds (distance) C4'-P energy: -86.515
bonds (distance) P-C4' energy: -103.881
flat angles C4'-P-C4' energy: -100.044
flat angles P-C4'-P energy: -65.904
tors. eta vs tors. theta energy: -118.525
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: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -977.178228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.178228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.178228 (E_RNA)
where:
Base-Base interactions energy: -547.237
where: short stacking energy: -327.372
Base-Backbone interact. energy: -0.804
local terms energy: -429.137767
where:
bonds (distance) C4'-P energy: -86.413
bonds (distance) P-C4' energy: -94.919
flat angles C4'-P-C4' energy: -100.150
flat angles P-C4'-P energy: -60.768
tors. eta vs tors. theta energy: -86.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -832.613004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.613004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.613004 (E_RNA)
where:
Base-Base interactions energy: -454.366
where: short stacking energy: -280.173
Base-Backbone interact. energy: -0.737
local terms energy: -377.510100
where:
bonds (distance) C4'-P energy: -78.620
bonds (distance) P-C4' energy: -104.158
flat angles C4'-P-C4' energy: -88.432
flat angles P-C4'-P energy: -41.192
tors. eta vs tors. theta energy: -65.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -693.495247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.495247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.495247 (E_RNA)
where:
Base-Base interactions energy: -346.368
where: short stacking energy: -225.366
Base-Backbone interact. energy: 1.911
local terms energy: -349.039060
where:
bonds (distance) C4'-P energy: -88.018
bonds (distance) P-C4' energy: -88.771
flat angles C4'-P-C4' energy: -68.116
flat angles P-C4'-P energy: -58.190
tors. eta vs tors. theta energy: -45.944
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: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -599.084931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.084931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.084931 (E_RNA)
where:
Base-Base interactions energy: -272.626
where: short stacking energy: -163.070
Base-Backbone interact. energy: -1.099
local terms energy: -325.359183
where:
bonds (distance) C4'-P energy: -90.731
bonds (distance) P-C4' energy: -82.847
flat angles C4'-P-C4' energy: -77.051
flat angles P-C4'-P energy: -50.835
tors. eta vs tors. theta energy: -23.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -436.194917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.194917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.194917 (E_RNA)
where:
Base-Base interactions energy: -152.095
where: short stacking energy: -140.700
Base-Backbone interact. energy: -0.768
local terms energy: -283.332405
where:
bonds (distance) C4'-P energy: -86.886
bonds (distance) P-C4' energy: -84.038
flat angles C4'-P-C4' energy: -61.650
flat angles P-C4'-P energy: -46.917
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -443.654439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.654439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.654439 (E_RNA)
where:
Base-Base interactions energy: -181.438
where: short stacking energy: -130.033
Base-Backbone interact. energy: -1.286
local terms energy: -260.930844
where:
bonds (distance) C4'-P energy: -68.664
bonds (distance) P-C4' energy: -71.415
flat angles C4'-P-C4' energy: -63.130
flat angles P-C4'-P energy: -50.418
tors. eta vs tors. theta energy: -7.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -371.043486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.043486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.043486 (E_RNA)
where:
Base-Base interactions energy: -125.830
where: short stacking energy: -104.976
Base-Backbone interact. energy: 4.619
local terms energy: -249.831737
where:
bonds (distance) C4'-P energy: -69.884
bonds (distance) P-C4' energy: -75.303
flat angles C4'-P-C4' energy: -77.425
flat angles P-C4'-P energy: -37.467
tors. eta vs tors. theta energy: 10.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -353.077061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.077061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.077061 (E_RNA)
where:
Base-Base interactions energy: -94.457
where: short stacking energy: -90.740
Base-Backbone interact. energy: 0.991
local terms energy: -259.611333
where:
bonds (distance) C4'-P energy: -70.908
bonds (distance) P-C4' energy: -81.598
flat angles C4'-P-C4' energy: -67.579
flat angles P-C4'-P energy: -54.385
tors. eta vs tors. theta energy: 14.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1225.074560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.074560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.074560 (E_RNA)
where:
Base-Base interactions energy: -738.120
where: short stacking energy: -443.457
Base-Backbone interact. energy: -0.492
local terms energy: -486.462791
where:
bonds (distance) C4'-P energy: -93.077
bonds (distance) P-C4' energy: -96.565
flat angles C4'-P-C4' energy: -105.432
flat angles P-C4'-P energy: -59.971
tors. eta vs tors. theta energy: -131.418
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: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1124.470608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.470608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.470608 (E_RNA)
where:
Base-Base interactions energy: -650.022
where: short stacking energy: -394.036
Base-Backbone interact. energy: -1.984
local terms energy: -472.463948
where:
bonds (distance) C4'-P energy: -86.467
bonds (distance) P-C4' energy: -99.903
flat angles C4'-P-C4' energy: -101.393
flat angles P-C4'-P energy: -70.853
tors. eta vs tors. theta energy: -113.847
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: 373
Temperature: 1.000000
Total energy: -965.775014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.775014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.775014 (E_RNA)
where:
Base-Base interactions energy: -550.534
where: short stacking energy: -329.730
Base-Backbone interact. energy: -1.713
local terms energy: -413.527932
where:
bonds (distance) C4'-P energy: -86.014
bonds (distance) P-C4' energy: -88.407
flat angles C4'-P-C4' energy: -87.939
flat angles P-C4'-P energy: -65.541
tors. eta vs tors. theta energy: -85.626
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: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -818.773738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.773738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.773738 (E_RNA)
where:
Base-Base interactions energy: -445.391
where: short stacking energy: -241.335
Base-Backbone interact. energy: 0.347
local terms energy: -373.729305
where:
bonds (distance) C4'-P energy: -80.393
bonds (distance) P-C4' energy: -86.074
flat angles C4'-P-C4' energy: -83.913
flat angles P-C4'-P energy: -60.810
tors. eta vs tors. theta energy: -62.539
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: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -717.290257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.290257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.290257 (E_RNA)
where:
Base-Base interactions energy: -382.779
where: short stacking energy: -252.503
Base-Backbone interact. energy: 0.223
local terms energy: -334.734624
where:
bonds (distance) C4'-P energy: -67.127
bonds (distance) P-C4' energy: -90.336
flat angles C4'-P-C4' energy: -78.933
flat angles P-C4'-P energy: -58.352
tors. eta vs tors. theta energy: -39.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -611.033834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.033834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.033834 (E_RNA)
where:
Base-Base interactions energy: -297.636
where: short stacking energy: -211.496
Base-Backbone interact. energy: -1.939
local terms energy: -311.459140
where:
bonds (distance) C4'-P energy: -76.547
bonds (distance) P-C4' energy: -83.451
flat angles C4'-P-C4' energy: -70.309
flat angles P-C4'-P energy: -44.189
tors. eta vs tors. theta energy: -36.963
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: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -466.527227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.527227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.527227 (E_RNA)
where:
Base-Base interactions energy: -190.735
where: short stacking energy: -129.258
Base-Backbone interact. energy: 1.653
local terms energy: -277.445304
where:
bonds (distance) C4'-P energy: -69.203
bonds (distance) P-C4' energy: -83.504
flat angles C4'-P-C4' energy: -79.302
flat angles P-C4'-P energy: -41.219
tors. eta vs tors. theta energy: -4.217
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: 9
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -424.695346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.695346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.695346 (E_RNA)
where:
Base-Base interactions energy: -128.956
where: short stacking energy: -121.765
Base-Backbone interact. energy: 1.465
local terms energy: -297.203747
where:
bonds (distance) C4'-P energy: -77.993
bonds (distance) P-C4' energy: -89.922
flat angles C4'-P-C4' energy: -77.790
flat angles P-C4'-P energy: -43.203
tors. eta vs tors. theta energy: -8.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -365.673783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.673783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.673783 (E_RNA)
where:
Base-Base interactions energy: -122.885
where: short stacking energy: -111.414
Base-Backbone interact. energy: -1.623
local terms energy: -241.165565
where:
bonds (distance) C4'-P energy: -71.879
bonds (distance) P-C4' energy: -78.820
flat angles C4'-P-C4' energy: -76.610
flat angles P-C4'-P energy: -31.317
tors. eta vs tors. theta energy: 17.460
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: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -347.764533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.764533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.764533 (E_RNA)
where:
Base-Base interactions energy: -102.321
where: short stacking energy: -87.737
Base-Backbone interact. energy: 1.360
local terms energy: -246.804001
where:
bonds (distance) C4'-P energy: -69.961
bonds (distance) P-C4' energy: -84.229
flat angles C4'-P-C4' energy: -73.379
flat angles P-C4'-P energy: -39.752
tors. eta vs tors. theta energy: 20.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1303.938672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.938672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.938672 (E_RNA)
where:
Base-Base interactions energy: -783.107
where: short stacking energy: -464.934
Base-Backbone interact. energy: -1.094
local terms energy: -519.737259
where:
bonds (distance) C4'-P energy: -96.859
bonds (distance) P-C4' energy: -107.613
flat angles C4'-P-C4' energy: -104.237
flat angles P-C4'-P energy: -75.254
tors. eta vs tors. theta energy: -135.775
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: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1165.153641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.153641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.153641 (E_RNA)
where:
Base-Base interactions energy: -689.275
where: short stacking energy: -408.329
Base-Backbone interact. energy: -0.723
local terms energy: -475.155508
where:
bonds (distance) C4'-P energy: -92.475
bonds (distance) P-C4' energy: -84.602
flat angles C4'-P-C4' energy: -98.048
flat angles P-C4'-P energy: -78.363
tors. eta vs tors. theta energy: -121.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -977.230213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.230213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.230213 (E_RNA)
where:
Base-Base interactions energy: -545.831
where: short stacking energy: -309.683
Base-Backbone interact. energy: -2.054
local terms energy: -429.345163
where:
bonds (distance) C4'-P energy: -81.772
bonds (distance) P-C4' energy: -104.890
flat angles C4'-P-C4' energy: -78.855
flat angles P-C4'-P energy: -68.951
tors. eta vs tors. theta energy: -94.877
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: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -847.677573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.677573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.677573 (E_RNA)
where:
Base-Base interactions energy: -463.270
where: short stacking energy: -298.997
Base-Backbone interact. energy: -3.419
local terms energy: -380.988634
where:
bonds (distance) C4'-P energy: -87.098
bonds (distance) P-C4' energy: -86.752
flat angles C4'-P-C4' energy: -88.459
flat angles P-C4'-P energy: -57.576
tors. eta vs tors. theta energy: -61.103
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: 374
Temperature: 1.100000
Total energy: -679.451838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.451838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.451838 (E_RNA)
where:
Base-Base interactions energy: -334.176
where: short stacking energy: -231.500
Base-Backbone interact. energy: -2.629
local terms energy: -342.646894
where:
bonds (distance) C4'-P energy: -85.142
bonds (distance) P-C4' energy: -90.306
flat angles C4'-P-C4' energy: -94.861
flat angles P-C4'-P energy: -26.325
tors. eta vs tors. theta energy: -46.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -573.017314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.017314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.017314 (E_RNA)
where:
Base-Base interactions energy: -253.289
where: short stacking energy: -203.218
Base-Backbone interact. energy: 0.541
local terms energy: -320.269306
where:
bonds (distance) C4'-P energy: -66.680
bonds (distance) P-C4' energy: -94.292
flat angles C4'-P-C4' energy: -67.531
flat angles P-C4'-P energy: -48.555
tors. eta vs tors. theta energy: -43.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -531.758088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.758088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.758088 (E_RNA)
where:
Base-Base interactions energy: -245.708
where: short stacking energy: -151.068
Base-Backbone interact. energy: -2.755
local terms energy: -283.295329
where:
bonds (distance) C4'-P energy: -67.789
bonds (distance) P-C4' energy: -82.064
flat angles C4'-P-C4' energy: -63.141
flat angles P-C4'-P energy: -60.895
tors. eta vs tors. theta energy: -9.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -410.121892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.121892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.121892 (E_RNA)
where:
Base-Base interactions energy: -152.758
where: short stacking energy: -115.513
Base-Backbone interact. energy: -0.747
local terms energy: -256.616121
where:
bonds (distance) C4'-P energy: -79.426
bonds (distance) P-C4' energy: -88.813
flat angles C4'-P-C4' energy: -64.337
flat angles P-C4'-P energy: -38.053
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: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -393.381112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.381112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.381112 (E_RNA)
where:
Base-Base interactions energy: -143.640
where: short stacking energy: -118.919
Base-Backbone interact. energy: -0.431
local terms energy: -249.310474
where:
bonds (distance) C4'-P energy: -71.267
bonds (distance) P-C4' energy: -81.805
flat angles C4'-P-C4' energy: -59.759
flat angles P-C4'-P energy: -48.752
tors. eta vs tors. theta energy: 12.272
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: 374
Temperature: 1.350000
Total energy: -347.331202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.331202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.331202 (E_RNA)
where:
Base-Base interactions energy: -98.736
where: short stacking energy: -79.051
Base-Backbone interact. energy: -3.325
local terms energy: -245.270205
where:
bonds (distance) C4'-P energy: -78.587
bonds (distance) P-C4' energy: -76.204
flat angles C4'-P-C4' energy: -76.382
flat angles P-C4'-P energy: -41.646
tors. eta vs tors. theta energy: 27.548
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: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1276.438915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.438915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.438915 (E_RNA)
where:
Base-Base interactions energy: -767.497
where: short stacking energy: -465.152
Base-Backbone interact. energy: -0.282
local terms energy: -508.659873
where:
bonds (distance) C4'-P energy: -97.932
bonds (distance) P-C4' energy: -100.632
flat angles C4'-P-C4' energy: -94.835
flat angles P-C4'-P energy: -68.064
tors. eta vs tors. theta energy: -147.196
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: 6
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1173.506420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.506420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.506420 (E_RNA)
where:
Base-Base interactions energy: -696.191
where: short stacking energy: -416.265
Base-Backbone interact. energy: -1.164
local terms energy: -476.150569
where:
bonds (distance) C4'-P energy: -92.985
bonds (distance) P-C4' energy: -89.487
flat angles C4'-P-C4' energy: -95.154
flat angles P-C4'-P energy: -67.931
tors. eta vs tors. theta energy: -130.594
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: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -978.781906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.781906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.781906 (E_RNA)
where:
Base-Base interactions energy: -543.999
where: short stacking energy: -323.941
Base-Backbone interact. energy: -2.786
local terms energy: -431.997313
where:
bonds (distance) C4'-P energy: -87.628
bonds (distance) P-C4' energy: -93.492
flat angles C4'-P-C4' energy: -93.562
flat angles P-C4'-P energy: -71.222
tors. eta vs tors. theta energy: -86.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -850.549750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.549750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.549750 (E_RNA)
where:
Base-Base interactions energy: -455.329
where: short stacking energy: -269.487
Base-Backbone interact. energy: -1.003
local terms energy: -394.217370
where:
bonds (distance) C4'-P energy: -75.632
bonds (distance) P-C4' energy: -88.266
flat angles C4'-P-C4' energy: -98.292
flat angles P-C4'-P energy: -61.684
tors. eta vs tors. theta energy: -70.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -709.197358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.197358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.197358 (E_RNA)
where:
Base-Base interactions energy: -373.497
where: short stacking energy: -244.550
Base-Backbone interact. energy: 1.736
local terms energy: -337.436370
where:
bonds (distance) C4'-P energy: -86.351
bonds (distance) P-C4' energy: -84.668
flat angles C4'-P-C4' energy: -89.710
flat angles P-C4'-P energy: -48.645
tors. eta vs tors. theta energy: -28.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -557.370176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.370176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.370176 (E_RNA)
where:
Base-Base interactions energy: -248.263
where: short stacking energy: -169.848
Base-Backbone interact. energy: 2.551
local terms energy: -311.658327
where:
bonds (distance) C4'-P energy: -75.509
bonds (distance) P-C4' energy: -82.232
flat angles C4'-P-C4' energy: -75.771
flat angles P-C4'-P energy: -48.749
tors. eta vs tors. theta energy: -29.398
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: 7, replica: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -498.033499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.033499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.033499 (E_RNA)
where:
Base-Base interactions energy: -204.206
where: short stacking energy: -151.246
Base-Backbone interact. energy: 0.171
local terms energy: -293.998316
where:
bonds (distance) C4'-P energy: -80.479
bonds (distance) P-C4' energy: -91.324
flat angles C4'-P-C4' energy: -73.749
flat angles P-C4'-P energy: -35.095
tors. eta vs tors. theta energy: -13.352
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: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -401.697242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.697242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.697242 (E_RNA)
where:
Base-Base interactions energy: -130.408
where: short stacking energy: -111.288
Base-Backbone interact. energy: -2.275
local terms energy: -269.013877
where:
bonds (distance) C4'-P energy: -78.694
bonds (distance) P-C4' energy: -86.682
flat angles C4'-P-C4' energy: -73.983
flat angles P-C4'-P energy: -48.145
tors. eta vs tors. theta energy: 18.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -368.730340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.730340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.730340 (E_RNA)
where:
Base-Base interactions energy: -113.126
where: short stacking energy: -95.166
Base-Backbone interact. energy: -1.482
local terms energy: -254.122860
where:
bonds (distance) C4'-P energy: -61.006
bonds (distance) P-C4' energy: -85.819
flat angles C4'-P-C4' energy: -68.796
flat angles P-C4'-P energy: -50.146
tors. eta vs tors. theta energy: 11.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -356.051247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.051247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.051247 (E_RNA)
where:
Base-Base interactions energy: -137.046
where: short stacking energy: -105.289
Base-Backbone interact. energy: 0.953
local terms energy: -219.958222
where:
bonds (distance) C4'-P energy: -67.311
bonds (distance) P-C4' energy: -69.547
flat angles C4'-P-C4' energy: -63.994
flat angles P-C4'-P energy: -30.476
tors. eta vs tors. theta energy: 11.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1302.694318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.694318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.694318 (E_RNA)
where:
Base-Base interactions energy: -793.529
where: short stacking energy: -474.937
Base-Backbone interact. energy: -0.393
local terms energy: -508.772211
where:
bonds (distance) C4'-P energy: -75.509
bonds (distance) P-C4' energy: -98.838
flat angles C4'-P-C4' energy: -109.803
flat angles P-C4'-P energy: -78.957
tors. eta vs tors. theta energy: -145.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1166.599713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.599713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.599713 (E_RNA)
where:
Base-Base interactions energy: -683.637
where: short stacking energy: -409.676
Base-Backbone interact. energy: -1.600
local terms energy: -481.362978
where:
bonds (distance) C4'-P energy: -90.494
bonds (distance) P-C4' energy: -86.954
flat angles C4'-P-C4' energy: -106.717
flat angles P-C4'-P energy: -70.357
tors. eta vs tors. theta energy: -126.842
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: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -974.108600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.108600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.108600 (E_RNA)
where:
Base-Base interactions energy: -570.908
where: short stacking energy: -343.465
Base-Backbone interact. energy: -0.693
local terms energy: -402.507505
where:
bonds (distance) C4'-P energy: -83.598
bonds (distance) P-C4' energy: -79.716
flat angles C4'-P-C4' energy: -96.496
flat angles P-C4'-P energy: -52.333
tors. eta vs tors. theta energy: -90.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -849.633525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.633525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.633525 (E_RNA)
where:
Base-Base interactions energy: -466.263
where: short stacking energy: -292.751
Base-Backbone interact. energy: 0.045
local terms energy: -383.415548
where:
bonds (distance) C4'-P energy: -87.812
bonds (distance) P-C4' energy: -91.733
flat angles C4'-P-C4' energy: -85.791
flat angles P-C4'-P energy: -53.430
tors. eta vs tors. theta energy: -64.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -706.049107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.049107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.049107 (E_RNA)
where:
Base-Base interactions energy: -342.455
where: short stacking energy: -231.069
Base-Backbone interact. energy: -1.032
local terms energy: -362.561838
where:
bonds (distance) C4'-P energy: -85.454
bonds (distance) P-C4' energy: -91.021
flat angles C4'-P-C4' energy: -91.134
flat angles P-C4'-P energy: -44.274
tors. eta vs tors. theta energy: -50.680
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: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -518.792115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.792115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.792115 (E_RNA)
where:
Base-Base interactions energy: -221.529
where: short stacking energy: -172.989
Base-Backbone interact. energy: 5.326
local terms energy: -302.589136
where:
bonds (distance) C4'-P energy: -77.388
bonds (distance) P-C4' energy: -90.785
flat angles C4'-P-C4' energy: -84.666
flat angles P-C4'-P energy: -43.429
tors. eta vs tors. theta energy: -6.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -463.842478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.842478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.842478 (E_RNA)
where:
Base-Base interactions energy: -193.496
where: short stacking energy: -156.856
Base-Backbone interact. energy: -0.844
local terms energy: -269.501966
where:
bonds (distance) C4'-P energy: -68.821
bonds (distance) P-C4' energy: -84.850
flat angles C4'-P-C4' energy: -81.226
flat angles P-C4'-P energy: -31.707
tors. eta vs tors. theta energy: -2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -388.920024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.920024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.920024 (E_RNA)
where:
Base-Base interactions energy: -124.704
where: short stacking energy: -108.468
Base-Backbone interact. energy: -1.446
local terms energy: -262.770015
where:
bonds (distance) C4'-P energy: -80.724
bonds (distance) P-C4' energy: -87.026
flat angles C4'-P-C4' energy: -67.528
flat angles P-C4'-P energy: -29.292
tors. eta vs tors. theta energy: 1.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -378.353036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.353036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.353036 (E_RNA)
where:
Base-Base interactions energy: -106.330
where: short stacking energy: -100.444
Base-Backbone interact. energy: -1.119
local terms energy: -270.903948
where:
bonds (distance) C4'-P energy: -86.170
bonds (distance) P-C4' energy: -74.725
flat angles C4'-P-C4' energy: -87.765
flat angles P-C4'-P energy: -27.455
tors. eta vs tors. theta energy: 5.210
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: 376
Temperature: 1.350000
Total energy: -341.743449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.743449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.743449 (E_RNA)
where:
Base-Base interactions energy: -95.451
where: short stacking energy: -78.902
Base-Backbone interact. energy: 1.687
local terms energy: -247.979610
where:
bonds (distance) C4'-P energy: -81.429
bonds (distance) P-C4' energy: -78.123
flat angles C4'-P-C4' energy: -68.659
flat angles P-C4'-P energy: -36.355
tors. eta vs tors. theta energy: 16.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1288.512381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.512381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.512381 (E_RNA)
where:
Base-Base interactions energy: -774.612
where: short stacking energy: -479.876
Base-Backbone interact. energy: -1.023
local terms energy: -512.877270
where:
bonds (distance) C4'-P energy: -90.391
bonds (distance) P-C4' energy: -91.691
flat angles C4'-P-C4' energy: -104.322
flat angles P-C4'-P energy: -78.710
tors. eta vs tors. theta energy: -147.763
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: 2, replica: 6
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1160.699750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.699750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.699750 (E_RNA)
where:
Base-Base interactions energy: -668.989
where: short stacking energy: -410.081
Base-Backbone interact. energy: -0.290
local terms energy: -491.420991
where:
bonds (distance) C4'-P energy: -88.602
bonds (distance) P-C4' energy: -100.558
flat angles C4'-P-C4' energy: -97.836
flat angles P-C4'-P energy: -71.675
tors. eta vs tors. theta energy: -132.750
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: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -968.714365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.714365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.714365 (E_RNA)
where:
Base-Base interactions energy: -555.525
where: short stacking energy: -324.075
Base-Backbone interact. energy: -2.436
local terms energy: -410.753347
where:
bonds (distance) C4'-P energy: -94.556
bonds (distance) P-C4' energy: -87.367
flat angles C4'-P-C4' energy: -84.261
flat angles P-C4'-P energy: -55.776
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: 10
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -822.513782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.513782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.513782 (E_RNA)
where:
Base-Base interactions energy: -437.208
where: short stacking energy: -257.823
Base-Backbone interact. energy: 1.054
local terms energy: -386.359310
where:
bonds (distance) C4'-P energy: -93.159
bonds (distance) P-C4' energy: -87.066
flat angles C4'-P-C4' energy: -83.981
flat angles P-C4'-P energy: -63.183
tors. eta vs tors. theta energy: -58.970
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: 377
Temperature: 1.100000
Total energy: -677.732421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.732421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.732421 (E_RNA)
where:
Base-Base interactions energy: -337.057
where: short stacking energy: -237.108
Base-Backbone interact. energy: 0.710
local terms energy: -341.385548
where:
bonds (distance) C4'-P energy: -81.739
bonds (distance) P-C4' energy: -86.267
flat angles C4'-P-C4' energy: -81.399
flat angles P-C4'-P energy: -55.986
tors. eta vs tors. theta energy: -35.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -508.217528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.217528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.217528 (E_RNA)
where:
Base-Base interactions energy: -205.947
where: short stacking energy: -174.888
Base-Backbone interact. energy: -1.323
local terms energy: -300.948060
where:
bonds (distance) C4'-P energy: -85.114
bonds (distance) P-C4' energy: -95.957
flat angles C4'-P-C4' energy: -65.750
flat angles P-C4'-P energy: -36.706
tors. eta vs tors. theta energy: -17.420
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: 7, replica: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -462.382456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.382456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.382456 (E_RNA)
where:
Base-Base interactions energy: -157.841
where: short stacking energy: -123.250
Base-Backbone interact. energy: -1.507
local terms energy: -303.034583
where:
bonds (distance) C4'-P energy: -74.110
bonds (distance) P-C4' energy: -97.963
flat angles C4'-P-C4' energy: -75.758
flat angles P-C4'-P energy: -49.373
tors. eta vs tors. theta energy: -5.830
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: 8, replica: 3
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -406.532918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.532918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.532918 (E_RNA)
where:
Base-Base interactions energy: -130.041
where: short stacking energy: -108.965
Base-Backbone interact. energy: -0.208
local terms energy: -276.284155
where:
bonds (distance) C4'-P energy: -69.259
bonds (distance) P-C4' energy: -88.392
flat angles C4'-P-C4' energy: -74.460
flat angles P-C4'-P energy: -45.912
tors. eta vs tors. theta energy: 1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -358.445622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.445622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.445622 (E_RNA)
where:
Base-Base interactions energy: -103.759
where: short stacking energy: -87.094
Base-Backbone interact. energy: -1.051
local terms energy: -253.635105
where:
bonds (distance) C4'-P energy: -60.870
bonds (distance) P-C4' energy: -85.099
flat angles C4'-P-C4' energy: -68.307
flat angles P-C4'-P energy: -52.441
tors. eta vs tors. theta energy: 13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -351.014091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.014091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.014091 (E_RNA)
where:
Base-Base interactions energy: -116.192
where: short stacking energy: -105.942
Base-Backbone interact. energy: -0.332
local terms energy: -234.489596
where:
bonds (distance) C4'-P energy: -73.605
bonds (distance) P-C4' energy: -79.128
flat angles C4'-P-C4' energy: -60.989
flat angles P-C4'-P energy: -30.366
tors. eta vs tors. theta energy: 9.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1288.845141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.845141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.845141 (E_RNA)
where:
Base-Base interactions energy: -784.968
where: short stacking energy: -456.965
Base-Backbone interact. energy: -0.999
local terms energy: -502.877846
where:
bonds (distance) C4'-P energy: -84.741
bonds (distance) P-C4' energy: -113.142
flat angles C4'-P-C4' energy: -99.249
flat angles P-C4'-P energy: -62.131
tors. eta vs tors. theta energy: -143.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1151.852902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.852902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.852902 (E_RNA)
where:
Base-Base interactions energy: -678.461
where: short stacking energy: -422.067
Base-Backbone interact. energy: -0.558
local terms energy: -472.834130
where:
bonds (distance) C4'-P energy: -82.799
bonds (distance) P-C4' energy: -90.432
flat angles C4'-P-C4' energy: -100.946
flat angles P-C4'-P energy: -70.129
tors. eta vs tors. theta energy: -128.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -962.120205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.120205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.120205 (E_RNA)
where:
Base-Base interactions energy: -540.084
where: short stacking energy: -339.575
Base-Backbone interact. energy: -0.601
local terms energy: -421.435823
where:
bonds (distance) C4'-P energy: -87.580
bonds (distance) P-C4' energy: -79.313
flat angles C4'-P-C4' energy: -93.381
flat angles P-C4'-P energy: -72.462
tors. eta vs tors. theta energy: -88.699
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: 10
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -805.714962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.714962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.714962 (E_RNA)
where:
Base-Base interactions energy: -450.061
where: short stacking energy: -264.565
Base-Backbone interact. energy: -0.845
local terms energy: -354.808819
where:
bonds (distance) C4'-P energy: -78.672
bonds (distance) P-C4' energy: -85.224
flat angles C4'-P-C4' energy: -77.770
flat angles P-C4'-P energy: -60.252
tors. eta vs tors. theta energy: -52.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -661.595974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.595974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.595974 (E_RNA)
where:
Base-Base interactions energy: -316.563
where: short stacking energy: -220.570
Base-Backbone interact. energy: -0.396
local terms energy: -344.636584
where:
bonds (distance) C4'-P energy: -85.836
bonds (distance) P-C4' energy: -92.851
flat angles C4'-P-C4' energy: -89.690
flat angles P-C4'-P energy: -41.210
tors. eta vs tors. theta energy: -35.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -490.029538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.029538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.029538 (E_RNA)
where:
Base-Base interactions energy: -176.973
where: short stacking energy: -144.814
Base-Backbone interact. energy: -0.973
local terms energy: -312.083852
where:
bonds (distance) C4'-P energy: -87.491
bonds (distance) P-C4' energy: -75.599
flat angles C4'-P-C4' energy: -84.551
flat angles P-C4'-P energy: -47.446
tors. eta vs tors. theta energy: -16.997
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: 378
Temperature: 1.200000
Total energy: -458.996687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.996687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.996687 (E_RNA)
where:
Base-Base interactions energy: -164.455
where: short stacking energy: -153.759
Base-Backbone interact. energy: 4.014
local terms energy: -298.555853
where:
bonds (distance) C4'-P energy: -83.410
bonds (distance) P-C4' energy: -92.290
flat angles C4'-P-C4' energy: -64.471
flat angles P-C4'-P energy: -39.554
tors. eta vs tors. theta energy: -18.830
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: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -432.784060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.784060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.784060 (E_RNA)
where:
Base-Base interactions energy: -152.913
where: short stacking energy: -105.739
Base-Backbone interact. energy: 0.214
local terms energy: -280.084496
where:
bonds (distance) C4'-P energy: -74.590
bonds (distance) P-C4' energy: -92.608
flat angles C4'-P-C4' energy: -67.963
flat angles P-C4'-P energy: -42.538
tors. eta vs tors. theta energy: -2.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -395.186387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.186387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.186387 (E_RNA)
where:
Base-Base interactions energy: -130.026
where: short stacking energy: -117.191
Base-Backbone interact. energy: 2.611
local terms energy: -267.771307
where:
bonds (distance) C4'-P energy: -75.484
bonds (distance) P-C4' energy: -84.637
flat angles C4'-P-C4' energy: -66.001
flat angles P-C4'-P energy: -38.736
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -335.375224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.375224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.375224 (E_RNA)
where:
Base-Base interactions energy: -90.573
where: short stacking energy: -81.934
Base-Backbone interact. energy: -1.446
local terms energy: -243.356046
where:
bonds (distance) C4'-P energy: -75.777
bonds (distance) P-C4' energy: -86.223
flat angles C4'-P-C4' energy: -61.489
flat angles P-C4'-P energy: -35.706
tors. eta vs tors. theta energy: 15.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1299.750643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.750643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.750643 (E_RNA)
where:
Base-Base interactions energy: -783.065
where: short stacking energy: -479.541
Base-Backbone interact. energy: -1.099
local terms energy: -515.587048
where:
bonds (distance) C4'-P energy: -90.071
bonds (distance) P-C4' energy: -88.988
flat angles C4'-P-C4' energy: -113.001
flat angles P-C4'-P energy: -72.091
tors. eta vs tors. theta energy: -151.436
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: 6
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1164.598624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.598624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.598624 (E_RNA)
where:
Base-Base interactions energy: -686.859
where: short stacking energy: -405.262
Base-Backbone interact. energy: -0.912
local terms energy: -476.827546
where:
bonds (distance) C4'-P energy: -94.215
bonds (distance) P-C4' energy: -83.178
flat angles C4'-P-C4' energy: -105.529
flat angles P-C4'-P energy: -71.614
tors. eta vs tors. theta energy: -122.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -964.425774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.425774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.425774 (E_RNA)
where:
Base-Base interactions energy: -553.875
where: short stacking energy: -321.706
Base-Backbone interact. energy: 0.157
local terms energy: -410.707822
where:
bonds (distance) C4'-P energy: -98.818
bonds (distance) P-C4' energy: -80.252
flat angles C4'-P-C4' energy: -88.076
flat angles P-C4'-P energy: -57.728
tors. eta vs tors. theta energy: -85.833
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: 4, replica: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -783.000302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.000302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.000302 (E_RNA)
where:
Base-Base interactions energy: -405.815
where: short stacking energy: -261.858
Base-Backbone interact. energy: -0.934
local terms energy: -376.251478
where:
bonds (distance) C4'-P energy: -79.255
bonds (distance) P-C4' energy: -95.250
flat angles C4'-P-C4' energy: -83.577
flat angles P-C4'-P energy: -58.724
tors. eta vs tors. theta energy: -59.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -741.715204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.715204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.715204 (E_RNA)
where:
Base-Base interactions energy: -373.153
where: short stacking energy: -226.282
Base-Backbone interact. energy: -0.817
local terms energy: -367.745533
where:
bonds (distance) C4'-P energy: -91.415
bonds (distance) P-C4' energy: -92.859
flat angles C4'-P-C4' energy: -80.859
flat angles P-C4'-P energy: -60.282
tors. eta vs tors. theta energy: -42.330
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: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -478.087539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.087539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.087539 (E_RNA)
where:
Base-Base interactions energy: -158.801
where: short stacking energy: -152.994
Base-Backbone interact. energy: 3.519
local terms energy: -322.805654
where:
bonds (distance) C4'-P energy: -83.546
bonds (distance) P-C4' energy: -85.218
flat angles C4'-P-C4' energy: -81.707
flat angles P-C4'-P energy: -55.909
tors. eta vs tors. theta energy: -16.426
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: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -435.078103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.078103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.078103 (E_RNA)
where:
Base-Base interactions energy: -168.920
where: short stacking energy: -132.183
Base-Backbone interact. energy: -2.260
local terms energy: -263.898408
where:
bonds (distance) C4'-P energy: -70.303
bonds (distance) P-C4' energy: -74.614
flat angles C4'-P-C4' energy: -81.909
flat angles P-C4'-P energy: -40.774
tors. eta vs tors. theta energy: 3.701
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: 379
Temperature: 1.250000
Total energy: -421.463657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.463657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.463657 (E_RNA)
where:
Base-Base interactions energy: -157.518
where: short stacking energy: -133.111
Base-Backbone interact. energy: -0.465
local terms energy: -263.480912
where:
bonds (distance) C4'-P energy: -84.183
bonds (distance) P-C4' energy: -77.299
flat angles C4'-P-C4' energy: -59.315
flat angles P-C4'-P energy: -50.864
tors. eta vs tors. theta energy: 8.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -392.623203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.623203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.623203 (E_RNA)
where:
Base-Base interactions energy: -126.986
where: short stacking energy: -113.426
Base-Backbone interact. energy: 5.201
local terms energy: -270.838118
where:
bonds (distance) C4'-P energy: -85.655
bonds (distance) P-C4' energy: -82.202
flat angles C4'-P-C4' energy: -60.577
flat angles P-C4'-P energy: -42.999
tors. eta vs tors. theta energy: 0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -333.814479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.814479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.814479 (E_RNA)
where:
Base-Base interactions energy: -93.295
where: short stacking energy: -85.815
Base-Backbone interact. energy: 1.484
local terms energy: -242.003612
where:
bonds (distance) C4'-P energy: -79.387
bonds (distance) P-C4' energy: -78.915
flat angles C4'-P-C4' energy: -69.381
flat angles P-C4'-P energy: -44.041
tors. eta vs tors. theta energy: 29.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1275.287461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.287461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.287461 (E_RNA)
where:
Base-Base interactions energy: -764.218
where: short stacking energy: -457.167
Base-Backbone interact. energy: -0.764
local terms energy: -510.305510
where:
bonds (distance) C4'-P energy: -90.528
bonds (distance) P-C4' energy: -97.916
flat angles C4'-P-C4' energy: -107.501
flat angles P-C4'-P energy: -73.688
tors. eta vs tors. theta energy: -140.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1156.720578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.720578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.720578 (E_RNA)
where:
Base-Base interactions energy: -669.516
where: short stacking energy: -386.240
Base-Backbone interact. energy: -0.479
local terms energy: -486.725181
where:
bonds (distance) C4'-P energy: -99.744
bonds (distance) P-C4' energy: -97.967
flat angles C4'-P-C4' energy: -105.008
flat angles P-C4'-P energy: -70.745
tors. eta vs tors. theta energy: -113.261
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: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -969.773263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.773263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.773263 (E_RNA)
where:
Base-Base interactions energy: -548.583
where: short stacking energy: -349.096
Base-Backbone interact. energy: 0.220
local terms energy: -421.410794
where:
bonds (distance) C4'-P energy: -75.426
bonds (distance) P-C4' energy: -96.140
flat angles C4'-P-C4' energy: -82.314
flat angles P-C4'-P energy: -70.916
tors. eta vs tors. theta energy: -96.614
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: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -804.994781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.994781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.994781 (E_RNA)
where:
Base-Base interactions energy: -410.465
where: short stacking energy: -275.100
Base-Backbone interact. energy: -2.573
local terms energy: -391.957586
where:
bonds (distance) C4'-P energy: -92.528
bonds (distance) P-C4' energy: -76.991
flat angles C4'-P-C4' energy: -99.449
flat angles P-C4'-P energy: -66.538
tors. eta vs tors. theta energy: -56.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -795.668773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.668773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.668773 (E_RNA)
where:
Base-Base interactions energy: -426.068
where: short stacking energy: -252.597
Base-Backbone interact. energy: -1.387
local terms energy: -368.213969
where:
bonds (distance) C4'-P energy: -77.207
bonds (distance) P-C4' energy: -84.850
flat angles C4'-P-C4' energy: -85.076
flat angles P-C4'-P energy: -60.440
tors. eta vs tors. theta energy: -60.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -499.309853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.309853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.309853 (E_RNA)
where:
Base-Base interactions energy: -177.520
where: short stacking energy: -161.100
Base-Backbone interact. energy: -1.137
local terms energy: -320.652211
where:
bonds (distance) C4'-P energy: -76.838
bonds (distance) P-C4' energy: -80.324
flat angles C4'-P-C4' energy: -86.155
flat angles P-C4'-P energy: -52.946
tors. eta vs tors. theta energy: -24.389
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: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -452.300750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.300750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.300750 (E_RNA)
where:
Base-Base interactions energy: -160.837
where: short stacking energy: -145.720
Base-Backbone interact. energy: -0.007
local terms energy: -291.456952
where:
bonds (distance) C4'-P energy: -87.617
bonds (distance) P-C4' energy: -82.407
flat angles C4'-P-C4' energy: -55.768
flat angles P-C4'-P energy: -51.105
tors. eta vs tors. theta energy: -14.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -399.713036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.713036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.713036 (E_RNA)
where:
Base-Base interactions energy: -151.368
where: short stacking energy: -115.444
Base-Backbone interact. energy: -2.112
local terms energy: -246.233241
where:
bonds (distance) C4'-P energy: -77.358
bonds (distance) P-C4' energy: -82.539
flat angles C4'-P-C4' energy: -47.348
flat angles P-C4'-P energy: -37.897
tors. eta vs tors. theta energy: -1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -375.529534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.529534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.529534 (E_RNA)
where:
Base-Base interactions energy: -117.687
where: short stacking energy: -105.927
Base-Backbone interact. energy: 3.460
local terms energy: -261.302437
where:
bonds (distance) C4'-P energy: -68.875
bonds (distance) P-C4' energy: -102.743
flat angles C4'-P-C4' energy: -62.590
flat angles P-C4'-P energy: -33.939
tors. eta vs tors. theta energy: 6.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -360.309865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.309865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.309865 (E_RNA)
where:
Base-Base interactions energy: -112.959
where: short stacking energy: -102.033
Base-Backbone interact. energy: -0.269
local terms energy: -247.081956
where:
bonds (distance) C4'-P energy: -75.235
bonds (distance) P-C4' energy: -91.099
flat angles C4'-P-C4' energy: -57.119
flat angles P-C4'-P energy: -29.351
tors. eta vs tors. theta energy: 5.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1296.537756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.537756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.537756 (E_RNA)
where:
Base-Base interactions energy: -789.607
where: short stacking energy: -468.836
Base-Backbone interact. energy: 0.713
local terms energy: -507.643583
where:
bonds (distance) C4'-P energy: -85.019
bonds (distance) P-C4' energy: -104.863
flat angles C4'-P-C4' energy: -99.018
flat angles P-C4'-P energy: -73.691
tors. eta vs tors. theta energy: -145.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1162.386919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.386919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.386919 (E_RNA)
where:
Base-Base interactions energy: -701.478
where: short stacking energy: -412.516
Base-Backbone interact. energy: -0.138
local terms energy: -460.771296
where:
bonds (distance) C4'-P energy: -87.778
bonds (distance) P-C4' energy: -86.130
flat angles C4'-P-C4' energy: -102.163
flat angles P-C4'-P energy: -63.525
tors. eta vs tors. theta energy: -121.175
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: 381
Temperature: 1.000000
Total energy: -959.871406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.871406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.871406 (E_RNA)
where:
Base-Base interactions energy: -538.636
where: short stacking energy: -323.255
Base-Backbone interact. energy: -1.298
local terms energy: -419.937731
where:
bonds (distance) C4'-P energy: -78.177
bonds (distance) P-C4' energy: -94.800
flat angles C4'-P-C4' energy: -87.217
flat angles P-C4'-P energy: -65.331
tors. eta vs tors. theta energy: -94.413
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: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -809.291765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.291765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.291765 (E_RNA)
where:
Base-Base interactions energy: -420.177
where: short stacking energy: -233.811
Base-Backbone interact. energy: -3.123
local terms energy: -385.991865
where:
bonds (distance) C4'-P energy: -92.155
bonds (distance) P-C4' energy: -101.865
flat angles C4'-P-C4' energy: -89.191
flat angles P-C4'-P energy: -52.536
tors. eta vs tors. theta energy: -50.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -767.925412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.925412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.925412 (E_RNA)
where:
Base-Base interactions energy: -414.822
where: short stacking energy: -266.511
Base-Backbone interact. energy: 0.170
local terms energy: -353.273352
where:
bonds (distance) C4'-P energy: -76.065
bonds (distance) P-C4' energy: -87.395
flat angles C4'-P-C4' energy: -73.600
flat angles P-C4'-P energy: -56.241
tors. eta vs tors. theta energy: -59.972
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: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -482.442192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.442192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.442192 (E_RNA)
where:
Base-Base interactions energy: -180.031
where: short stacking energy: -176.024
Base-Backbone interact. energy: 3.685
local terms energy: -306.096452
where:
bonds (distance) C4'-P energy: -82.662
bonds (distance) P-C4' energy: -96.706
flat angles C4'-P-C4' energy: -67.352
flat angles P-C4'-P energy: -50.499
tors. eta vs tors. theta energy: -8.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -459.296781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.296781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.296781 (E_RNA)
where:
Base-Base interactions energy: -166.426
where: short stacking energy: -143.714
Base-Backbone interact. energy: 1.393
local terms energy: -294.263674
where:
bonds (distance) C4'-P energy: -75.713
bonds (distance) P-C4' energy: -85.924
flat angles C4'-P-C4' energy: -84.431
flat angles P-C4'-P energy: -33.917
tors. eta vs tors. theta energy: -14.278
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: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -449.792531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.792531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.792531 (E_RNA)
where:
Base-Base interactions energy: -150.188
where: short stacking energy: -138.721
Base-Backbone interact. energy: -1.075
local terms energy: -298.529566
where:
bonds (distance) C4'-P energy: -92.181
bonds (distance) P-C4' energy: -84.076
flat angles C4'-P-C4' energy: -77.925
flat angles P-C4'-P energy: -32.979
tors. eta vs tors. theta energy: -11.369
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: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -402.599306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.599306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.599306 (E_RNA)
where:
Base-Base interactions energy: -161.635
where: short stacking energy: -115.795
Base-Backbone interact. energy: 0.265
local terms energy: -241.229166
where:
bonds (distance) C4'-P energy: -72.382
bonds (distance) P-C4' energy: -78.650
flat angles C4'-P-C4' energy: -55.307
flat angles P-C4'-P energy: -34.757
tors. eta vs tors. theta energy: -0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -328.836560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.836560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.836560 (E_RNA)
where:
Base-Base interactions energy: -105.085
where: short stacking energy: -87.174
Base-Backbone interact. energy: 5.498
local terms energy: -229.249244
where:
bonds (distance) C4'-P energy: -82.099
bonds (distance) P-C4' energy: -71.205
flat angles C4'-P-C4' energy: -56.894
flat angles P-C4'-P energy: -44.245
tors. eta vs tors. theta energy: 25.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1295.861065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.861065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.861065 (E_RNA)
where:
Base-Base interactions energy: -788.153
where: short stacking energy: -481.998
Base-Backbone interact. energy: -1.288
local terms energy: -506.419987
where:
bonds (distance) C4'-P energy: -97.570
bonds (distance) P-C4' energy: -83.722
flat angles C4'-P-C4' energy: -102.918
flat angles P-C4'-P energy: -73.343
tors. eta vs tors. theta energy: -148.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1190.841037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.841037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.841037 (E_RNA)
where:
Base-Base interactions energy: -706.953
where: short stacking energy: -421.413
Base-Backbone interact. energy: -1.743
local terms energy: -482.145617
where:
bonds (distance) C4'-P energy: -89.296
bonds (distance) P-C4' energy: -92.899
flat angles C4'-P-C4' energy: -92.945
flat angles P-C4'-P energy: -65.587
tors. eta vs tors. theta energy: -141.418
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: 382
Temperature: 1.000000
Total energy: -960.134418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.134418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.134418 (E_RNA)
where:
Base-Base interactions energy: -543.719
where: short stacking energy: -351.324
Base-Backbone interact. energy: -1.186
local terms energy: -415.230071
where:
bonds (distance) C4'-P energy: -78.016
bonds (distance) P-C4' energy: -97.484
flat angles C4'-P-C4' energy: -84.228
flat angles P-C4'-P energy: -50.864
tors. eta vs tors. theta energy: -104.637
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: 4, replica: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -814.589801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.589801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.589801 (E_RNA)
where:
Base-Base interactions energy: -432.554
where: short stacking energy: -258.656
Base-Backbone interact. energy: 1.266
local terms energy: -383.301286
where:
bonds (distance) C4'-P energy: -81.301
bonds (distance) P-C4' energy: -103.234
flat angles C4'-P-C4' energy: -89.481
flat angles P-C4'-P energy: -58.611
tors. eta vs tors. theta energy: -50.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -748.785336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.785336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.785336 (E_RNA)
where:
Base-Base interactions energy: -371.990
where: short stacking energy: -228.501
Base-Backbone interact. energy: 1.948
local terms energy: -378.743992
where:
bonds (distance) C4'-P energy: -81.277
bonds (distance) P-C4' energy: -99.341
flat angles C4'-P-C4' energy: -96.441
flat angles P-C4'-P energy: -56.048
tors. eta vs tors. theta energy: -45.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -487.437595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.437595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.437595 (E_RNA)
where:
Base-Base interactions energy: -189.386
where: short stacking energy: -159.254
Base-Backbone interact. energy: 0.806
local terms energy: -298.858071
where:
bonds (distance) C4'-P energy: -84.011
bonds (distance) P-C4' energy: -75.174
flat angles C4'-P-C4' energy: -71.579
flat angles P-C4'-P energy: -45.742
tors. eta vs tors. theta energy: -22.352
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: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -457.178993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.178993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.178993 (E_RNA)
where:
Base-Base interactions energy: -144.352
where: short stacking energy: -134.317
Base-Backbone interact. energy: 2.423
local terms energy: -315.249984
where:
bonds (distance) C4'-P energy: -83.208
bonds (distance) P-C4' energy: -90.513
flat angles C4'-P-C4' energy: -86.349
flat angles P-C4'-P energy: -50.253
tors. eta vs tors. theta energy: -4.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -398.370338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.370338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.370338 (E_RNA)
where:
Base-Base interactions energy: -141.845
where: short stacking energy: -122.775
Base-Backbone interact. energy: -0.332
local terms energy: -256.193612
where:
bonds (distance) C4'-P energy: -72.411
bonds (distance) P-C4' energy: -79.596
flat angles C4'-P-C4' energy: -69.970
flat angles P-C4'-P energy: -44.817
tors. eta vs tors. theta energy: 10.600
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: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -381.844092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.844092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.844092 (E_RNA)
where:
Base-Base interactions energy: -141.007
where: short stacking energy: -110.553
Base-Backbone interact. energy: 0.327
local terms energy: -241.163563
where:
bonds (distance) C4'-P energy: -70.760
bonds (distance) P-C4' energy: -83.103
flat angles C4'-P-C4' energy: -54.889
flat angles P-C4'-P energy: -37.498
tors. eta vs tors. theta energy: 5.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -368.739616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.739616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.739616 (E_RNA)
where:
Base-Base interactions energy: -138.438
where: short stacking energy: -111.644
Base-Backbone interact. energy: 0.324
local terms energy: -230.624993
where:
bonds (distance) C4'-P energy: -78.213
bonds (distance) P-C4' energy: -80.275
flat angles C4'-P-C4' energy: -55.221
flat angles P-C4'-P energy: -43.634
tors. eta vs tors. theta energy: 26.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1278.300786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.300786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.300786 (E_RNA)
where:
Base-Base interactions energy: -783.399
where: short stacking energy: -456.856
Base-Backbone interact. energy: -1.254
local terms energy: -493.648398
where:
bonds (distance) C4'-P energy: -88.139
bonds (distance) P-C4' energy: -85.046
flat angles C4'-P-C4' energy: -97.133
flat angles P-C4'-P energy: -75.548
tors. eta vs tors. theta energy: -147.783
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: 2, replica: 6
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1169.716533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.716533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.716533 (E_RNA)
where:
Base-Base interactions energy: -689.423
where: short stacking energy: -433.018
Base-Backbone interact. energy: -0.973
local terms energy: -479.321177
where:
bonds (distance) C4'-P energy: -87.909
bonds (distance) P-C4' energy: -93.557
flat angles C4'-P-C4' energy: -104.852
flat angles P-C4'-P energy: -65.599
tors. eta vs tors. theta energy: -127.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -887.416075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.416075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.416075 (E_RNA)
where:
Base-Base interactions energy: -479.219
where: short stacking energy: -302.834
Base-Backbone interact. energy: -1.616
local terms energy: -406.581252
where:
bonds (distance) C4'-P energy: -87.923
bonds (distance) P-C4' energy: -92.042
flat angles C4'-P-C4' energy: -90.904
flat angles P-C4'-P energy: -60.486
tors. eta vs tors. theta energy: -75.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -786.521283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.521283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.521283 (E_RNA)
where:
Base-Base interactions energy: -399.084
where: short stacking energy: -245.875
Base-Backbone interact. energy: 0.998
local terms energy: -388.434679
where:
bonds (distance) C4'-P energy: -93.233
bonds (distance) P-C4' energy: -84.686
flat angles C4'-P-C4' energy: -92.422
flat angles P-C4'-P energy: -59.274
tors. eta vs tors. theta energy: -58.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -730.268831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.268831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.268831 (E_RNA)
where:
Base-Base interactions energy: -386.618
where: short stacking energy: -232.707
Base-Backbone interact. energy: -0.184
local terms energy: -343.466606
where:
bonds (distance) C4'-P energy: -87.447
bonds (distance) P-C4' energy: -92.465
flat angles C4'-P-C4' energy: -80.052
flat angles P-C4'-P energy: -53.917
tors. eta vs tors. theta energy: -29.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -485.226951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.226951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.226951 (E_RNA)
where:
Base-Base interactions energy: -155.352
where: short stacking energy: -138.418
Base-Backbone interact. energy: -1.225
local terms energy: -328.650163
where:
bonds (distance) C4'-P energy: -85.715
bonds (distance) P-C4' energy: -83.729
flat angles C4'-P-C4' energy: -82.847
flat angles P-C4'-P energy: -57.819
tors. eta vs tors. theta energy: -18.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -433.185485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.185485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.185485 (E_RNA)
where:
Base-Base interactions energy: -154.700
where: short stacking energy: -109.340
Base-Backbone interact. energy: -1.124
local terms energy: -277.362156
where:
bonds (distance) C4'-P energy: -69.188
bonds (distance) P-C4' energy: -88.148
flat angles C4'-P-C4' energy: -73.254
flat angles P-C4'-P energy: -51.107
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: 8, replica: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -417.006688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.006688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.006688 (E_RNA)
where:
Base-Base interactions energy: -157.916
where: short stacking energy: -132.493
Base-Backbone interact. energy: 2.114
local terms energy: -261.204915
where:
bonds (distance) C4'-P energy: -66.730
bonds (distance) P-C4' energy: -82.366
flat angles C4'-P-C4' energy: -75.892
flat angles P-C4'-P energy: -29.788
tors. eta vs tors. theta energy: -6.429
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: 9, replica: 3
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -391.428879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.428879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.428879 (E_RNA)
where:
Base-Base interactions energy: -133.001
where: short stacking energy: -92.098
Base-Backbone interact. energy: 2.168
local terms energy: -260.595996
where:
bonds (distance) C4'-P energy: -67.969
bonds (distance) P-C4' energy: -83.544
flat angles C4'-P-C4' energy: -73.507
flat angles P-C4'-P energy: -46.064
tors. eta vs tors. theta energy: 10.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -338.533934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.533934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.533934 (E_RNA)
where:
Base-Base interactions energy: -103.136
where: short stacking energy: -89.316
Base-Backbone interact. energy: -1.248
local terms energy: -234.149814
where:
bonds (distance) C4'-P energy: -60.804
bonds (distance) P-C4' energy: -89.613
flat angles C4'-P-C4' energy: -54.492
flat angles P-C4'-P energy: -40.858
tors. eta vs tors. theta energy: 11.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1272.293811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.293811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.293811 (E_RNA)
where:
Base-Base interactions energy: -758.943
where: short stacking energy: -445.078
Base-Backbone interact. energy: 0.419
local terms energy: -513.770162
where:
bonds (distance) C4'-P energy: -93.770
bonds (distance) P-C4' energy: -99.941
flat angles C4'-P-C4' energy: -102.711
flat angles P-C4'-P energy: -73.654
tors. eta vs tors. theta energy: -143.693
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: 6
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1182.566278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.566278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.566278 (E_RNA)
where:
Base-Base interactions energy: -711.963
where: short stacking energy: -431.213
Base-Backbone interact. energy: -0.599
local terms energy: -470.005189
where:
bonds (distance) C4'-P energy: -82.986
bonds (distance) P-C4' energy: -93.243
flat angles C4'-P-C4' energy: -101.300
flat angles P-C4'-P energy: -64.270
tors. eta vs tors. theta energy: -128.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -917.625476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.625476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.625476 (E_RNA)
where:
Base-Base interactions energy: -496.539
where: short stacking energy: -302.636
Base-Backbone interact. energy: -0.601
local terms energy: -420.484765
where:
bonds (distance) C4'-P energy: -96.866
bonds (distance) P-C4' energy: -94.439
flat angles C4'-P-C4' energy: -89.468
flat angles P-C4'-P energy: -57.602
tors. eta vs tors. theta energy: -82.110
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: 10
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -846.981457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.981457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.981457 (E_RNA)
where:
Base-Base interactions energy: -446.096
where: short stacking energy: -249.305
Base-Backbone interact. energy: -1.730
local terms energy: -399.155138
where:
bonds (distance) C4'-P energy: -86.624
bonds (distance) P-C4' energy: -89.433
flat angles C4'-P-C4' energy: -94.811
flat angles P-C4'-P energy: -63.582
tors. eta vs tors. theta energy: -64.705
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: 5
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -761.730797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.730797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.730797 (E_RNA)
where:
Base-Base interactions energy: -405.386
where: short stacking energy: -258.519
Base-Backbone interact. energy: -2.947
local terms energy: -353.397660
where:
bonds (distance) C4'-P energy: -79.212
bonds (distance) P-C4' energy: -88.033
flat angles C4'-P-C4' energy: -63.371
flat angles P-C4'-P energy: -54.741
tors. eta vs tors. theta energy: -68.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -491.630233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.630233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.630233 (E_RNA)
where:
Base-Base interactions energy: -199.885
where: short stacking energy: -171.716
Base-Backbone interact. energy: 0.374
local terms energy: -292.119478
where:
bonds (distance) C4'-P energy: -69.040
bonds (distance) P-C4' energy: -79.960
flat angles C4'-P-C4' energy: -81.279
flat angles P-C4'-P energy: -46.582
tors. eta vs tors. theta energy: -15.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -449.607687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.607687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.607687 (E_RNA)
where:
Base-Base interactions energy: -174.118
where: short stacking energy: -152.538
Base-Backbone interact. energy: 6.496
local terms energy: -281.985902
where:
bonds (distance) C4'-P energy: -80.869
bonds (distance) P-C4' energy: -74.287
flat angles C4'-P-C4' energy: -67.582
flat angles P-C4'-P energy: -40.098
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -392.738054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.738054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.738054 (E_RNA)
where:
Base-Base interactions energy: -107.543
where: short stacking energy: -103.820
Base-Backbone interact. energy: 1.970
local terms energy: -287.164688
where:
bonds (distance) C4'-P energy: -79.132
bonds (distance) P-C4' energy: -80.251
flat angles C4'-P-C4' energy: -67.581
flat angles P-C4'-P energy: -50.931
tors. eta vs tors. theta energy: -9.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -377.233425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.233425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.233425 (E_RNA)
where:
Base-Base interactions energy: -125.383
where: short stacking energy: -111.984
Base-Backbone interact. energy: -2.090
local terms energy: -249.759986
where:
bonds (distance) C4'-P energy: -76.719
bonds (distance) P-C4' energy: -90.739
flat angles C4'-P-C4' energy: -66.139
flat angles P-C4'-P energy: -28.383
tors. eta vs tors. theta energy: 12.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -368.019508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.019508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.019508 (E_RNA)
where:
Base-Base interactions energy: -129.214
where: short stacking energy: -114.986
Base-Backbone interact. energy: 0.035
local terms energy: -238.840821
where:
bonds (distance) C4'-P energy: -70.138
bonds (distance) P-C4' energy: -76.632
flat angles C4'-P-C4' energy: -60.132
flat angles P-C4'-P energy: -43.795
tors. eta vs tors. theta energy: 11.856
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: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1267.204209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.204209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.204209 (E_RNA)
where:
Base-Base interactions energy: -753.924
where: short stacking energy: -445.987
Base-Backbone interact. energy: 0.395
local terms energy: -513.674871
where:
bonds (distance) C4'-P energy: -93.601
bonds (distance) P-C4' energy: -87.093
flat angles C4'-P-C4' energy: -113.335
flat angles P-C4'-P energy: -73.367
tors. eta vs tors. theta energy: -146.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1147.568591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.568591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.568591 (E_RNA)
where:
Base-Base interactions energy: -668.556
where: short stacking energy: -404.267
Base-Backbone interact. energy: -2.076
local terms energy: -476.936747
where:
bonds (distance) C4'-P energy: -96.327
bonds (distance) P-C4' energy: -96.303
flat angles C4'-P-C4' energy: -99.935
flat angles P-C4'-P energy: -62.560
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: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -940.724248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.724248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.724248 (E_RNA)
where:
Base-Base interactions energy: -511.344
where: short stacking energy: -306.966
Base-Backbone interact. energy: 1.078
local terms energy: -430.458200
where:
bonds (distance) C4'-P energy: -81.999
bonds (distance) P-C4' energy: -102.806
flat angles C4'-P-C4' energy: -98.430
flat angles P-C4'-P energy: -70.733
tors. eta vs tors. theta energy: -76.489
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: 4, replica: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -848.804428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.804428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.804428 (E_RNA)
where:
Base-Base interactions energy: -448.960
where: short stacking energy: -274.634
Base-Backbone interact. energy: 1.081
local terms energy: -400.925071
where:
bonds (distance) C4'-P energy: -85.162
bonds (distance) P-C4' energy: -90.243
flat angles C4'-P-C4' energy: -98.886
flat angles P-C4'-P energy: -58.285
tors. eta vs tors. theta energy: -68.349
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: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -704.324569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.324569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.324569 (E_RNA)
where:
Base-Base interactions energy: -358.311
where: short stacking energy: -221.592
Base-Backbone interact. energy: 0.418
local terms energy: -346.432393
where:
bonds (distance) C4'-P energy: -88.448
bonds (distance) P-C4' energy: -91.138
flat angles C4'-P-C4' energy: -80.223
flat angles P-C4'-P energy: -48.257
tors. eta vs tors. theta energy: -38.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -499.541222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.541222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.541222 (E_RNA)
where:
Base-Base interactions energy: -185.205
where: short stacking energy: -165.568
Base-Backbone interact. energy: -0.827
local terms energy: -313.509236
where:
bonds (distance) C4'-P energy: -90.960
bonds (distance) P-C4' energy: -81.161
flat angles C4'-P-C4' energy: -80.671
flat angles P-C4'-P energy: -47.968
tors. eta vs tors. theta energy: -12.750
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: 385
Temperature: 1.200000
Total energy: -429.636997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.636997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.636997 (E_RNA)
where:
Base-Base interactions energy: -148.535
where: short stacking energy: -128.708
Base-Backbone interact. energy: -1.833
local terms energy: -279.269079
where:
bonds (distance) C4'-P energy: -78.614
bonds (distance) P-C4' energy: -93.870
flat angles C4'-P-C4' energy: -80.190
flat angles P-C4'-P energy: -33.709
tors. eta vs tors. theta energy: 7.113
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: 8, replica: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -415.065698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.065698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.065698 (E_RNA)
where:
Base-Base interactions energy: -138.045
where: short stacking energy: -106.959
Base-Backbone interact. energy: -0.948
local terms energy: -276.071954
where:
bonds (distance) C4'-P energy: -68.293
bonds (distance) P-C4' energy: -85.435
flat angles C4'-P-C4' energy: -71.517
flat angles P-C4'-P energy: -58.709
tors. eta vs tors. theta energy: 7.882
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: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -391.403607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.403607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.403607 (E_RNA)
where:
Base-Base interactions energy: -136.926
where: short stacking energy: -115.718
Base-Backbone interact. energy: 6.666
local terms energy: -261.144021
where:
bonds (distance) C4'-P energy: -74.911
bonds (distance) P-C4' energy: -71.113
flat angles C4'-P-C4' energy: -78.706
flat angles P-C4'-P energy: -37.726
tors. eta vs tors. theta energy: 1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -347.692563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.692563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.692563 (E_RNA)
where:
Base-Base interactions energy: -99.986
where: short stacking energy: -77.933
Base-Backbone interact. energy: -1.612
local terms energy: -246.095016
where:
bonds (distance) C4'-P energy: -74.797
bonds (distance) P-C4' energy: -81.986
flat angles C4'-P-C4' energy: -59.442
flat angles P-C4'-P energy: -40.605
tors. eta vs tors. theta energy: 10.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1263.643942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.643942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.643942 (E_RNA)
where:
Base-Base interactions energy: -755.757
where: short stacking energy: -455.922
Base-Backbone interact. energy: 1.428
local terms energy: -509.314362
where:
bonds (distance) C4'-P energy: -92.496
bonds (distance) P-C4' energy: -94.961
flat angles C4'-P-C4' energy: -102.811
flat angles P-C4'-P energy: -73.982
tors. eta vs tors. theta energy: -145.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1154.574275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.574275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.574275 (E_RNA)
where:
Base-Base interactions energy: -679.176
where: short stacking energy: -398.638
Base-Backbone interact. energy: -0.910
local terms energy: -474.487624
where:
bonds (distance) C4'-P energy: -90.158
bonds (distance) P-C4' energy: -92.706
flat angles C4'-P-C4' energy: -104.663
flat angles P-C4'-P energy: -68.360
tors. eta vs tors. theta energy: -118.600
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: 386
Temperature: 1.000000
Total energy: -915.096449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.096449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.096449 (E_RNA)
where:
Base-Base interactions energy: -503.215
where: short stacking energy: -306.273
Base-Backbone interact. energy: -1.145
local terms energy: -410.735871
where:
bonds (distance) C4'-P energy: -87.486
bonds (distance) P-C4' energy: -90.581
flat angles C4'-P-C4' energy: -90.254
flat angles P-C4'-P energy: -58.090
tors. eta vs tors. theta energy: -84.324
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: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -841.796672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.796672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.796672 (E_RNA)
where:
Base-Base interactions energy: -460.203
where: short stacking energy: -279.852
Base-Backbone interact. energy: 1.938
local terms energy: -383.530980
where:
bonds (distance) C4'-P energy: -81.337
bonds (distance) P-C4' energy: -97.210
flat angles C4'-P-C4' energy: -83.918
flat angles P-C4'-P energy: -57.075
tors. eta vs tors. theta energy: -63.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -733.006810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.006810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.006810 (E_RNA)
where:
Base-Base interactions energy: -381.568
where: short stacking energy: -235.873
Base-Backbone interact. energy: 3.471
local terms energy: -354.910624
where:
bonds (distance) C4'-P energy: -84.585
bonds (distance) P-C4' energy: -83.217
flat angles C4'-P-C4' energy: -89.780
flat angles P-C4'-P energy: -50.360
tors. eta vs tors. theta energy: -46.969
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: 4
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -509.864105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.864105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.864105 (E_RNA)
where:
Base-Base interactions energy: -206.915
where: short stacking energy: -145.519
Base-Backbone interact. energy: -1.813
local terms energy: -301.136208
where:
bonds (distance) C4'-P energy: -84.549
bonds (distance) P-C4' energy: -87.165
flat angles C4'-P-C4' energy: -79.857
flat angles P-C4'-P energy: -57.447
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: 7, replica: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -436.536945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.536945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.536945 (E_RNA)
where:
Base-Base interactions energy: -138.345
where: short stacking energy: -114.936
Base-Backbone interact. energy: -2.188
local terms energy: -296.003140
where:
bonds (distance) C4'-P energy: -89.546
bonds (distance) P-C4' energy: -93.217
flat angles C4'-P-C4' energy: -71.158
flat angles P-C4'-P energy: -51.827
tors. eta vs tors. theta energy: 9.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -404.309415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.309415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.309415 (E_RNA)
where:
Base-Base interactions energy: -135.832
where: short stacking energy: -123.885
Base-Backbone interact. energy: 0.799
local terms energy: -269.277079
where:
bonds (distance) C4'-P energy: -69.951
bonds (distance) P-C4' energy: -86.697
flat angles C4'-P-C4' energy: -73.393
flat angles P-C4'-P energy: -36.843
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -401.794086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.794086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.794086 (E_RNA)
where:
Base-Base interactions energy: -130.888
where: short stacking energy: -126.133
Base-Backbone interact. energy: 0.537
local terms energy: -271.442692
where:
bonds (distance) C4'-P energy: -87.485
bonds (distance) P-C4' energy: -84.357
flat angles C4'-P-C4' energy: -54.344
flat angles P-C4'-P energy: -50.377
tors. eta vs tors. theta energy: 5.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -334.435164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.435164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.435164 (E_RNA)
where:
Base-Base interactions energy: -80.109
where: short stacking energy: -57.435
Base-Backbone interact. energy: -2.186
local terms energy: -252.139771
where:
bonds (distance) C4'-P energy: -87.547
bonds (distance) P-C4' energy: -80.347
flat angles C4'-P-C4' energy: -57.584
flat angles P-C4'-P energy: -51.222
tors. eta vs tors. theta energy: 24.561
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: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1240.494235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.494235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.494235 (E_RNA)
where:
Base-Base interactions energy: -731.699
where: short stacking energy: -449.410
Base-Backbone interact. energy: -0.655
local terms energy: -508.140214
where:
bonds (distance) C4'-P energy: -85.518
bonds (distance) P-C4' energy: -95.914
flat angles C4'-P-C4' energy: -110.079
flat angles P-C4'-P energy: -74.086
tors. eta vs tors. theta energy: -142.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1131.759887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.759887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.759887 (E_RNA)
where:
Base-Base interactions energy: -667.843
where: short stacking energy: -398.278
Base-Backbone interact. energy: -1.523
local terms energy: -462.393440
where:
bonds (distance) C4'-P energy: -86.015
bonds (distance) P-C4' energy: -83.642
flat angles C4'-P-C4' energy: -99.729
flat angles P-C4'-P energy: -71.456
tors. eta vs tors. theta energy: -121.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -930.793812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.793812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.793812 (E_RNA)
where:
Base-Base interactions energy: -531.003
where: short stacking energy: -294.586
Base-Backbone interact. energy: 0.046
local terms energy: -399.837251
where:
bonds (distance) C4'-P energy: -74.342
bonds (distance) P-C4' energy: -76.766
flat angles C4'-P-C4' energy: -98.748
flat angles P-C4'-P energy: -63.413
tors. eta vs tors. theta energy: -86.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -816.320105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.320105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.320105 (E_RNA)
where:
Base-Base interactions energy: -429.877
where: short stacking energy: -286.712
Base-Backbone interact. energy: -0.849
local terms energy: -385.594931
where:
bonds (distance) C4'-P energy: -88.865
bonds (distance) P-C4' energy: -84.855
flat angles C4'-P-C4' energy: -96.215
flat angles P-C4'-P energy: -49.944
tors. eta vs tors. theta energy: -65.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -715.241301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.241301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.241301 (E_RNA)
where:
Base-Base interactions energy: -383.892
where: short stacking energy: -244.622
Base-Backbone interact. energy: 2.373
local terms energy: -333.722169
where:
bonds (distance) C4'-P energy: -92.278
bonds (distance) P-C4' energy: -77.850
flat angles C4'-P-C4' energy: -76.654
flat angles P-C4'-P energy: -48.827
tors. eta vs tors. theta energy: -38.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -613.842543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.842543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.842543 (E_RNA)
where:
Base-Base interactions energy: -276.553
where: short stacking energy: -205.160
Base-Backbone interact. energy: -0.492
local terms energy: -336.797419
where:
bonds (distance) C4'-P energy: -78.533
bonds (distance) P-C4' energy: -84.927
flat angles C4'-P-C4' energy: -78.877
flat angles P-C4'-P energy: -47.693
tors. eta vs tors. theta energy: -46.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -455.614586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.614586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.614586 (E_RNA)
where:
Base-Base interactions energy: -203.426
where: short stacking energy: -149.652
Base-Backbone interact. energy: 1.265
local terms energy: -253.453106
where:
bonds (distance) C4'-P energy: -70.050
bonds (distance) P-C4' energy: -63.566
flat angles C4'-P-C4' energy: -76.368
flat angles P-C4'-P energy: -39.458
tors. eta vs tors. theta energy: -4.010
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: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -412.053462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.053462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.053462 (E_RNA)
where:
Base-Base interactions energy: -139.743
where: short stacking energy: -125.386
Base-Backbone interact. energy: -3.324
local terms energy: -268.985873
where:
bonds (distance) C4'-P energy: -64.808
bonds (distance) P-C4' energy: -82.621
flat angles C4'-P-C4' energy: -64.097
flat angles P-C4'-P energy: -61.768
tors. eta vs tors. theta energy: 4.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -373.781386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.781386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.781386 (E_RNA)
where:
Base-Base interactions energy: -112.094
where: short stacking energy: -105.778
Base-Backbone interact. energy: 3.178
local terms energy: -264.865486
where:
bonds (distance) C4'-P energy: -75.388
bonds (distance) P-C4' energy: -76.853
flat angles C4'-P-C4' energy: -66.481
flat angles P-C4'-P energy: -38.885
tors. eta vs tors. theta energy: -7.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -351.686728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.686728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.686728 (E_RNA)
where:
Base-Base interactions energy: -114.943
where: short stacking energy: -102.560
Base-Backbone interact. energy: 0.589
local terms energy: -237.332091
where:
bonds (distance) C4'-P energy: -73.326
bonds (distance) P-C4' energy: -77.635
flat angles C4'-P-C4' energy: -50.423
flat angles P-C4'-P energy: -40.166
tors. eta vs tors. theta energy: 4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1236.699528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.699528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.699528 (E_RNA)
where:
Base-Base interactions energy: -728.043
where: short stacking energy: -447.738
Base-Backbone interact. energy: -1.033
local terms energy: -507.623716
where:
bonds (distance) C4'-P energy: -87.040
bonds (distance) P-C4' energy: -105.348
flat angles C4'-P-C4' energy: -100.889
flat angles P-C4'-P energy: -72.827
tors. eta vs tors. theta energy: -141.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1119.224298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.224298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.224298 (E_RNA)
where:
Base-Base interactions energy: -635.660
where: short stacking energy: -390.131
Base-Backbone interact. energy: -0.083
local terms energy: -483.481402
where:
bonds (distance) C4'-P energy: -95.274
bonds (distance) P-C4' energy: -101.410
flat angles C4'-P-C4' energy: -106.296
flat angles P-C4'-P energy: -63.394
tors. eta vs tors. theta energy: -117.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -940.961682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.961682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.961682 (E_RNA)
where:
Base-Base interactions energy: -545.160
where: short stacking energy: -329.403
Base-Backbone interact. energy: -1.397
local terms energy: -394.404780
where:
bonds (distance) C4'-P energy: -83.985
bonds (distance) P-C4' energy: -81.004
flat angles C4'-P-C4' energy: -99.151
flat angles P-C4'-P energy: -49.742
tors. eta vs tors. theta energy: -80.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -826.347301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.347301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.347301 (E_RNA)
where:
Base-Base interactions energy: -461.435
where: short stacking energy: -266.916
Base-Backbone interact. energy: 0.633
local terms energy: -365.545274
where:
bonds (distance) C4'-P energy: -80.220
bonds (distance) P-C4' energy: -86.343
flat angles C4'-P-C4' energy: -82.919
flat angles P-C4'-P energy: -49.015
tors. eta vs tors. theta energy: -67.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -732.022304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.022304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.022304 (E_RNA)
where:
Base-Base interactions energy: -382.895
where: short stacking energy: -235.518
Base-Backbone interact. energy: -1.094
local terms energy: -348.032983
where:
bonds (distance) C4'-P energy: -80.036
bonds (distance) P-C4' energy: -82.910
flat angles C4'-P-C4' energy: -87.120
flat angles P-C4'-P energy: -49.422
tors. eta vs tors. theta energy: -48.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -569.478829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.478829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.478829 (E_RNA)
where:
Base-Base interactions energy: -226.509
where: short stacking energy: -172.021
Base-Backbone interact. energy: 2.352
local terms energy: -345.321916
where:
bonds (distance) C4'-P energy: -88.251
bonds (distance) P-C4' energy: -90.906
flat angles C4'-P-C4' energy: -80.171
flat angles P-C4'-P energy: -57.207
tors. eta vs tors. theta energy: -28.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -468.598990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.598990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.598990 (E_RNA)
where:
Base-Base interactions energy: -175.441
where: short stacking energy: -156.484
Base-Backbone interact. energy: 0.063
local terms energy: -293.220976
where:
bonds (distance) C4'-P energy: -83.246
bonds (distance) P-C4' energy: -86.945
flat angles C4'-P-C4' energy: -60.867
flat angles P-C4'-P energy: -50.626
tors. eta vs tors. theta energy: -11.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -413.630927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.630927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.630927 (E_RNA)
where:
Base-Base interactions energy: -133.691
where: short stacking energy: -92.831
Base-Backbone interact. energy: -2.369
local terms energy: -277.571328
where:
bonds (distance) C4'-P energy: -84.566
bonds (distance) P-C4' energy: -94.141
flat angles C4'-P-C4' energy: -66.342
flat angles P-C4'-P energy: -38.753
tors. eta vs tors. theta energy: 6.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -391.607686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.607686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.607686 (E_RNA)
where:
Base-Base interactions energy: -121.339
where: short stacking energy: -101.744
Base-Backbone interact. energy: -1.911
local terms energy: -268.358008
where:
bonds (distance) C4'-P energy: -80.922
bonds (distance) P-C4' energy: -76.792
flat angles C4'-P-C4' energy: -69.744
flat angles P-C4'-P energy: -46.384
tors. eta vs tors. theta energy: 5.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -365.380300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.380300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.380300 (E_RNA)
where:
Base-Base interactions energy: -139.394
where: short stacking energy: -96.574
Base-Backbone interact. energy: 3.835
local terms energy: -229.820959
where:
bonds (distance) C4'-P energy: -71.271
bonds (distance) P-C4' energy: -86.943
flat angles C4'-P-C4' energy: -57.795
flat angles P-C4'-P energy: -23.169
tors. eta vs tors. theta energy: 9.356
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: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1200.308378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.308378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.308378 (E_RNA)
where:
Base-Base interactions energy: -722.324
where: short stacking energy: -436.297
Base-Backbone interact. energy: -0.060
local terms energy: -477.924243
where:
bonds (distance) C4'-P energy: -94.757
bonds (distance) P-C4' energy: -91.385
flat angles C4'-P-C4' energy: -98.752
flat angles P-C4'-P energy: -63.103
tors. eta vs tors. theta energy: -129.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1169.636933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.636933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.636933 (E_RNA)
where:
Base-Base interactions energy: -696.073
where: short stacking energy: -429.919
Base-Backbone interact. energy: 0.042
local terms energy: -473.605911
where:
bonds (distance) C4'-P energy: -92.036
bonds (distance) P-C4' energy: -86.933
flat angles C4'-P-C4' energy: -95.689
flat angles P-C4'-P energy: -62.431
tors. eta vs tors. theta energy: -136.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -914.729212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.729212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.729212 (E_RNA)
where:
Base-Base interactions energy: -515.852
where: short stacking energy: -296.221
Base-Backbone interact. energy: -1.198
local terms energy: -397.678709
where:
bonds (distance) C4'-P energy: -94.890
bonds (distance) P-C4' energy: -88.152
flat angles C4'-P-C4' energy: -99.697
flat angles P-C4'-P energy: -49.739
tors. eta vs tors. theta energy: -65.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -892.744076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.744076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.744076 (E_RNA)
where:
Base-Base interactions energy: -482.686
where: short stacking energy: -303.587
Base-Backbone interact. energy: 1.002
local terms energy: -411.060641
where:
bonds (distance) C4'-P energy: -87.487
bonds (distance) P-C4' energy: -93.819
flat angles C4'-P-C4' energy: -93.641
flat angles P-C4'-P energy: -54.562
tors. eta vs tors. theta energy: -81.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -775.766538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.766538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.766538 (E_RNA)
where:
Base-Base interactions energy: -413.635
where: short stacking energy: -245.000
Base-Backbone interact. energy: -0.326
local terms energy: -361.805320
where:
bonds (distance) C4'-P energy: -85.968
bonds (distance) P-C4' energy: -95.391
flat angles C4'-P-C4' energy: -81.108
flat angles P-C4'-P energy: -41.390
tors. eta vs tors. theta energy: -57.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -542.897057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.897057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.897057 (E_RNA)
where:
Base-Base interactions energy: -234.790
where: short stacking energy: -176.016
Base-Backbone interact. energy: -1.217
local terms energy: -306.889388
where:
bonds (distance) C4'-P energy: -77.858
bonds (distance) P-C4' energy: -80.137
flat angles C4'-P-C4' energy: -70.236
flat angles P-C4'-P energy: -50.701
tors. eta vs tors. theta energy: -27.957
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: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -480.358260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.358260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.358260 (E_RNA)
where:
Base-Base interactions energy: -159.807
where: short stacking energy: -158.157
Base-Backbone interact. energy: -0.797
local terms energy: -319.754892
where:
bonds (distance) C4'-P energy: -89.873
bonds (distance) P-C4' energy: -88.593
flat angles C4'-P-C4' energy: -64.138
flat angles P-C4'-P energy: -45.674
tors. eta vs tors. theta energy: -31.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -416.739742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.739742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.739742 (E_RNA)
where:
Base-Base interactions energy: -140.365
where: short stacking energy: -122.181
Base-Backbone interact. energy: 2.098
local terms energy: -278.472220
where:
bonds (distance) C4'-P energy: -79.963
bonds (distance) P-C4' energy: -81.457
flat angles C4'-P-C4' energy: -74.453
flat angles P-C4'-P energy: -35.764
tors. eta vs tors. theta energy: -6.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -401.468432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.468432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.468432 (E_RNA)
where:
Base-Base interactions energy: -143.700
where: short stacking energy: -118.076
Base-Backbone interact. energy: -2.078
local terms energy: -255.690436
where:
bonds (distance) C4'-P energy: -78.822
bonds (distance) P-C4' energy: -83.992
flat angles C4'-P-C4' energy: -60.774
flat angles P-C4'-P energy: -38.483
tors. eta vs tors. theta energy: 6.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -359.352200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.352200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.352200 (E_RNA)
where:
Base-Base interactions energy: -131.707
where: short stacking energy: -94.932
Base-Backbone interact. energy: -3.068
local terms energy: -224.576982
where:
bonds (distance) C4'-P energy: -71.754
bonds (distance) P-C4' energy: -77.803
flat angles C4'-P-C4' energy: -70.680
flat angles P-C4'-P energy: -24.103
tors. eta vs tors. theta energy: 19.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1212.425007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.425007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.425007 (E_RNA)
where:
Base-Base interactions energy: -704.843
where: short stacking energy: -444.915
Base-Backbone interact. energy: -1.064
local terms energy: -506.518011
where:
bonds (distance) C4'-P energy: -99.806
bonds (distance) P-C4' energy: -101.136
flat angles C4'-P-C4' energy: -107.406
flat angles P-C4'-P energy: -65.597
tors. eta vs tors. theta energy: -132.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1118.922625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.922625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.922625 (E_RNA)
where:
Base-Base interactions energy: -654.264
where: short stacking energy: -375.481
Base-Backbone interact. energy: 2.571
local terms energy: -467.229592
where:
bonds (distance) C4'-P energy: -88.567
bonds (distance) P-C4' energy: -96.724
flat angles C4'-P-C4' energy: -104.401
flat angles P-C4'-P energy: -71.627
tors. eta vs tors. theta energy: -105.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -900.873308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.873308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.873308 (E_RNA)
where:
Base-Base interactions energy: -518.134
where: short stacking energy: -292.396
Base-Backbone interact. energy: -1.932
local terms energy: -380.807039
where:
bonds (distance) C4'-P energy: -79.515
bonds (distance) P-C4' energy: -87.660
flat angles C4'-P-C4' energy: -89.730
flat angles P-C4'-P energy: -52.968
tors. eta vs tors. theta energy: -70.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -885.969578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.969578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.969578 (E_RNA)
where:
Base-Base interactions energy: -485.006
where: short stacking energy: -292.064
Base-Backbone interact. energy: -1.988
local terms energy: -398.975597
where:
bonds (distance) C4'-P energy: -86.278
bonds (distance) P-C4' energy: -92.167
flat angles C4'-P-C4' energy: -96.826
flat angles P-C4'-P energy: -45.809
tors. eta vs tors. theta energy: -77.895
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: 390
Temperature: 1.100000
Total energy: -757.853952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.853952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.853952 (E_RNA)
where:
Base-Base interactions energy: -405.026
where: short stacking energy: -230.664
Base-Backbone interact. energy: 0.801
local terms energy: -353.629245
where:
bonds (distance) C4'-P energy: -80.966
bonds (distance) P-C4' energy: -94.252
flat angles C4'-P-C4' energy: -71.222
flat angles P-C4'-P energy: -61.847
tors. eta vs tors. theta energy: -45.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -582.051634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.051634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.051634 (E_RNA)
where:
Base-Base interactions energy: -246.760
where: short stacking energy: -162.390
Base-Backbone interact. energy: -1.620
local terms energy: -333.672169
where:
bonds (distance) C4'-P energy: -87.586
bonds (distance) P-C4' energy: -88.773
flat angles C4'-P-C4' energy: -94.003
flat angles P-C4'-P energy: -47.186
tors. eta vs tors. theta energy: -16.123
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: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -454.357100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.357100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.357100 (E_RNA)
where:
Base-Base interactions energy: -196.693
where: short stacking energy: -160.432
Base-Backbone interact. energy: -0.982
local terms energy: -256.681538
where:
bonds (distance) C4'-P energy: -60.212
bonds (distance) P-C4' energy: -87.605
flat angles C4'-P-C4' energy: -65.506
flat angles P-C4'-P energy: -45.680
tors. eta vs tors. theta energy: 2.321
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: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -417.367637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.367637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.367637 (E_RNA)
where:
Base-Base interactions energy: -156.999
where: short stacking energy: -137.516
Base-Backbone interact. energy: -2.331
local terms energy: -258.037801
where:
bonds (distance) C4'-P energy: -71.489
bonds (distance) P-C4' energy: -86.816
flat angles C4'-P-C4' energy: -56.818
flat angles P-C4'-P energy: -45.095
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: 9, replica: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -396.472395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.472395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.472395 (E_RNA)
where:
Base-Base interactions energy: -132.244
where: short stacking energy: -128.686
Base-Backbone interact. energy: 3.867
local terms energy: -268.095675
where:
bonds (distance) C4'-P energy: -89.452
bonds (distance) P-C4' energy: -82.365
flat angles C4'-P-C4' energy: -66.875
flat angles P-C4'-P energy: -31.361
tors. eta vs tors. theta energy: 1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -365.900895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.900895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.900895 (E_RNA)
where:
Base-Base interactions energy: -145.779
where: short stacking energy: -122.859
Base-Backbone interact. energy: 0.090
local terms energy: -220.211298
where:
bonds (distance) C4'-P energy: -71.067
bonds (distance) P-C4' energy: -77.426
flat angles C4'-P-C4' energy: -56.553
flat angles P-C4'-P energy: -23.049
tors. eta vs tors. theta energy: 7.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1228.549915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.549915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.549915 (E_RNA)
where:
Base-Base interactions energy: -744.104
where: short stacking energy: -452.704
Base-Backbone interact. energy: -0.226
local terms energy: -484.220604
where:
bonds (distance) C4'-P energy: -92.674
bonds (distance) P-C4' energy: -83.722
flat angles C4'-P-C4' energy: -102.429
flat angles P-C4'-P energy: -65.408
tors. eta vs tors. theta energy: -139.989
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: 2, replica: 6
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1128.058713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.058713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.058713 (E_RNA)
where:
Base-Base interactions energy: -670.703
where: short stacking energy: -401.829
Base-Backbone interact. energy: 2.856
local terms energy: -460.211763
where:
bonds (distance) C4'-P energy: -77.430
bonds (distance) P-C4' energy: -100.907
flat angles C4'-P-C4' energy: -102.509
flat angles P-C4'-P energy: -62.894
tors. eta vs tors. theta energy: -116.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -887.217408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.217408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.217408 (E_RNA)
where:
Base-Base interactions energy: -509.854
where: short stacking energy: -291.049
Base-Backbone interact. energy: -3.291
local terms energy: -374.072460
where:
bonds (distance) C4'-P energy: -85.243
bonds (distance) P-C4' energy: -76.960
flat angles C4'-P-C4' energy: -90.495
flat angles P-C4'-P energy: -62.698
tors. eta vs tors. theta energy: -58.676
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: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -866.922766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.922766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.922766 (E_RNA)
where:
Base-Base interactions energy: -500.562
where: short stacking energy: -286.520
Base-Backbone interact. energy: -0.332
local terms energy: -366.028440
where:
bonds (distance) C4'-P energy: -84.227
bonds (distance) P-C4' energy: -80.251
flat angles C4'-P-C4' energy: -85.893
flat angles P-C4'-P energy: -53.472
tors. eta vs tors. theta energy: -62.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -750.310526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.310526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.310526 (E_RNA)
where:
Base-Base interactions energy: -380.788
where: short stacking energy: -245.168
Base-Backbone interact. energy: -0.476
local terms energy: -369.046409
where:
bonds (distance) C4'-P energy: -83.591
bonds (distance) P-C4' energy: -100.461
flat angles C4'-P-C4' energy: -94.682
flat angles P-C4'-P energy: -45.320
tors. eta vs tors. theta energy: -44.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -542.904693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.904693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.904693 (E_RNA)
where:
Base-Base interactions energy: -238.050
where: short stacking energy: -185.633
Base-Backbone interact. energy: -0.019
local terms energy: -304.836372
where:
bonds (distance) C4'-P energy: -81.092
bonds (distance) P-C4' energy: -90.359
flat angles C4'-P-C4' energy: -71.218
flat angles P-C4'-P energy: -38.786
tors. eta vs tors. theta energy: -23.382
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: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -506.216325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.216325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.216325 (E_RNA)
where:
Base-Base interactions energy: -215.833
where: short stacking energy: -151.637
Base-Backbone interact. energy: -0.316
local terms energy: -290.067617
where:
bonds (distance) C4'-P energy: -71.251
bonds (distance) P-C4' energy: -82.968
flat angles C4'-P-C4' energy: -66.794
flat angles P-C4'-P energy: -61.327
tors. eta vs tors. theta energy: -7.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -433.125873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.125873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.125873 (E_RNA)
where:
Base-Base interactions energy: -162.179
where: short stacking energy: -123.229
Base-Backbone interact. energy: -2.109
local terms energy: -268.837572
where:
bonds (distance) C4'-P energy: -90.325
bonds (distance) P-C4' energy: -79.914
flat angles C4'-P-C4' energy: -57.215
flat angles P-C4'-P energy: -39.459
tors. eta vs tors. theta energy: -1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -392.913487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.913487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.913487 (E_RNA)
where:
Base-Base interactions energy: -139.773
where: short stacking energy: -110.076
Base-Backbone interact. energy: 0.939
local terms energy: -254.079765
where:
bonds (distance) C4'-P energy: -71.249
bonds (distance) P-C4' energy: -81.704
flat angles C4'-P-C4' energy: -77.722
flat angles P-C4'-P energy: -31.457
tors. eta vs tors. theta energy: 8.051
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: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -348.175126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.175126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.175126 (E_RNA)
where:
Base-Base interactions energy: -105.522
where: short stacking energy: -80.471
Base-Backbone interact. energy: -0.571
local terms energy: -242.082427
where:
bonds (distance) C4'-P energy: -76.452
bonds (distance) P-C4' energy: -72.482
flat angles C4'-P-C4' energy: -71.960
flat angles P-C4'-P energy: -42.772
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: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1188.158806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.158806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.158806 (E_RNA)
where:
Base-Base interactions energy: -714.156
where: short stacking energy: -429.691
Base-Backbone interact. energy: -1.453
local terms energy: -472.549553
where:
bonds (distance) C4'-P energy: -87.633
bonds (distance) P-C4' energy: -99.756
flat angles C4'-P-C4' energy: -96.881
flat angles P-C4'-P energy: -64.246
tors. eta vs tors. theta energy: -124.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1150.972015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.972015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.972015 (E_RNA)
where:
Base-Base interactions energy: -680.496
where: short stacking energy: -424.154
Base-Backbone interact. energy: 2.150
local terms energy: -472.625756
where:
bonds (distance) C4'-P energy: -85.966
bonds (distance) P-C4' energy: -98.550
flat angles C4'-P-C4' energy: -103.177
flat angles P-C4'-P energy: -62.417
tors. eta vs tors. theta energy: -122.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -984.980116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.980116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.980116 (E_RNA)
where:
Base-Base interactions energy: -570.218
where: short stacking energy: -357.729
Base-Backbone interact. energy: -1.117
local terms energy: -413.645376
where:
bonds (distance) C4'-P energy: -69.822
bonds (distance) P-C4' energy: -92.027
flat angles C4'-P-C4' energy: -90.654
flat angles P-C4'-P energy: -57.503
tors. eta vs tors. theta energy: -103.640
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: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -825.947368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.947368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.947368 (E_RNA)
where:
Base-Base interactions energy: -443.460
where: short stacking energy: -272.262
Base-Backbone interact. energy: -1.912
local terms energy: -380.575523
where:
bonds (distance) C4'-P energy: -74.978
bonds (distance) P-C4' energy: -87.441
flat angles C4'-P-C4' energy: -93.834
flat angles P-C4'-P energy: -52.811
tors. eta vs tors. theta energy: -71.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -753.388475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.388475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.388475 (E_RNA)
where:
Base-Base interactions energy: -411.218
where: short stacking energy: -252.073
Base-Backbone interact. energy: -4.210
local terms energy: -337.961210
where:
bonds (distance) C4'-P energy: -81.034
bonds (distance) P-C4' energy: -72.586
flat angles C4'-P-C4' energy: -78.458
flat angles P-C4'-P energy: -48.659
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: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -565.577572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.577572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.577572 (E_RNA)
where:
Base-Base interactions energy: -247.831
where: short stacking energy: -167.713
Base-Backbone interact. energy: -0.454
local terms energy: -317.292768
where:
bonds (distance) C4'-P energy: -86.358
bonds (distance) P-C4' energy: -74.177
flat angles C4'-P-C4' energy: -87.747
flat angles P-C4'-P energy: -49.870
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -519.841793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.841793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.841793 (E_RNA)
where:
Base-Base interactions energy: -239.945
where: short stacking energy: -144.661
Base-Backbone interact. energy: -0.445
local terms energy: -279.451952
where:
bonds (distance) C4'-P energy: -89.478
bonds (distance) P-C4' energy: -71.634
flat angles C4'-P-C4' energy: -76.231
flat angles P-C4'-P energy: -32.487
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: 8, replica: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -419.868511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.868511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.868511 (E_RNA)
where:
Base-Base interactions energy: -152.401
where: short stacking energy: -129.123
Base-Backbone interact. energy: -0.457
local terms energy: -267.010678
where:
bonds (distance) C4'-P energy: -79.470
bonds (distance) P-C4' energy: -88.634
flat angles C4'-P-C4' energy: -62.818
flat angles P-C4'-P energy: -38.581
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: 9, replica: 1
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -381.660915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.660915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.660915 (E_RNA)
where:
Base-Base interactions energy: -139.438
where: short stacking energy: -133.568
Base-Backbone interact. energy: 1.774
local terms energy: -243.996919
where:
bonds (distance) C4'-P energy: -58.206
bonds (distance) P-C4' energy: -77.606
flat angles C4'-P-C4' energy: -70.801
flat angles P-C4'-P energy: -39.944
tors. eta vs tors. theta energy: 2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -335.962731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.962731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.962731 (E_RNA)
where:
Base-Base interactions energy: -122.117
where: short stacking energy: -114.408
Base-Backbone interact. energy: -0.373
local terms energy: -213.473094
where:
bonds (distance) C4'-P energy: -65.374
bonds (distance) P-C4' energy: -82.380
flat angles C4'-P-C4' energy: -48.639
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: 4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1178.519386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.519386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.519386 (E_RNA)
where:
Base-Base interactions energy: -692.318
where: short stacking energy: -434.156
Base-Backbone interact. energy: 1.302
local terms energy: -487.502777
where:
bonds (distance) C4'-P energy: -93.480
bonds (distance) P-C4' energy: -95.533
flat angles C4'-P-C4' energy: -103.232
flat angles P-C4'-P energy: -65.811
tors. eta vs tors. theta energy: -129.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1138.659398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.659398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.659398 (E_RNA)
where:
Base-Base interactions energy: -691.114
where: short stacking energy: -407.862
Base-Backbone interact. energy: 0.508
local terms energy: -448.053954
where:
bonds (distance) C4'-P energy: -78.978
bonds (distance) P-C4' energy: -94.832
flat angles C4'-P-C4' energy: -88.189
flat angles P-C4'-P energy: -68.872
tors. eta vs tors. theta energy: -117.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -958.224296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.224296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.224296 (E_RNA)
where:
Base-Base interactions energy: -547.080
where: short stacking energy: -342.067
Base-Backbone interact. energy: -1.185
local terms energy: -409.959501
where:
bonds (distance) C4'-P energy: -81.328
bonds (distance) P-C4' energy: -85.132
flat angles C4'-P-C4' energy: -98.047
flat angles P-C4'-P energy: -56.199
tors. eta vs tors. theta energy: -89.254
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: 393
Temperature: 1.050000
Total energy: -873.411162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.411162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.411162 (E_RNA)
where:
Base-Base interactions energy: -501.663
where: short stacking energy: -292.838
Base-Backbone interact. energy: -0.732
local terms energy: -371.016149
where:
bonds (distance) C4'-P energy: -62.610
bonds (distance) P-C4' energy: -91.662
flat angles C4'-P-C4' energy: -94.337
flat angles P-C4'-P energy: -56.233
tors. eta vs tors. theta energy: -66.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -760.680904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.680904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.680904 (E_RNA)
where:
Base-Base interactions energy: -383.902
where: short stacking energy: -255.319
Base-Backbone interact. energy: -0.413
local terms energy: -376.366332
where:
bonds (distance) C4'-P energy: -89.210
bonds (distance) P-C4' energy: -94.349
flat angles C4'-P-C4' energy: -84.794
flat angles P-C4'-P energy: -50.678
tors. eta vs tors. theta energy: -57.336
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: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -603.267309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.267309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.267309 (E_RNA)
where:
Base-Base interactions energy: -263.211
where: short stacking energy: -198.830
Base-Backbone interact. energy: 2.251
local terms energy: -342.308129
where:
bonds (distance) C4'-P energy: -83.114
bonds (distance) P-C4' energy: -87.176
flat angles C4'-P-C4' energy: -82.880
flat angles P-C4'-P energy: -45.373
tors. eta vs tors. theta energy: -43.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -534.751280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.751280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.751280 (E_RNA)
where:
Base-Base interactions energy: -234.878
where: short stacking energy: -163.476
Base-Backbone interact. energy: -0.761
local terms energy: -299.112217
where:
bonds (distance) C4'-P energy: -86.262
bonds (distance) P-C4' energy: -87.810
flat angles C4'-P-C4' energy: -74.578
flat angles P-C4'-P energy: -48.545
tors. eta vs tors. theta energy: -1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -404.965114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.965114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.965114 (E_RNA)
where:
Base-Base interactions energy: -152.405
where: short stacking energy: -124.703
Base-Backbone interact. energy: -1.191
local terms energy: -251.368832
where:
bonds (distance) C4'-P energy: -80.641
bonds (distance) P-C4' energy: -74.392
flat angles C4'-P-C4' energy: -64.845
flat angles P-C4'-P energy: -39.920
tors. eta vs tors. theta energy: 8.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -404.583746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.583746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.583746 (E_RNA)
where:
Base-Base interactions energy: -166.525
where: short stacking energy: -121.483
Base-Backbone interact. energy: -0.976
local terms energy: -237.082782
where:
bonds (distance) C4'-P energy: -48.526
bonds (distance) P-C4' energy: -70.378
flat angles C4'-P-C4' energy: -75.290
flat angles P-C4'-P energy: -40.328
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -337.956857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.956857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.956857 (E_RNA)
where:
Base-Base interactions energy: -95.439
where: short stacking energy: -82.429
Base-Backbone interact. energy: 5.347
local terms energy: -247.865061
where:
bonds (distance) C4'-P energy: -93.771
bonds (distance) P-C4' energy: -72.982
flat angles C4'-P-C4' energy: -65.628
flat angles P-C4'-P energy: -36.753
tors. eta vs tors. theta energy: 21.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1231.900170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.900170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.900170 (E_RNA)
where:
Base-Base interactions energy: -736.325
where: short stacking energy: -455.440
Base-Backbone interact. energy: 1.078
local terms energy: -496.653207
where:
bonds (distance) C4'-P energy: -87.606
bonds (distance) P-C4' energy: -89.725
flat angles C4'-P-C4' energy: -107.100
flat angles P-C4'-P energy: -68.871
tors. eta vs tors. theta energy: -143.351
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: 6
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1135.683508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.683508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.683508 (E_RNA)
where:
Base-Base interactions energy: -666.048
where: short stacking energy: -418.087
Base-Backbone interact. energy: -3.333
local terms energy: -466.302896
where:
bonds (distance) C4'-P energy: -91.443
bonds (distance) P-C4' energy: -91.539
flat angles C4'-P-C4' energy: -91.887
flat angles P-C4'-P energy: -61.955
tors. eta vs tors. theta energy: -129.479
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: 10
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -924.678021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.678021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.678021 (E_RNA)
where:
Base-Base interactions energy: -505.730
where: short stacking energy: -304.981
Base-Backbone interact. energy: 1.803
local terms energy: -420.750923
where:
bonds (distance) C4'-P energy: -89.158
bonds (distance) P-C4' energy: -94.422
flat angles C4'-P-C4' energy: -84.463
flat angles P-C4'-P energy: -67.124
tors. eta vs tors. theta energy: -85.584
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: 7
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -842.462049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.462049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.462049 (E_RNA)
where:
Base-Base interactions energy: -451.160
where: short stacking energy: -279.643
Base-Backbone interact. energy: 1.646
local terms energy: -392.948068
where:
bonds (distance) C4'-P energy: -94.506
bonds (distance) P-C4' energy: -91.026
flat angles C4'-P-C4' energy: -80.141
flat angles P-C4'-P energy: -52.915
tors. eta vs tors. theta energy: -74.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -726.307338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.307338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.307338 (E_RNA)
where:
Base-Base interactions energy: -379.360
where: short stacking energy: -246.946
Base-Backbone interact. energy: 4.617
local terms energy: -351.563842
where:
bonds (distance) C4'-P energy: -84.437
bonds (distance) P-C4' energy: -92.601
flat angles C4'-P-C4' energy: -85.198
flat angles P-C4'-P energy: -46.556
tors. eta vs tors. theta energy: -42.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -562.036286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.036286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.036286 (E_RNA)
where:
Base-Base interactions energy: -269.123
where: short stacking energy: -160.918
Base-Backbone interact. energy: 1.679
local terms energy: -294.592021
where:
bonds (distance) C4'-P energy: -87.099
bonds (distance) P-C4' energy: -67.997
flat angles C4'-P-C4' energy: -78.141
flat angles P-C4'-P energy: -50.523
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: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -491.586705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.586705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.586705 (E_RNA)
where:
Base-Base interactions energy: -203.489
where: short stacking energy: -149.973
Base-Backbone interact. energy: -1.251
local terms energy: -286.847348
where:
bonds (distance) C4'-P energy: -89.337
bonds (distance) P-C4' energy: -84.604
flat angles C4'-P-C4' energy: -66.216
flat angles P-C4'-P energy: -43.268
tors. eta vs tors. theta energy: -3.422
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: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -421.543914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.543914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.543914 (E_RNA)
where:
Base-Base interactions energy: -129.434
where: short stacking energy: -110.884
Base-Backbone interact. energy: 2.344
local terms energy: -294.454707
where:
bonds (distance) C4'-P energy: -80.921
bonds (distance) P-C4' energy: -93.686
flat angles C4'-P-C4' energy: -72.612
flat angles P-C4'-P energy: -48.155
tors. eta vs tors. theta energy: 0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -389.339442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.339442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.339442 (E_RNA)
where:
Base-Base interactions energy: -160.539
where: short stacking energy: -120.136
Base-Backbone interact. energy: 3.322
local terms energy: -232.122672
where:
bonds (distance) C4'-P energy: -67.650
bonds (distance) P-C4' energy: -80.042
flat angles C4'-P-C4' energy: -58.897
flat angles P-C4'-P energy: -28.666
tors. eta vs tors. theta energy: 3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -350.270651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.270651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.270651 (E_RNA)
where:
Base-Base interactions energy: -118.557
where: short stacking energy: -113.905
Base-Backbone interact. energy: -0.126
local terms energy: -231.588208
where:
bonds (distance) C4'-P energy: -54.830
bonds (distance) P-C4' energy: -74.930
flat angles C4'-P-C4' energy: -56.965
flat angles P-C4'-P energy: -47.754
tors. eta vs tors. theta energy: 2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1193.201895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.201895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.201895 (E_RNA)
where:
Base-Base interactions energy: -699.700
where: short stacking energy: -423.695
Base-Backbone interact. energy: -1.884
local terms energy: -491.617617
where:
bonds (distance) C4'-P energy: -82.629
bonds (distance) P-C4' energy: -102.129
flat angles C4'-P-C4' energy: -111.131
flat angles P-C4'-P energy: -66.641
tors. eta vs tors. theta energy: -129.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1163.438588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.438588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.438588 (E_RNA)
where:
Base-Base interactions energy: -676.655
where: short stacking energy: -422.603
Base-Backbone interact. energy: -0.344
local terms energy: -486.439566
where:
bonds (distance) C4'-P energy: -86.143
bonds (distance) P-C4' energy: -91.717
flat angles C4'-P-C4' energy: -109.815
flat angles P-C4'-P energy: -67.197
tors. eta vs tors. theta energy: -131.568
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: 10
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -972.618725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.618725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.618725 (E_RNA)
where:
Base-Base interactions energy: -519.543
where: short stacking energy: -308.535
Base-Backbone interact. energy: -1.738
local terms energy: -451.337926
where:
bonds (distance) C4'-P energy: -100.531
bonds (distance) P-C4' energy: -95.073
flat angles C4'-P-C4' energy: -93.897
flat angles P-C4'-P energy: -76.290
tors. eta vs tors. theta energy: -85.548
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: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -798.278707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.278707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.278707 (E_RNA)
where:
Base-Base interactions energy: -431.535
where: short stacking energy: -269.540
Base-Backbone interact. energy: 0.932
local terms energy: -367.675393
where:
bonds (distance) C4'-P energy: -87.835
bonds (distance) P-C4' energy: -72.452
flat angles C4'-P-C4' energy: -88.859
flat angles P-C4'-P energy: -56.081
tors. eta vs tors. theta energy: -62.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -728.291866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.291866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.291866 (E_RNA)
where:
Base-Base interactions energy: -370.225
where: short stacking energy: -225.507
Base-Backbone interact. energy: -0.539
local terms energy: -357.527612
where:
bonds (distance) C4'-P energy: -71.068
bonds (distance) P-C4' energy: -98.399
flat angles C4'-P-C4' energy: -75.576
flat angles P-C4'-P energy: -57.017
tors. eta vs tors. theta energy: -55.468
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: 8
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -609.039682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.039682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.039682 (E_RNA)
where:
Base-Base interactions energy: -285.769
where: short stacking energy: -190.772
Base-Backbone interact. energy: 0.814
local terms energy: -324.085168
where:
bonds (distance) C4'-P energy: -93.864
bonds (distance) P-C4' energy: -92.791
flat angles C4'-P-C4' energy: -68.809
flat angles P-C4'-P energy: -40.687
tors. eta vs tors. theta energy: -27.935
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: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -468.980885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.980885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.980885 (E_RNA)
where:
Base-Base interactions energy: -177.272
where: short stacking energy: -146.678
Base-Backbone interact. energy: -1.724
local terms energy: -289.984711
where:
bonds (distance) C4'-P energy: -96.024
bonds (distance) P-C4' energy: -76.551
flat angles C4'-P-C4' energy: -71.214
flat angles P-C4'-P energy: -35.665
tors. eta vs tors. theta energy: -10.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -406.403554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.403554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.403554 (E_RNA)
where:
Base-Base interactions energy: -129.360
where: short stacking energy: -125.903
Base-Backbone interact. energy: -0.490
local terms energy: -276.553648
where:
bonds (distance) C4'-P energy: -74.787
bonds (distance) P-C4' energy: -88.449
flat angles C4'-P-C4' energy: -61.792
flat angles P-C4'-P energy: -51.665
tors. eta vs tors. theta energy: 0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -390.521945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.521945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.521945 (E_RNA)
where:
Base-Base interactions energy: -129.609
where: short stacking energy: -115.644
Base-Backbone interact. energy: 0.903
local terms energy: -261.815700
where:
bonds (distance) C4'-P energy: -71.411
bonds (distance) P-C4' energy: -87.160
flat angles C4'-P-C4' energy: -76.048
flat angles P-C4'-P energy: -44.556
tors. eta vs tors. theta energy: 17.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -375.730609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.730609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.730609 (E_RNA)
where:
Base-Base interactions energy: -125.048
where: short stacking energy: -110.949
Base-Backbone interact. energy: 6.739
local terms energy: -257.420801
where:
bonds (distance) C4'-P energy: -78.752
bonds (distance) P-C4' energy: -84.108
flat angles C4'-P-C4' energy: -71.028
flat angles P-C4'-P energy: -30.872
tors. eta vs tors. theta energy: 7.337
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: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1191.401622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.401622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.401622 (E_RNA)
where:
Base-Base interactions energy: -712.611
where: short stacking energy: -452.621
Base-Backbone interact. energy: 1.245
local terms energy: -480.036459
where:
bonds (distance) C4'-P energy: -89.256
bonds (distance) P-C4' energy: -86.681
flat angles C4'-P-C4' energy: -101.283
flat angles P-C4'-P energy: -74.217
tors. eta vs tors. theta energy: -128.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1156.497428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.497428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.497428 (E_RNA)
where:
Base-Base interactions energy: -695.553
where: short stacking energy: -419.030
Base-Backbone interact. energy: -3.564
local terms energy: -457.380555
where:
bonds (distance) C4'-P energy: -85.338
bonds (distance) P-C4' energy: -86.973
flat angles C4'-P-C4' energy: -95.718
flat angles P-C4'-P energy: -61.724
tors. eta vs tors. theta energy: -127.628
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: 3, replica: 10
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -995.589956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.589956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.589956 (E_RNA)
where:
Base-Base interactions energy: -566.658
where: short stacking energy: -344.001
Base-Backbone interact. energy: -1.551
local terms energy: -427.381296
where:
bonds (distance) C4'-P energy: -90.727
bonds (distance) P-C4' energy: -97.448
flat angles C4'-P-C4' energy: -89.325
flat angles P-C4'-P energy: -57.070
tors. eta vs tors. theta energy: -92.812
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: 396
Temperature: 1.050000
Total energy: -851.544027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.544027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.544027 (E_RNA)
where:
Base-Base interactions energy: -452.137
where: short stacking energy: -286.069
Base-Backbone interact. energy: -1.417
local terms energy: -397.990660
where:
bonds (distance) C4'-P energy: -81.569
bonds (distance) P-C4' energy: -89.518
flat angles C4'-P-C4' energy: -101.679
flat angles P-C4'-P energy: -53.117
tors. eta vs tors. theta energy: -72.107
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: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -742.919167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.919167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.919167 (E_RNA)
where:
Base-Base interactions energy: -378.491
where: short stacking energy: -228.586
Base-Backbone interact. energy: 1.315
local terms energy: -365.743718
where:
bonds (distance) C4'-P energy: -77.267
bonds (distance) P-C4' energy: -83.592
flat angles C4'-P-C4' energy: -84.851
flat angles P-C4'-P energy: -61.181
tors. eta vs tors. theta energy: -58.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -535.661927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.661927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.661927 (E_RNA)
where:
Base-Base interactions energy: -227.572
where: short stacking energy: -167.014
Base-Backbone interact. energy: -1.258
local terms energy: -306.831643
where:
bonds (distance) C4'-P energy: -80.711
bonds (distance) P-C4' energy: -90.833
flat angles C4'-P-C4' energy: -71.749
flat angles P-C4'-P energy: -58.113
tors. eta vs tors. theta energy: -5.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -482.250380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.250380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.250380 (E_RNA)
where:
Base-Base interactions energy: -201.371
where: short stacking energy: -167.898
Base-Backbone interact. energy: 0.203
local terms energy: -281.081879
where:
bonds (distance) C4'-P energy: -71.514
bonds (distance) P-C4' energy: -92.703
flat angles C4'-P-C4' energy: -68.252
flat angles P-C4'-P energy: -31.595
tors. eta vs tors. theta energy: -17.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -436.182821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.182821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.182821 (E_RNA)
where:
Base-Base interactions energy: -172.051
where: short stacking energy: -127.005
Base-Backbone interact. energy: -0.120
local terms energy: -264.011954
where:
bonds (distance) C4'-P energy: -68.822
bonds (distance) P-C4' energy: -84.020
flat angles C4'-P-C4' energy: -58.191
flat angles P-C4'-P energy: -49.792
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -382.336921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.336921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.336921 (E_RNA)
where:
Base-Base interactions energy: -110.522
where: short stacking energy: -103.897
Base-Backbone interact. energy: -1.363
local terms energy: -270.451977
where:
bonds (distance) C4'-P energy: -72.066
bonds (distance) P-C4' energy: -92.106
flat angles C4'-P-C4' energy: -62.176
flat angles P-C4'-P energy: -54.718
tors. eta vs tors. theta energy: 10.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -377.074201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.074201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.074201 (E_RNA)
where:
Base-Base interactions energy: -141.044
where: short stacking energy: -125.095
Base-Backbone interact. energy: -2.099
local terms energy: -233.931622
where:
bonds (distance) C4'-P energy: -88.119
bonds (distance) P-C4' energy: -73.643
flat angles C4'-P-C4' energy: -49.567
flat angles P-C4'-P energy: -30.956
tors. eta vs tors. theta energy: 8.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1215.172076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.172076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.172076 (E_RNA)
where:
Base-Base interactions energy: -728.028
where: short stacking energy: -442.815
Base-Backbone interact. energy: 0.570
local terms energy: -487.714938
where:
bonds (distance) C4'-P energy: -105.684
bonds (distance) P-C4' energy: -88.819
flat angles C4'-P-C4' energy: -92.489
flat angles P-C4'-P energy: -71.971
tors. eta vs tors. theta energy: -128.753
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: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1159.237044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.237044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.237044 (E_RNA)
where:
Base-Base interactions energy: -695.269
where: short stacking energy: -430.350
Base-Backbone interact. energy: 0.321
local terms energy: -464.289497
where:
bonds (distance) C4'-P energy: -91.427
bonds (distance) P-C4' energy: -98.951
flat angles C4'-P-C4' energy: -98.915
flat angles P-C4'-P energy: -61.447
tors. eta vs tors. theta energy: -113.550
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: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -982.554581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.554581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.554581 (E_RNA)
where:
Base-Base interactions energy: -561.614
where: short stacking energy: -344.415
Base-Backbone interact. energy: 0.788
local terms energy: -421.728629
where:
bonds (distance) C4'-P energy: -89.395
bonds (distance) P-C4' energy: -77.765
flat angles C4'-P-C4' energy: -93.218
flat angles P-C4'-P energy: -54.720
tors. eta vs tors. theta energy: -106.630
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: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -816.407651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.407651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.407651 (E_RNA)
where:
Base-Base interactions energy: -433.439
where: short stacking energy: -275.054
Base-Backbone interact. energy: -0.208
local terms energy: -382.760586
where:
bonds (distance) C4'-P energy: -89.909
bonds (distance) P-C4' energy: -84.125
flat angles C4'-P-C4' energy: -85.975
flat angles P-C4'-P energy: -54.306
tors. eta vs tors. theta energy: -68.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -749.384123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.384123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.384123 (E_RNA)
where:
Base-Base interactions energy: -369.605
where: short stacking energy: -224.213
Base-Backbone interact. energy: -1.052
local terms energy: -378.727102
where:
bonds (distance) C4'-P energy: -91.944
bonds (distance) P-C4' energy: -92.475
flat angles C4'-P-C4' energy: -90.561
flat angles P-C4'-P energy: -56.217
tors. eta vs tors. theta energy: -47.530
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: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -581.147737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.147737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.147737 (E_RNA)
where:
Base-Base interactions energy: -226.088
where: short stacking energy: -150.632
Base-Backbone interact. energy: -1.494
local terms energy: -353.566611
where:
bonds (distance) C4'-P energy: -99.124
bonds (distance) P-C4' energy: -87.645
flat angles C4'-P-C4' energy: -73.499
flat angles P-C4'-P energy: -58.975
tors. eta vs tors. theta energy: -34.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -444.499250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.499250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.499250 (E_RNA)
where:
Base-Base interactions energy: -138.466
where: short stacking energy: -129.846
Base-Backbone interact. energy: -0.098
local terms energy: -305.934758
where:
bonds (distance) C4'-P energy: -76.495
bonds (distance) P-C4' energy: -83.966
flat angles C4'-P-C4' energy: -92.603
flat angles P-C4'-P energy: -49.790
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -411.538531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.538531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.538531 (E_RNA)
where:
Base-Base interactions energy: -166.704
where: short stacking energy: -114.398
Base-Backbone interact. energy: -2.104
local terms energy: -242.730451
where:
bonds (distance) C4'-P energy: -77.821
bonds (distance) P-C4' energy: -72.437
flat angles C4'-P-C4' energy: -71.685
flat angles P-C4'-P energy: -38.521
tors. eta vs tors. theta energy: 17.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -402.331047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.331047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.331047 (E_RNA)
where:
Base-Base interactions energy: -123.724
where: short stacking energy: -109.109
Base-Backbone interact. energy: 0.250
local terms energy: -278.857413
where:
bonds (distance) C4'-P energy: -91.318
bonds (distance) P-C4' energy: -81.777
flat angles C4'-P-C4' energy: -70.845
flat angles P-C4'-P energy: -36.159
tors. eta vs tors. theta energy: 1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -369.549246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.549246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.549246 (E_RNA)
where:
Base-Base interactions energy: -114.385
where: short stacking energy: -90.806
Base-Backbone interact. energy: 5.769
local terms energy: -260.933658
where:
bonds (distance) C4'-P energy: -86.551
bonds (distance) P-C4' energy: -95.976
flat angles C4'-P-C4' energy: -50.246
flat angles P-C4'-P energy: -52.411
tors. eta vs tors. theta energy: 24.250
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: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1226.808891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.808891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.808891 (E_RNA)
where:
Base-Base interactions energy: -724.614
where: short stacking energy: -426.621
Base-Backbone interact. energy: -0.895
local terms energy: -501.300631
where:
bonds (distance) C4'-P energy: -95.406
bonds (distance) P-C4' energy: -92.707
flat angles C4'-P-C4' energy: -100.310
flat angles P-C4'-P energy: -71.957
tors. eta vs tors. theta energy: -140.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1166.390247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.390247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.390247 (E_RNA)
where:
Base-Base interactions energy: -679.462
where: short stacking energy: -426.461
Base-Backbone interact. energy: -0.650
local terms energy: -486.277966
where:
bonds (distance) C4'-P energy: -84.299
bonds (distance) P-C4' energy: -95.137
flat angles C4'-P-C4' energy: -106.394
flat angles P-C4'-P energy: -74.452
tors. eta vs tors. theta energy: -125.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -927.260829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.260829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.260829 (E_RNA)
where:
Base-Base interactions energy: -537.173
where: short stacking energy: -319.059
Base-Backbone interact. energy: 2.059
local terms energy: -392.146428
where:
bonds (distance) C4'-P energy: -78.169
bonds (distance) P-C4' energy: -93.314
flat angles C4'-P-C4' energy: -85.784
flat angles P-C4'-P energy: -50.136
tors. eta vs tors. theta energy: -84.744
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: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -797.571606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.571606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.571606 (E_RNA)
where:
Base-Base interactions energy: -411.531
where: short stacking energy: -257.210
Base-Backbone interact. energy: -0.894
local terms energy: -385.146286
where:
bonds (distance) C4'-P energy: -86.580
bonds (distance) P-C4' energy: -89.541
flat angles C4'-P-C4' energy: -84.395
flat angles P-C4'-P energy: -61.876
tors. eta vs tors. theta energy: -62.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -729.434664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.434664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.434664 (E_RNA)
where:
Base-Base interactions energy: -394.550
where: short stacking energy: -221.090
Base-Backbone interact. energy: -0.616
local terms energy: -334.268641
where:
bonds (distance) C4'-P energy: -79.546
bonds (distance) P-C4' energy: -85.571
flat angles C4'-P-C4' energy: -79.539
flat angles P-C4'-P energy: -52.263
tors. eta vs tors. theta energy: -37.349
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: 398
Temperature: 1.150000
Total energy: -572.054847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.054847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.054847 (E_RNA)
where:
Base-Base interactions energy: -264.207
where: short stacking energy: -171.707
Base-Backbone interact. energy: -0.543
local terms energy: -307.304896
where:
bonds (distance) C4'-P energy: -77.919
bonds (distance) P-C4' energy: -83.928
flat angles C4'-P-C4' energy: -78.032
flat angles P-C4'-P energy: -34.220
tors. eta vs tors. theta energy: -33.206
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: 7, replica: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -445.414495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.414495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.414495 (E_RNA)
where:
Base-Base interactions energy: -146.052
where: short stacking energy: -112.747
Base-Backbone interact. energy: 1.673
local terms energy: -301.034870
where:
bonds (distance) C4'-P energy: -89.445
bonds (distance) P-C4' energy: -91.674
flat angles C4'-P-C4' energy: -79.466
flat angles P-C4'-P energy: -40.859
tors. eta vs tors. theta energy: 0.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -442.240293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.240293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.240293 (E_RNA)
where:
Base-Base interactions energy: -188.504
where: short stacking energy: -154.711
Base-Backbone interact. energy: 1.247
local terms energy: -254.983591
where:
bonds (distance) C4'-P energy: -79.832
bonds (distance) P-C4' energy: -78.236
flat angles C4'-P-C4' energy: -59.915
flat angles P-C4'-P energy: -39.590
tors. eta vs tors. theta energy: 2.590
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: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -400.444859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.444859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.444859 (E_RNA)
where:
Base-Base interactions energy: -156.004
where: short stacking energy: -118.007
Base-Backbone interact. energy: -1.726
local terms energy: -242.714713
where:
bonds (distance) C4'-P energy: -57.175
bonds (distance) P-C4' energy: -83.163
flat angles C4'-P-C4' energy: -64.780
flat angles P-C4'-P energy: -41.256
tors. eta vs tors. theta energy: 3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -355.584645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.584645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.584645 (E_RNA)
where:
Base-Base interactions energy: -120.909
where: short stacking energy: -100.908
Base-Backbone interact. energy: -2.516
local terms energy: -232.159446
where:
bonds (distance) C4'-P energy: -79.078
bonds (distance) P-C4' energy: -76.437
flat angles C4'-P-C4' energy: -61.598
flat angles P-C4'-P energy: -39.798
tors. eta vs tors. theta energy: 24.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1244.042795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.042795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.042795 (E_RNA)
where:
Base-Base interactions energy: -741.982
where: short stacking energy: -458.409
Base-Backbone interact. energy: 0.537
local terms energy: -502.597492
where:
bonds (distance) C4'-P energy: -87.402
bonds (distance) P-C4' energy: -93.796
flat angles C4'-P-C4' energy: -101.838
flat angles P-C4'-P energy: -77.297
tors. eta vs tors. theta energy: -142.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1186.733862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.733862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.733862 (E_RNA)
where:
Base-Base interactions energy: -699.053
where: short stacking energy: -424.525
Base-Backbone interact. energy: -0.509
local terms energy: -487.171951
where:
bonds (distance) C4'-P energy: -85.561
bonds (distance) P-C4' energy: -96.900
flat angles C4'-P-C4' energy: -102.725
flat angles P-C4'-P energy: -72.073
tors. eta vs tors. theta energy: -129.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -913.646142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.646142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.646142 (E_RNA)
where:
Base-Base interactions energy: -519.666
where: short stacking energy: -312.021
Base-Backbone interact. energy: -1.709
local terms energy: -392.271048
where:
bonds (distance) C4'-P energy: -88.585
bonds (distance) P-C4' energy: -75.020
flat angles C4'-P-C4' energy: -92.216
flat angles P-C4'-P energy: -59.620
tors. eta vs tors. theta energy: -76.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -801.304326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.304326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.304326 (E_RNA)
where:
Base-Base interactions energy: -414.826
where: short stacking energy: -266.715
Base-Backbone interact. energy: -0.803
local terms energy: -385.675301
where:
bonds (distance) C4'-P energy: -94.062
bonds (distance) P-C4' energy: -93.603
flat angles C4'-P-C4' energy: -84.675
flat angles P-C4'-P energy: -51.620
tors. eta vs tors. theta energy: -61.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -783.267535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.267535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.267535 (E_RNA)
where:
Base-Base interactions energy: -426.153
where: short stacking energy: -238.983
Base-Backbone interact. energy: -0.145
local terms energy: -356.969662
where:
bonds (distance) C4'-P energy: -78.980
bonds (distance) P-C4' energy: -84.568
flat angles C4'-P-C4' energy: -84.489
flat angles P-C4'-P energy: -45.609
tors. eta vs tors. theta energy: -63.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -572.957139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.957139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.957139 (E_RNA)
where:
Base-Base interactions energy: -243.694
where: short stacking energy: -159.510
Base-Backbone interact. energy: -2.596
local terms energy: -326.667620
where:
bonds (distance) C4'-P energy: -89.146
bonds (distance) P-C4' energy: -82.511
flat angles C4'-P-C4' energy: -78.456
flat angles P-C4'-P energy: -48.524
tors. eta vs tors. theta energy: -28.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -465.697598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.697598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.697598 (E_RNA)
where:
Base-Base interactions energy: -194.725
where: short stacking energy: -158.334
Base-Backbone interact. energy: 2.441
local terms energy: -273.414271
where:
bonds (distance) C4'-P energy: -76.803
bonds (distance) P-C4' energy: -82.952
flat angles C4'-P-C4' energy: -68.713
flat angles P-C4'-P energy: -30.019
tors. eta vs tors. theta energy: -14.928
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: 399
Temperature: 1.250000
Total energy: -414.933901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.933901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.933901 (E_RNA)
where:
Base-Base interactions energy: -136.291
where: short stacking energy: -123.663
Base-Backbone interact. energy: -0.307
local terms energy: -278.336107
where:
bonds (distance) C4'-P energy: -75.418
bonds (distance) P-C4' energy: -78.754
flat angles C4'-P-C4' energy: -62.676
flat angles P-C4'-P energy: -49.333
tors. eta vs tors. theta energy: -12.156
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: 3
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -370.607312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.607312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.607312 (E_RNA)
where:
Base-Base interactions energy: -110.462
where: short stacking energy: -94.523
Base-Backbone interact. energy: 0.337
local terms energy: -260.482844
where:
bonds (distance) C4'-P energy: -72.413
bonds (distance) P-C4' energy: -76.706
flat angles C4'-P-C4' energy: -66.215
flat angles P-C4'-P energy: -46.212
tors. eta vs tors. theta energy: 1.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -356.304908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.304908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.304908 (E_RNA)
where:
Base-Base interactions energy: -113.727
where: short stacking energy: -97.232
Base-Backbone interact. energy: 2.663
local terms energy: -245.241526
where:
bonds (distance) C4'-P energy: -84.498
bonds (distance) P-C4' energy: -85.716
flat angles C4'-P-C4' energy: -51.448
flat angles P-C4'-P energy: -41.634
tors. eta vs tors. theta energy: 18.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1205.696930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.696930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.696930 (E_RNA)
where:
Base-Base interactions energy: -726.889
where: short stacking energy: -421.833
Base-Backbone interact. energy: 1.328
local terms energy: -480.135566
where:
bonds (distance) C4'-P energy: -96.200
bonds (distance) P-C4' energy: -85.241
flat angles C4'-P-C4' energy: -98.627
flat angles P-C4'-P energy: -71.897
tors. eta vs tors. theta energy: -128.170
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: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1197.443695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.443695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.443695 (E_RNA)
where:
Base-Base interactions energy: -714.908
where: short stacking energy: -431.294
Base-Backbone interact. energy: 2.135
local terms energy: -484.670713
where:
bonds (distance) C4'-P energy: -92.805
bonds (distance) P-C4' energy: -85.969
flat angles C4'-P-C4' energy: -95.881
flat angles P-C4'-P energy: -71.991
tors. eta vs tors. theta energy: -138.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -919.613648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.613648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.613648 (E_RNA)
where:
Base-Base interactions energy: -503.487
where: short stacking energy: -303.048
Base-Backbone interact. energy: 0.686
local terms energy: -416.812430
where:
bonds (distance) C4'-P energy: -87.880
bonds (distance) P-C4' energy: -92.256
flat angles C4'-P-C4' energy: -95.775
flat angles P-C4'-P energy: -57.601
tors. eta vs tors. theta energy: -83.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -759.460733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.460733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.460733 (E_RNA)
where:
Base-Base interactions energy: -396.902
where: short stacking energy: -253.333
Base-Backbone interact. energy: 2.631
local terms energy: -365.189425
where:
bonds (distance) C4'-P energy: -85.196
bonds (distance) P-C4' energy: -88.312
flat angles C4'-P-C4' energy: -79.867
flat angles P-C4'-P energy: -60.007
tors. eta vs tors. theta energy: -51.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -772.786193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.786193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.786193 (E_RNA)
where:
Base-Base interactions energy: -410.851
where: short stacking energy: -226.744
Base-Backbone interact. energy: 4.031
local terms energy: -365.965963
where:
bonds (distance) C4'-P energy: -91.883
bonds (distance) P-C4' energy: -89.396
flat angles C4'-P-C4' energy: -79.752
flat angles P-C4'-P energy: -57.062
tors. eta vs tors. theta energy: -47.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -592.310553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.310553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.310553 (E_RNA)
where:
Base-Base interactions energy: -262.061
where: short stacking energy: -171.547
Base-Backbone interact. energy: -1.871
local terms energy: -328.378564
where:
bonds (distance) C4'-P energy: -96.667
bonds (distance) P-C4' energy: -84.834
flat angles C4'-P-C4' energy: -77.924
flat angles P-C4'-P energy: -47.611
tors. eta vs tors. theta energy: -21.342
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: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -507.459613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.459613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.459613 (E_RNA)
where:
Base-Base interactions energy: -214.463
where: short stacking energy: -155.900
Base-Backbone interact. energy: 2.669
local terms energy: -295.666179
where:
bonds (distance) C4'-P energy: -59.797
bonds (distance) P-C4' energy: -90.442
flat angles C4'-P-C4' energy: -78.290
flat angles P-C4'-P energy: -50.225
tors. eta vs tors. theta energy: -16.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -422.093680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.093680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.093680 (E_RNA)
where:
Base-Base interactions energy: -160.712
where: short stacking energy: -121.126
Base-Backbone interact. energy: 1.679
local terms energy: -263.060417
where:
bonds (distance) C4'-P energy: -75.919
bonds (distance) P-C4' energy: -86.594
flat angles C4'-P-C4' energy: -68.628
flat angles P-C4'-P energy: -48.903
tors. eta vs tors. theta energy: 16.984
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: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -378.804884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.804884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.804884 (E_RNA)
where:
Base-Base interactions energy: -95.777
where: short stacking energy: -92.514
Base-Backbone interact. energy: 0.766
local terms energy: -283.793863
where:
bonds (distance) C4'-P energy: -88.851
bonds (distance) P-C4' energy: -78.754
flat angles C4'-P-C4' energy: -76.450
flat angles P-C4'-P energy: -40.268
tors. eta vs tors. theta energy: 0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -341.541751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.541751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.541751 (E_RNA)
where:
Base-Base interactions energy: -104.093
where: short stacking energy: -90.772
Base-Backbone interact. energy: 6.603
local terms energy: -244.051272
where:
bonds (distance) C4'-P energy: -70.718
bonds (distance) P-C4' energy: -76.151
flat angles C4'-P-C4' energy: -55.181
flat angles P-C4'-P energy: -49.219
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: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1225.822321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.822321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.822321 (E_RNA)
where:
Base-Base interactions energy: -729.123
where: short stacking energy: -439.479
Base-Backbone interact. energy: -2.357
local terms energy: -494.342223
where:
bonds (distance) C4'-P energy: -88.208
bonds (distance) P-C4' energy: -99.910
flat angles C4'-P-C4' energy: -102.303
flat angles P-C4'-P energy: -71.442
tors. eta vs tors. theta energy: -132.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1162.343772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.343772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.343772 (E_RNA)
where:
Base-Base interactions energy: -690.635
where: short stacking energy: -417.595
Base-Backbone interact. energy: -1.527
local terms energy: -470.182035
where:
bonds (distance) C4'-P energy: -85.259
bonds (distance) P-C4' energy: -93.641
flat angles C4'-P-C4' energy: -99.460
flat angles P-C4'-P energy: -72.709
tors. eta vs tors. theta energy: -119.114
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: 10
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -935.328697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.328697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.328697 (E_RNA)
where:
Base-Base interactions energy: -517.522
where: short stacking energy: -312.825
Base-Backbone interact. energy: -0.891
local terms energy: -416.915573
where:
bonds (distance) C4'-P energy: -92.729
bonds (distance) P-C4' energy: -94.889
flat angles C4'-P-C4' energy: -90.346
flat angles P-C4'-P energy: -60.849
tors. eta vs tors. theta energy: -78.102
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: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -775.448855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.448855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.448855 (E_RNA)
where:
Base-Base interactions energy: -399.554
where: short stacking energy: -239.444
Base-Backbone interact. energy: -2.021
local terms energy: -373.873448
where:
bonds (distance) C4'-P energy: -81.398
bonds (distance) P-C4' energy: -89.558
flat angles C4'-P-C4' energy: -88.737
flat angles P-C4'-P energy: -58.550
tors. eta vs tors. theta energy: -55.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -749.453777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.453777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.453777 (E_RNA)
where:
Base-Base interactions energy: -393.951
where: short stacking energy: -234.975
Base-Backbone interact. energy: -0.251
local terms energy: -355.252272
where:
bonds (distance) C4'-P energy: -77.324
bonds (distance) P-C4' energy: -85.967
flat angles C4'-P-C4' energy: -89.068
flat angles P-C4'-P energy: -52.011
tors. eta vs tors. theta energy: -50.882
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: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -568.436492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.436492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.436492 (E_RNA)
where:
Base-Base interactions energy: -267.307
where: short stacking energy: -200.277
Base-Backbone interact. energy: -0.873
local terms energy: -300.257108
where:
bonds (distance) C4'-P energy: -70.451
bonds (distance) P-C4' energy: -79.961
flat angles C4'-P-C4' energy: -72.376
flat angles P-C4'-P energy: -41.525
tors. eta vs tors. theta energy: -35.944
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: 1
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -433.695479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.695479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.695479 (E_RNA)
where:
Base-Base interactions energy: -149.319
where: short stacking energy: -142.015
Base-Backbone interact. energy: -3.545
local terms energy: -280.831162
where:
bonds (distance) C4'-P energy: -77.269
bonds (distance) P-C4' energy: -88.656
flat angles C4'-P-C4' energy: -77.254
flat angles P-C4'-P energy: -38.249
tors. eta vs tors. theta energy: 0.597
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: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -435.034570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.034570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.034570 (E_RNA)
where:
Base-Base interactions energy: -164.260
where: short stacking energy: -140.289
Base-Backbone interact. energy: -0.395
local terms energy: -270.379832
where:
bonds (distance) C4'-P energy: -84.939
bonds (distance) P-C4' energy: -62.967
flat angles C4'-P-C4' energy: -79.040
flat angles P-C4'-P energy: -45.701
tors. eta vs tors. theta energy: 2.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -393.281619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.281619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.281619 (E_RNA)
where:
Base-Base interactions energy: -133.757
where: short stacking energy: -120.131
Base-Backbone interact. energy: -1.621
local terms energy: -257.903122
where:
bonds (distance) C4'-P energy: -77.023
bonds (distance) P-C4' energy: -81.680
flat angles C4'-P-C4' energy: -71.747
flat angles P-C4'-P energy: -40.680
tors. eta vs tors. theta energy: 13.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -358.424346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.424346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.424346 (E_RNA)
where:
Base-Base interactions energy: -99.463
where: short stacking energy: -92.297
Base-Backbone interact. energy: 0.101
local terms energy: -259.062767
where:
bonds (distance) C4'-P energy: -68.708
bonds (distance) P-C4' energy: -84.440
flat angles C4'-P-C4' energy: -79.997
flat angles P-C4'-P energy: -42.623
tors. eta vs tors. theta energy: 16.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1240.988235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.988235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.988235 (E_RNA)
where:
Base-Base interactions energy: -747.181
where: short stacking energy: -463.043
Base-Backbone interact. energy: -1.299
local terms energy: -492.507522
where:
bonds (distance) C4'-P energy: -87.181
bonds (distance) P-C4' energy: -99.892
flat angles C4'-P-C4' energy: -102.295
flat angles P-C4'-P energy: -73.734
tors. eta vs tors. theta energy: -129.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1165.632240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.632240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.632240 (E_RNA)
where:
Base-Base interactions energy: -682.373
where: short stacking energy: -406.730
Base-Backbone interact. energy: -0.553
local terms energy: -482.705992
where:
bonds (distance) C4'-P energy: -83.007
bonds (distance) P-C4' energy: -98.553
flat angles C4'-P-C4' energy: -102.727
flat angles P-C4'-P energy: -78.477
tors. eta vs tors. theta energy: -119.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -941.695142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.695142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.695142 (E_RNA)
where:
Base-Base interactions energy: -519.599
where: short stacking energy: -311.330
Base-Backbone interact. energy: -0.239
local terms energy: -421.857085
where:
bonds (distance) C4'-P energy: -91.076
bonds (distance) P-C4' energy: -83.569
flat angles C4'-P-C4' energy: -89.936
flat angles P-C4'-P energy: -60.707
tors. eta vs tors. theta energy: -96.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -808.366068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.366068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.366068 (E_RNA)
where:
Base-Base interactions energy: -437.196
where: short stacking energy: -269.961
Base-Backbone interact. energy: -1.583
local terms energy: -369.587180
where:
bonds (distance) C4'-P energy: -82.090
bonds (distance) P-C4' energy: -94.268
flat angles C4'-P-C4' energy: -85.504
flat angles P-C4'-P energy: -48.598
tors. eta vs tors. theta energy: -59.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -731.488609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.488609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.488609 (E_RNA)
where:
Base-Base interactions energy: -382.531
where: short stacking energy: -229.878
Base-Backbone interact. energy: -0.752
local terms energy: -348.205967
where:
bonds (distance) C4'-P energy: -84.879
bonds (distance) P-C4' energy: -89.892
flat angles C4'-P-C4' energy: -77.451
flat angles P-C4'-P energy: -51.353
tors. eta vs tors. theta energy: -44.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -541.988801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.988801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.988801 (E_RNA)
where:
Base-Base interactions energy: -205.419
where: short stacking energy: -174.782
Base-Backbone interact. energy: -0.492
local terms energy: -336.078335
where:
bonds (distance) C4'-P energy: -80.236
bonds (distance) P-C4' energy: -93.231
flat angles C4'-P-C4' energy: -74.267
flat angles P-C4'-P energy: -55.170
tors. eta vs tors. theta energy: -33.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -434.134462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.134462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.134462 (E_RNA)
where:
Base-Base interactions energy: -142.118
where: short stacking energy: -124.514
Base-Backbone interact. energy: 0.834
local terms energy: -292.850058
where:
bonds (distance) C4'-P energy: -84.890
bonds (distance) P-C4' energy: -85.475
flat angles C4'-P-C4' energy: -72.398
flat angles P-C4'-P energy: -45.746
tors. eta vs tors. theta energy: -4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -479.269485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.269485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.269485 (E_RNA)
where:
Base-Base interactions energy: -193.724
where: short stacking energy: -131.309
Base-Backbone interact. energy: 0.291
local terms energy: -285.836646
where:
bonds (distance) C4'-P energy: -77.991
bonds (distance) P-C4' energy: -93.851
flat angles C4'-P-C4' energy: -83.425
flat angles P-C4'-P energy: -37.118
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: 402
Temperature: 1.300000
Total energy: -390.641284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.641284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.641284 (E_RNA)
where:
Base-Base interactions energy: -140.931
where: short stacking energy: -117.048
Base-Backbone interact. energy: 4.231
local terms energy: -253.941614
where:
bonds (distance) C4'-P energy: -75.142
bonds (distance) P-C4' energy: -70.729
flat angles C4'-P-C4' energy: -74.536
flat angles P-C4'-P energy: -47.117
tors. eta vs tors. theta energy: 13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -356.326793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.326793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.326793 (E_RNA)
where:
Base-Base interactions energy: -112.419
where: short stacking energy: -97.641
Base-Backbone interact. energy: -0.065
local terms energy: -243.842870
where:
bonds (distance) C4'-P energy: -87.317
bonds (distance) P-C4' energy: -87.742
flat angles C4'-P-C4' energy: -51.915
flat angles P-C4'-P energy: -34.895
tors. eta vs tors. theta energy: 18.026
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: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1245.327784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.327784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.327784 (E_RNA)
where:
Base-Base interactions energy: -751.329
where: short stacking energy: -473.398
Base-Backbone interact. energy: -0.914
local terms energy: -493.084845
where:
bonds (distance) C4'-P energy: -89.037
bonds (distance) P-C4' energy: -95.275
flat angles C4'-P-C4' energy: -107.053
flat angles P-C4'-P energy: -61.850
tors. eta vs tors. theta energy: -139.869
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: 6
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1142.074449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.074449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.074449 (E_RNA)
where:
Base-Base interactions energy: -680.241
where: short stacking energy: -414.283
Base-Backbone interact. energy: 1.817
local terms energy: -463.650009
where:
bonds (distance) C4'-P energy: -96.025
bonds (distance) P-C4' energy: -84.034
flat angles C4'-P-C4' energy: -98.422
flat angles P-C4'-P energy: -68.837
tors. eta vs tors. theta energy: -116.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -957.012075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.012075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.012075 (E_RNA)
where:
Base-Base interactions energy: -548.432
where: short stacking energy: -317.908
Base-Backbone interact. energy: -1.773
local terms energy: -406.806868
where:
bonds (distance) C4'-P energy: -78.752
bonds (distance) P-C4' energy: -92.801
flat angles C4'-P-C4' energy: -90.403
flat angles P-C4'-P energy: -66.788
tors. eta vs tors. theta energy: -78.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -808.274068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.274068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.274068 (E_RNA)
where:
Base-Base interactions energy: -438.033
where: short stacking energy: -271.301
Base-Backbone interact. energy: 0.273
local terms energy: -370.513578
where:
bonds (distance) C4'-P energy: -88.982
bonds (distance) P-C4' energy: -81.959
flat angles C4'-P-C4' energy: -86.265
flat angles P-C4'-P energy: -50.279
tors. eta vs tors. theta energy: -63.028
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: 403
Temperature: 1.100000
Total energy: -715.808637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.808637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.808637 (E_RNA)
where:
Base-Base interactions energy: -364.865
where: short stacking energy: -208.603
Base-Backbone interact. energy: 2.056
local terms energy: -353.000354
where:
bonds (distance) C4'-P energy: -72.381
bonds (distance) P-C4' energy: -85.824
flat angles C4'-P-C4' energy: -82.583
flat angles P-C4'-P energy: -60.323
tors. eta vs tors. theta energy: -51.889
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: 403
Temperature: 1.150000
Total energy: -519.532177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.532177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.532177 (E_RNA)
where:
Base-Base interactions energy: -201.275
where: short stacking energy: -168.975
Base-Backbone interact. energy: -2.014
local terms energy: -316.243537
where:
bonds (distance) C4'-P energy: -81.962
bonds (distance) P-C4' energy: -72.990
flat angles C4'-P-C4' energy: -83.749
flat angles P-C4'-P energy: -59.982
tors. eta vs tors. theta energy: -17.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -483.446822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.446822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.446822 (E_RNA)
where:
Base-Base interactions energy: -177.434
where: short stacking energy: -175.286
Base-Backbone interact. energy: -0.567
local terms energy: -305.446026
where:
bonds (distance) C4'-P energy: -78.257
bonds (distance) P-C4' energy: -84.082
flat angles C4'-P-C4' energy: -82.021
flat angles P-C4'-P energy: -45.568
tors. eta vs tors. theta energy: -15.518
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: 8, replica: 9
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -495.442854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.442854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.442854 (E_RNA)
where:
Base-Base interactions energy: -222.262
where: short stacking energy: -146.187
Base-Backbone interact. energy: 4.826
local terms energy: -278.006828
where:
bonds (distance) C4'-P energy: -90.322
bonds (distance) P-C4' energy: -78.906
flat angles C4'-P-C4' energy: -76.047
flat angles P-C4'-P energy: -27.893
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -387.492061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.492061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.492061 (E_RNA)
where:
Base-Base interactions energy: -130.169
where: short stacking energy: -123.259
Base-Backbone interact. energy: -2.470
local terms energy: -254.852756
where:
bonds (distance) C4'-P energy: -71.933
bonds (distance) P-C4' energy: -87.204
flat angles C4'-P-C4' energy: -62.469
flat angles P-C4'-P energy: -44.205
tors. eta vs tors. theta energy: 10.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -354.458289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.458289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.458289 (E_RNA)
where:
Base-Base interactions energy: -123.343
where: short stacking energy: -94.394
Base-Backbone interact. energy: -1.210
local terms energy: -229.905316
where:
bonds (distance) C4'-P energy: -65.330
bonds (distance) P-C4' energy: -71.108
flat angles C4'-P-C4' energy: -67.557
flat angles P-C4'-P energy: -44.722
tors. eta vs tors. theta energy: 18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1229.687048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.687048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.687048 (E_RNA)
where:
Base-Base interactions energy: -733.190
where: short stacking energy: -434.676
Base-Backbone interact. energy: -0.484
local terms energy: -496.013638
where:
bonds (distance) C4'-P energy: -88.856
bonds (distance) P-C4' energy: -93.630
flat angles C4'-P-C4' energy: -102.467
flat angles P-C4'-P energy: -73.857
tors. eta vs tors. theta energy: -137.203
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: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1178.280724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.280724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.280724 (E_RNA)
where:
Base-Base interactions energy: -704.684
where: short stacking energy: -425.394
Base-Backbone interact. energy: -0.921
local terms energy: -472.675727
where:
bonds (distance) C4'-P energy: -83.048
bonds (distance) P-C4' energy: -88.035
flat angles C4'-P-C4' energy: -97.040
flat angles P-C4'-P energy: -67.745
tors. eta vs tors. theta energy: -136.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -967.455669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.455669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.455669 (E_RNA)
where:
Base-Base interactions energy: -553.089
where: short stacking energy: -322.289
Base-Backbone interact. energy: -1.356
local terms energy: -413.011366
where:
bonds (distance) C4'-P energy: -83.371
bonds (distance) P-C4' energy: -93.640
flat angles C4'-P-C4' energy: -95.957
flat angles P-C4'-P energy: -66.821
tors. eta vs tors. theta energy: -73.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -782.414726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.414726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.414726 (E_RNA)
where:
Base-Base interactions energy: -396.609
where: short stacking energy: -263.153
Base-Backbone interact. energy: 1.118
local terms energy: -386.924009
where:
bonds (distance) C4'-P energy: -78.489
bonds (distance) P-C4' energy: -86.942
flat angles C4'-P-C4' energy: -93.258
flat angles P-C4'-P energy: -57.838
tors. eta vs tors. theta energy: -70.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -714.180976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.180976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.180976 (E_RNA)
where:
Base-Base interactions energy: -375.310
where: short stacking energy: -242.611
Base-Backbone interact. energy: -0.516
local terms energy: -338.355089
where:
bonds (distance) C4'-P energy: -64.205
bonds (distance) P-C4' energy: -88.464
flat angles C4'-P-C4' energy: -88.249
flat angles P-C4'-P energy: -45.702
tors. eta vs tors. theta energy: -51.735
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: 404
Temperature: 1.150000
Total energy: -520.962657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.962657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.962657 (E_RNA)
where:
Base-Base interactions energy: -215.978
where: short stacking energy: -166.664
Base-Backbone interact. energy: -1.235
local terms energy: -303.749891
where:
bonds (distance) C4'-P energy: -74.290
bonds (distance) P-C4' energy: -89.703
flat angles C4'-P-C4' energy: -82.210
flat angles P-C4'-P energy: -43.212
tors. eta vs tors. theta energy: -14.334
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: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -495.216996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.216996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.216996 (E_RNA)
where:
Base-Base interactions energy: -185.262
where: short stacking energy: -162.076
Base-Backbone interact. energy: -1.429
local terms energy: -308.525803
where:
bonds (distance) C4'-P energy: -88.054
bonds (distance) P-C4' energy: -87.804
flat angles C4'-P-C4' energy: -79.003
flat angles P-C4'-P energy: -36.928
tors. eta vs tors. theta energy: -16.737
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: 9
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -424.556197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.556197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.556197 (E_RNA)
where:
Base-Base interactions energy: -164.480
where: short stacking energy: -142.950
Base-Backbone interact. energy: -0.044
local terms energy: -260.032391
where:
bonds (distance) C4'-P energy: -78.110
bonds (distance) P-C4' energy: -77.144
flat angles C4'-P-C4' energy: -65.125
flat angles P-C4'-P energy: -38.943
tors. eta vs tors. theta energy: -0.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -374.796551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.796551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.796551 (E_RNA)
where:
Base-Base interactions energy: -125.146
where: short stacking energy: -105.339
Base-Backbone interact. energy: -0.078
local terms energy: -249.572881
where:
bonds (distance) C4'-P energy: -72.107
bonds (distance) P-C4' energy: -81.732
flat angles C4'-P-C4' energy: -69.522
flat angles P-C4'-P energy: -49.260
tors. eta vs tors. theta energy: 23.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -354.572250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.572250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.572250 (E_RNA)
where:
Base-Base interactions energy: -106.864
where: short stacking energy: -100.365
Base-Backbone interact. energy: 1.100
local terms energy: -248.807803
where:
bonds (distance) C4'-P energy: -80.080
bonds (distance) P-C4' energy: -90.736
flat angles C4'-P-C4' energy: -66.649
flat angles P-C4'-P energy: -18.643
tors. eta vs tors. theta energy: 7.300
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: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1235.017211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.017211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.017211 (E_RNA)
where:
Base-Base interactions energy: -742.097
where: short stacking energy: -436.677
Base-Backbone interact. energy: -1.224
local terms energy: -491.696082
where:
bonds (distance) C4'-P energy: -96.105
bonds (distance) P-C4' energy: -86.815
flat angles C4'-P-C4' energy: -100.865
flat angles P-C4'-P energy: -76.202
tors. eta vs tors. theta energy: -131.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1184.578527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.578527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.578527 (E_RNA)
where:
Base-Base interactions energy: -711.106
where: short stacking energy: -429.379
Base-Backbone interact. energy: 3.674
local terms energy: -477.146548
where:
bonds (distance) C4'-P energy: -91.566
bonds (distance) P-C4' energy: -93.997
flat angles C4'-P-C4' energy: -105.253
flat angles P-C4'-P energy: -60.058
tors. eta vs tors. theta energy: -126.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -961.627010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.627010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.627010 (E_RNA)
where:
Base-Base interactions energy: -544.153
where: short stacking energy: -339.667
Base-Backbone interact. energy: -1.405
local terms energy: -416.068564
where:
bonds (distance) C4'-P energy: -87.428
bonds (distance) P-C4' energy: -90.032
flat angles C4'-P-C4' energy: -88.962
flat angles P-C4'-P energy: -55.294
tors. eta vs tors. theta energy: -94.351
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: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -776.586871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.586871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.586871 (E_RNA)
where:
Base-Base interactions energy: -408.924
where: short stacking energy: -264.683
Base-Backbone interact. energy: -1.109
local terms energy: -366.554418
where:
bonds (distance) C4'-P energy: -88.248
bonds (distance) P-C4' energy: -86.829
flat angles C4'-P-C4' energy: -86.876
flat angles P-C4'-P energy: -52.852
tors. eta vs tors. theta energy: -51.749
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: 5, replica: 5
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -739.266922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.266922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.266922 (E_RNA)
where:
Base-Base interactions energy: -386.711
where: short stacking energy: -237.166
Base-Backbone interact. energy: -1.926
local terms energy: -350.629790
where:
bonds (distance) C4'-P energy: -83.455
bonds (distance) P-C4' energy: -73.487
flat angles C4'-P-C4' energy: -83.804
flat angles P-C4'-P energy: -51.314
tors. eta vs tors. theta energy: -58.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -545.516330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.516330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.516330 (E_RNA)
where:
Base-Base interactions energy: -221.460
where: short stacking energy: -177.183
Base-Backbone interact. energy: -1.213
local terms energy: -322.843049
where:
bonds (distance) C4'-P energy: -86.863
bonds (distance) P-C4' energy: -91.012
flat angles C4'-P-C4' energy: -78.722
flat angles P-C4'-P energy: -43.294
tors. eta vs tors. theta energy: -22.953
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: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -479.897288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.897288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.897288 (E_RNA)
where:
Base-Base interactions energy: -159.132
where: short stacking energy: -137.189
Base-Backbone interact. energy: 4.120
local terms energy: -324.884738
where:
bonds (distance) C4'-P energy: -83.887
bonds (distance) P-C4' energy: -87.959
flat angles C4'-P-C4' energy: -88.344
flat angles P-C4'-P energy: -56.811
tors. eta vs tors. theta energy: -7.883
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: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -385.605857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.605857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.605857 (E_RNA)
where:
Base-Base interactions energy: -127.046
where: short stacking energy: -113.859
Base-Backbone interact. energy: -1.588
local terms energy: -256.971534
where:
bonds (distance) C4'-P energy: -77.458
bonds (distance) P-C4' energy: -80.498
flat angles C4'-P-C4' energy: -68.732
flat angles P-C4'-P energy: -39.799
tors. eta vs tors. theta energy: 9.516
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: 9, replica: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -361.144447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.144447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.144447 (E_RNA)
where:
Base-Base interactions energy: -111.387
where: short stacking energy: -98.887
Base-Backbone interact. energy: -2.069
local terms energy: -247.689144
where:
bonds (distance) C4'-P energy: -70.181
bonds (distance) P-C4' energy: -87.605
flat angles C4'-P-C4' energy: -68.110
flat angles P-C4'-P energy: -35.984
tors. eta vs tors. theta energy: 14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -367.466821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.466821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.466821 (E_RNA)
where:
Base-Base interactions energy: -114.306
where: short stacking energy: -101.471
Base-Backbone interact. energy: -0.082
local terms energy: -253.079234
where:
bonds (distance) C4'-P energy: -84.803
bonds (distance) P-C4' energy: -77.283
flat angles C4'-P-C4' energy: -57.930
flat angles P-C4'-P energy: -37.427
tors. eta vs tors. theta energy: 4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1213.736831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.736831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.736831 (E_RNA)
where:
Base-Base interactions energy: -715.376
where: short stacking energy: -451.483
Base-Backbone interact. energy: -0.380
local terms energy: -497.981034
where:
bonds (distance) C4'-P energy: -80.706
bonds (distance) P-C4' energy: -92.740
flat angles C4'-P-C4' energy: -108.270
flat angles P-C4'-P energy: -79.267
tors. eta vs tors. theta energy: -136.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1179.966515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.966515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.966515 (E_RNA)
where:
Base-Base interactions energy: -704.336
where: short stacking energy: -427.943
Base-Backbone interact. energy: -0.094
local terms energy: -475.536603
where:
bonds (distance) C4'-P energy: -76.185
bonds (distance) P-C4' energy: -98.912
flat angles C4'-P-C4' energy: -102.485
flat angles P-C4'-P energy: -70.434
tors. eta vs tors. theta energy: -127.520
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: 10
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -983.356926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.356926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.356926 (E_RNA)
where:
Base-Base interactions energy: -548.011
where: short stacking energy: -359.102
Base-Backbone interact. energy: -1.437
local terms energy: -433.908257
where:
bonds (distance) C4'-P energy: -90.343
bonds (distance) P-C4' energy: -99.422
flat angles C4'-P-C4' energy: -93.920
flat angles P-C4'-P energy: -55.299
tors. eta vs tors. theta energy: -94.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -802.160145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.160145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.160145 (E_RNA)
where:
Base-Base interactions energy: -467.192
where: short stacking energy: -283.448
Base-Backbone interact. energy: 2.408
local terms energy: -337.375928
where:
bonds (distance) C4'-P energy: -87.698
bonds (distance) P-C4' energy: -70.377
flat angles C4'-P-C4' energy: -69.096
flat angles P-C4'-P energy: -55.180
tors. eta vs tors. theta energy: -55.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -761.209632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.209632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.209632 (E_RNA)
where:
Base-Base interactions energy: -379.915
where: short stacking energy: -262.712
Base-Backbone interact. energy: 1.223
local terms energy: -382.516981
where:
bonds (distance) C4'-P energy: -86.840
bonds (distance) P-C4' energy: -95.284
flat angles C4'-P-C4' energy: -95.112
flat angles P-C4'-P energy: -51.121
tors. eta vs tors. theta energy: -54.160
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: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -556.356983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.356983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.356983 (E_RNA)
where:
Base-Base interactions energy: -241.977
where: short stacking energy: -154.372
Base-Backbone interact. energy: 0.625
local terms energy: -315.004961
where:
bonds (distance) C4'-P energy: -82.631
bonds (distance) P-C4' energy: -92.295
flat angles C4'-P-C4' energy: -75.634
flat angles P-C4'-P energy: -51.895
tors. eta vs tors. theta energy: -12.550
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: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -447.611864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.611864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.611864 (E_RNA)
where:
Base-Base interactions energy: -160.586
where: short stacking energy: -133.687
Base-Backbone interact. energy: -0.196
local terms energy: -286.829929
where:
bonds (distance) C4'-P energy: -65.777
bonds (distance) P-C4' energy: -85.602
flat angles C4'-P-C4' energy: -81.999
flat angles P-C4'-P energy: -45.551
tors. eta vs tors. theta energy: -7.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -436.929793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.929793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.929793 (E_RNA)
where:
Base-Base interactions energy: -154.953
where: short stacking energy: -121.511
Base-Backbone interact. energy: 1.723
local terms energy: -283.699709
where:
bonds (distance) C4'-P energy: -79.640
bonds (distance) P-C4' energy: -82.350
flat angles C4'-P-C4' energy: -68.514
flat angles P-C4'-P energy: -40.049
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: 9, replica: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -371.403210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.403210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.403210 (E_RNA)
where:
Base-Base interactions energy: -125.181
where: short stacking energy: -116.200
Base-Backbone interact. energy: -2.037
local terms energy: -244.184652
where:
bonds (distance) C4'-P energy: -68.032
bonds (distance) P-C4' energy: -76.392
flat angles C4'-P-C4' energy: -63.968
flat angles P-C4'-P energy: -35.601
tors. eta vs tors. theta energy: -0.191
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: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -364.921540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.921540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.921540 (E_RNA)
where:
Base-Base interactions energy: -115.157
where: short stacking energy: -109.235
Base-Backbone interact. energy: 2.348
local terms energy: -252.112231
where:
bonds (distance) C4'-P energy: -75.982
bonds (distance) P-C4' energy: -83.322
flat angles C4'-P-C4' energy: -58.883
flat angles P-C4'-P energy: -36.388
tors. eta vs tors. theta energy: 2.462
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: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1211.826265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.826265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.826265 (E_RNA)
where:
Base-Base interactions energy: -736.843
where: short stacking energy: -445.361
Base-Backbone interact. energy: -0.440
local terms energy: -474.543612
where:
bonds (distance) C4'-P energy: -67.042
bonds (distance) P-C4' energy: -96.725
flat angles C4'-P-C4' energy: -98.304
flat angles P-C4'-P energy: -74.948
tors. eta vs tors. theta energy: -137.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1160.675346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.675346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.675346 (E_RNA)
where:
Base-Base interactions energy: -683.838
where: short stacking energy: -415.246
Base-Backbone interact. energy: -1.557
local terms energy: -475.279937
where:
bonds (distance) C4'-P energy: -85.343
bonds (distance) P-C4' energy: -82.784
flat angles C4'-P-C4' energy: -104.661
flat angles P-C4'-P energy: -79.819
tors. eta vs tors. theta energy: -122.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -990.423054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.423054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.423054 (E_RNA)
where:
Base-Base interactions energy: -565.313
where: short stacking energy: -343.581
Base-Backbone interact. energy: -0.591
local terms energy: -424.519314
where:
bonds (distance) C4'-P energy: -87.950
bonds (distance) P-C4' energy: -81.539
flat angles C4'-P-C4' energy: -93.869
flat angles P-C4'-P energy: -69.366
tors. eta vs tors. theta energy: -91.795
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: 407
Temperature: 1.050000
Total energy: -773.648444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.648444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.648444 (E_RNA)
where:
Base-Base interactions energy: -414.130
where: short stacking energy: -214.303
Base-Backbone interact. energy: -1.679
local terms energy: -357.839491
where:
bonds (distance) C4'-P energy: -85.802
bonds (distance) P-C4' energy: -83.203
flat angles C4'-P-C4' energy: -96.683
flat angles P-C4'-P energy: -62.602
tors. eta vs tors. theta energy: -29.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -725.305611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.305611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.305611 (E_RNA)
where:
Base-Base interactions energy: -392.562
where: short stacking energy: -258.519
Base-Backbone interact. energy: -0.614
local terms energy: -332.129091
where:
bonds (distance) C4'-P energy: -70.206
bonds (distance) P-C4' energy: -84.151
flat angles C4'-P-C4' energy: -79.608
flat angles P-C4'-P energy: -47.219
tors. eta vs tors. theta energy: -50.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -577.982901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.982901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.982901 (E_RNA)
where:
Base-Base interactions energy: -272.332
where: short stacking energy: -197.275
Base-Backbone interact. energy: -1.772
local terms energy: -303.878427
where:
bonds (distance) C4'-P energy: -86.717
bonds (distance) P-C4' energy: -68.840
flat angles C4'-P-C4' energy: -84.914
flat angles P-C4'-P energy: -37.951
tors. eta vs tors. theta energy: -25.457
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: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -469.314799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.314799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.314799 (E_RNA)
where:
Base-Base interactions energy: -169.845
where: short stacking energy: -133.780
Base-Backbone interact. energy: 1.569
local terms energy: -301.038393
where:
bonds (distance) C4'-P energy: -88.221
bonds (distance) P-C4' energy: -85.548
flat angles C4'-P-C4' energy: -76.416
flat angles P-C4'-P energy: -36.433
tors. eta vs tors. theta energy: -14.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -492.304029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.304029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.304029 (E_RNA)
where:
Base-Base interactions energy: -190.676
where: short stacking energy: -138.504
Base-Backbone interact. energy: -2.385
local terms energy: -299.242555
where:
bonds (distance) C4'-P energy: -71.439
bonds (distance) P-C4' energy: -80.930
flat angles C4'-P-C4' energy: -76.661
flat angles P-C4'-P energy: -52.698
tors. eta vs tors. theta energy: -17.515
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: 407
Temperature: 1.300000
Total energy: -379.194337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.194337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.194337 (E_RNA)
where:
Base-Base interactions energy: -141.978
where: short stacking energy: -126.261
Base-Backbone interact. energy: 1.316
local terms energy: -238.532025
where:
bonds (distance) C4'-P energy: -79.060
bonds (distance) P-C4' energy: -75.941
flat angles C4'-P-C4' energy: -66.582
flat angles P-C4'-P energy: -23.401
tors. eta vs tors. theta energy: 6.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -361.702092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.702092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.702092 (E_RNA)
where:
Base-Base interactions energy: -119.581
where: short stacking energy: -105.370
Base-Backbone interact. energy: -0.925
local terms energy: -241.195801
where:
bonds (distance) C4'-P energy: -92.852
bonds (distance) P-C4' energy: -69.579
flat angles C4'-P-C4' energy: -57.511
flat angles P-C4'-P energy: -33.484
tors. eta vs tors. theta energy: 12.230
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: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1243.540570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.540570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.540570 (E_RNA)
where:
Base-Base interactions energy: -729.348
where: short stacking energy: -463.026
Base-Backbone interact. energy: -0.444
local terms energy: -513.748111
where:
bonds (distance) C4'-P energy: -96.148
bonds (distance) P-C4' energy: -94.483
flat angles C4'-P-C4' energy: -100.974
flat angles P-C4'-P energy: -71.307
tors. eta vs tors. theta energy: -150.836
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: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1161.245132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.245132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.245132 (E_RNA)
where:
Base-Base interactions energy: -672.932
where: short stacking energy: -395.009
Base-Backbone interact. energy: -1.150
local terms energy: -487.162317
where:
bonds (distance) C4'-P energy: -87.733
bonds (distance) P-C4' energy: -103.346
flat angles C4'-P-C4' energy: -98.976
flat angles P-C4'-P energy: -74.660
tors. eta vs tors. theta energy: -122.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -985.556146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.556146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.556146 (E_RNA)
where:
Base-Base interactions energy: -558.310
where: short stacking energy: -337.115
Base-Backbone interact. energy: -1.452
local terms energy: -425.794418
where:
bonds (distance) C4'-P energy: -91.595
bonds (distance) P-C4' energy: -90.004
flat angles C4'-P-C4' energy: -87.163
flat angles P-C4'-P energy: -61.228
tors. eta vs tors. theta energy: -95.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -833.172950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.172950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.172950 (E_RNA)
where:
Base-Base interactions energy: -457.915
where: short stacking energy: -268.580
Base-Backbone interact. energy: -1.975
local terms energy: -373.283387
where:
bonds (distance) C4'-P energy: -85.505
bonds (distance) P-C4' energy: -85.058
flat angles C4'-P-C4' energy: -85.685
flat angles P-C4'-P energy: -56.383
tors. eta vs tors. theta energy: -60.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -734.371908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.371908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.371908 (E_RNA)
where:
Base-Base interactions energy: -375.157
where: short stacking energy: -245.188
Base-Backbone interact. energy: -0.912
local terms energy: -358.302456
where:
bonds (distance) C4'-P energy: -85.292
bonds (distance) P-C4' energy: -81.330
flat angles C4'-P-C4' energy: -91.198
flat angles P-C4'-P energy: -51.627
tors. eta vs tors. theta energy: -48.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -560.937562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.937562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.937562 (E_RNA)
where:
Base-Base interactions energy: -257.199
where: short stacking energy: -192.832
Base-Backbone interact. energy: 1.016
local terms energy: -304.754424
where:
bonds (distance) C4'-P energy: -73.860
bonds (distance) P-C4' energy: -91.131
flat angles C4'-P-C4' energy: -86.172
flat angles P-C4'-P energy: -45.580
tors. eta vs tors. theta energy: -8.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -455.582486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.582486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.582486 (E_RNA)
where:
Base-Base interactions energy: -174.408
where: short stacking energy: -139.067
Base-Backbone interact. energy: 0.261
local terms energy: -281.434854
where:
bonds (distance) C4'-P energy: -66.736
bonds (distance) P-C4' energy: -84.373
flat angles C4'-P-C4' energy: -84.275
flat angles P-C4'-P energy: -39.568
tors. eta vs tors. theta energy: -6.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -423.108045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.108045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.108045 (E_RNA)
where:
Base-Base interactions energy: -158.931
where: short stacking energy: -126.561
Base-Backbone interact. energy: -2.397
local terms energy: -261.780599
where:
bonds (distance) C4'-P energy: -84.544
bonds (distance) P-C4' energy: -67.041
flat angles C4'-P-C4' energy: -80.602
flat angles P-C4'-P energy: -32.310
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: 3
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -386.490328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.490328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.490328 (E_RNA)
where:
Base-Base interactions energy: -133.051
where: short stacking energy: -82.736
Base-Backbone interact. energy: 0.345
local terms energy: -253.784172
where:
bonds (distance) C4'-P energy: -83.224
bonds (distance) P-C4' energy: -77.355
flat angles C4'-P-C4' energy: -56.239
flat angles P-C4'-P energy: -46.427
tors. eta vs tors. theta energy: 9.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -351.118125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.118125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.118125 (E_RNA)
where:
Base-Base interactions energy: -94.916
where: short stacking energy: -88.362
Base-Backbone interact. energy: -0.718
local terms energy: -255.483627
where:
bonds (distance) C4'-P energy: -82.927
bonds (distance) P-C4' energy: -69.083
flat angles C4'-P-C4' energy: -63.643
flat angles P-C4'-P energy: -50.917
tors. eta vs tors. theta energy: 11.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1261.361959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.361959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.361959 (E_RNA)
where:
Base-Base interactions energy: -749.134
where: short stacking energy: -475.904
Base-Backbone interact. energy: -0.597
local terms energy: -511.631268
where:
bonds (distance) C4'-P energy: -95.439
bonds (distance) P-C4' energy: -98.507
flat angles C4'-P-C4' energy: -103.434
flat angles P-C4'-P energy: -68.350
tors. eta vs tors. theta energy: -145.900
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: 2, replica: 6
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1136.845236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.845236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.845236 (E_RNA)
where:
Base-Base interactions energy: -660.134
where: short stacking energy: -396.976
Base-Backbone interact. energy: 1.707
local terms energy: -478.418083
where:
bonds (distance) C4'-P energy: -91.982
bonds (distance) P-C4' energy: -98.890
flat angles C4'-P-C4' energy: -96.084
flat angles P-C4'-P energy: -66.783
tors. eta vs tors. theta energy: -124.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -947.335390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.335390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.335390 (E_RNA)
where:
Base-Base interactions energy: -543.328
where: short stacking energy: -319.103
Base-Backbone interact. energy: 0.140
local terms energy: -404.147750
where:
bonds (distance) C4'-P energy: -83.969
bonds (distance) P-C4' energy: -100.046
flat angles C4'-P-C4' energy: -86.652
flat angles P-C4'-P energy: -55.778
tors. eta vs tors. theta energy: -77.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -787.345402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.345402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.345402 (E_RNA)
where:
Base-Base interactions energy: -411.250
where: short stacking energy: -252.915
Base-Backbone interact. energy: 0.974
local terms energy: -377.069151
where:
bonds (distance) C4'-P energy: -87.953
bonds (distance) P-C4' energy: -86.013
flat angles C4'-P-C4' energy: -86.162
flat angles P-C4'-P energy: -54.391
tors. eta vs tors. theta energy: -62.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -731.069021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.069021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.069021 (E_RNA)
where:
Base-Base interactions energy: -374.785
where: short stacking energy: -195.658
Base-Backbone interact. energy: -1.272
local terms energy: -355.012052
where:
bonds (distance) C4'-P energy: -85.168
bonds (distance) P-C4' energy: -90.717
flat angles C4'-P-C4' energy: -83.894
flat angles P-C4'-P energy: -55.739
tors. eta vs tors. theta energy: -39.495
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: 409
Temperature: 1.150000
Total energy: -486.675126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.675126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.675126 (E_RNA)
where:
Base-Base interactions energy: -187.715
where: short stacking energy: -160.701
Base-Backbone interact. energy: 1.460
local terms energy: -300.420781
where:
bonds (distance) C4'-P energy: -84.405
bonds (distance) P-C4' energy: -98.980
flat angles C4'-P-C4' energy: -67.779
flat angles P-C4'-P energy: -44.082
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: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -540.459783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.459783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.459783 (E_RNA)
where:
Base-Base interactions energy: -236.189
where: short stacking energy: -176.058
Base-Backbone interact. energy: 3.311
local terms energy: -307.582023
where:
bonds (distance) C4'-P energy: -81.022
bonds (distance) P-C4' energy: -73.294
flat angles C4'-P-C4' energy: -80.781
flat angles P-C4'-P energy: -44.671
tors. eta vs tors. theta energy: -27.815
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: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -399.016814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.016814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.016814 (E_RNA)
where:
Base-Base interactions energy: -138.106
where: short stacking energy: -127.619
Base-Backbone interact. energy: -0.735
local terms energy: -260.175273
where:
bonds (distance) C4'-P energy: -68.347
bonds (distance) P-C4' energy: -90.317
flat angles C4'-P-C4' energy: -51.885
flat angles P-C4'-P energy: -40.417
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: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -374.932509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.932509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.932509 (E_RNA)
where:
Base-Base interactions energy: -134.666
where: short stacking energy: -109.050
Base-Backbone interact. energy: -0.452
local terms energy: -239.814678
where:
bonds (distance) C4'-P energy: -63.744
bonds (distance) P-C4' energy: -89.410
flat angles C4'-P-C4' energy: -66.231
flat angles P-C4'-P energy: -34.420
tors. eta vs tors. theta energy: 13.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -354.216327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.216327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.216327 (E_RNA)
where:
Base-Base interactions energy: -108.727
where: short stacking energy: -108.006
Base-Backbone interact. energy: -0.724
local terms energy: -244.765038
where:
bonds (distance) C4'-P energy: -82.579
bonds (distance) P-C4' energy: -84.073
flat angles C4'-P-C4' energy: -57.879
flat angles P-C4'-P energy: -31.356
tors. eta vs tors. theta energy: 11.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1225.293230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.293230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.293230 (E_RNA)
where:
Base-Base interactions energy: -749.600
where: short stacking energy: -458.171
Base-Backbone interact. energy: -0.547
local terms energy: -475.146252
where:
bonds (distance) C4'-P energy: -85.017
bonds (distance) P-C4' energy: -92.860
flat angles C4'-P-C4' energy: -98.361
flat angles P-C4'-P energy: -67.045
tors. eta vs tors. theta energy: -131.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1129.385933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.385933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.385933 (E_RNA)
where:
Base-Base interactions energy: -643.037
where: short stacking energy: -376.245
Base-Backbone interact. energy: -0.191
local terms energy: -486.158277
where:
bonds (distance) C4'-P energy: -92.495
bonds (distance) P-C4' energy: -96.500
flat angles C4'-P-C4' energy: -106.008
flat angles P-C4'-P energy: -72.048
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: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -964.788410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.788410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.788410 (E_RNA)
where:
Base-Base interactions energy: -542.748
where: short stacking energy: -323.728
Base-Backbone interact. energy: -1.086
local terms energy: -420.954444
where:
bonds (distance) C4'-P energy: -99.704
bonds (distance) P-C4' energy: -86.972
flat angles C4'-P-C4' energy: -91.198
flat angles P-C4'-P energy: -54.818
tors. eta vs tors. theta energy: -88.263
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: 7
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -852.229673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.229673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.229673 (E_RNA)
where:
Base-Base interactions energy: -456.285
where: short stacking energy: -273.548
Base-Backbone interact. energy: -0.902
local terms energy: -395.043190
where:
bonds (distance) C4'-P energy: -91.140
bonds (distance) P-C4' energy: -89.396
flat angles C4'-P-C4' energy: -88.193
flat angles P-C4'-P energy: -57.947
tors. eta vs tors. theta energy: -68.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -695.370280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.370280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.370280 (E_RNA)
where:
Base-Base interactions energy: -357.993
where: short stacking energy: -210.457
Base-Backbone interact. energy: -1.225
local terms energy: -336.152612
where:
bonds (distance) C4'-P energy: -82.280
bonds (distance) P-C4' energy: -76.589
flat angles C4'-P-C4' energy: -79.017
flat angles P-C4'-P energy: -52.278
tors. eta vs tors. theta energy: -45.988
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: 410
Temperature: 1.150000
Total energy: -508.778643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.778643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.778643 (E_RNA)
where:
Base-Base interactions energy: -195.622
where: short stacking energy: -169.891
Base-Backbone interact. energy: -1.394
local terms energy: -311.763608
where:
bonds (distance) C4'-P energy: -80.900
bonds (distance) P-C4' energy: -75.552
flat angles C4'-P-C4' energy: -72.682
flat angles P-C4'-P energy: -59.777
tors. eta vs tors. theta energy: -22.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -528.686326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.686326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.686326 (E_RNA)
where:
Base-Base interactions energy: -207.186
where: short stacking energy: -150.622
Base-Backbone interact. energy: 2.564
local terms energy: -324.064966
where:
bonds (distance) C4'-P energy: -84.896
bonds (distance) P-C4' energy: -92.120
flat angles C4'-P-C4' energy: -71.014
flat angles P-C4'-P energy: -61.329
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -406.731504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.731504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.731504 (E_RNA)
where:
Base-Base interactions energy: -142.251
where: short stacking energy: -119.758
Base-Backbone interact. energy: 0.282
local terms energy: -264.761883
where:
bonds (distance) C4'-P energy: -72.920
bonds (distance) P-C4' energy: -85.581
flat angles C4'-P-C4' energy: -64.822
flat angles P-C4'-P energy: -34.129
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -389.975579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.975579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.975579 (E_RNA)
where:
Base-Base interactions energy: -127.973
where: short stacking energy: -117.012
Base-Backbone interact. energy: 1.410
local terms energy: -263.412367
where:
bonds (distance) C4'-P energy: -73.673
bonds (distance) P-C4' energy: -75.181
flat angles C4'-P-C4' energy: -66.304
flat angles P-C4'-P energy: -49.617
tors. eta vs tors. theta energy: 1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -362.778508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.778508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.778508 (E_RNA)
where:
Base-Base interactions energy: -120.947
where: short stacking energy: -98.215
Base-Backbone interact. energy: -0.536
local terms energy: -241.295668
where:
bonds (distance) C4'-P energy: -68.438
bonds (distance) P-C4' energy: -80.998
flat angles C4'-P-C4' energy: -70.044
flat angles P-C4'-P energy: -42.376
tors. eta vs tors. theta energy: 20.561
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: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1252.183249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.183249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.183249 (E_RNA)
where:
Base-Base interactions energy: -735.201
where: short stacking energy: -458.712
Base-Backbone interact. energy: -0.983
local terms energy: -515.999669
where:
bonds (distance) C4'-P energy: -91.478
bonds (distance) P-C4' energy: -101.618
flat angles C4'-P-C4' energy: -103.982
flat angles P-C4'-P energy: -72.403
tors. eta vs tors. theta energy: -146.518
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: 2, replica: 6
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1125.375054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.375054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.375054 (E_RNA)
where:
Base-Base interactions energy: -658.475
where: short stacking energy: -386.404
Base-Backbone interact. energy: -1.784
local terms energy: -465.115643
where:
bonds (distance) C4'-P energy: -98.431
bonds (distance) P-C4' energy: -91.024
flat angles C4'-P-C4' energy: -93.518
flat angles P-C4'-P energy: -66.930
tors. eta vs tors. theta energy: -115.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -928.947014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.947014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.947014 (E_RNA)
where:
Base-Base interactions energy: -529.718
where: short stacking energy: -312.030
Base-Backbone interact. energy: 0.134
local terms energy: -399.362413
where:
bonds (distance) C4'-P energy: -100.688
bonds (distance) P-C4' energy: -82.669
flat angles C4'-P-C4' energy: -92.444
flat angles P-C4'-P energy: -51.676
tors. eta vs tors. theta energy: -71.885
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: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -802.686568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.686568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.686568 (E_RNA)
where:
Base-Base interactions energy: -446.181
where: short stacking energy: -275.019
Base-Backbone interact. energy: -0.692
local terms energy: -355.813597
where:
bonds (distance) C4'-P energy: -86.861
bonds (distance) P-C4' energy: -87.401
flat angles C4'-P-C4' energy: -87.235
flat angles P-C4'-P energy: -47.782
tors. eta vs tors. theta energy: -46.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -755.150509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.150509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.150509 (E_RNA)
where:
Base-Base interactions energy: -393.528
where: short stacking energy: -231.319
Base-Backbone interact. energy: -2.381
local terms energy: -359.242317
where:
bonds (distance) C4'-P energy: -72.598
bonds (distance) P-C4' energy: -88.003
flat angles C4'-P-C4' energy: -89.258
flat angles P-C4'-P energy: -58.565
tors. eta vs tors. theta energy: -50.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -552.987031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.987031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.987031 (E_RNA)
where:
Base-Base interactions energy: -226.316
where: short stacking energy: -167.248
Base-Backbone interact. energy: -0.228
local terms energy: -326.443458
where:
bonds (distance) C4'-P energy: -76.078
bonds (distance) P-C4' energy: -96.910
flat angles C4'-P-C4' energy: -84.285
flat angles P-C4'-P energy: -59.306
tors. eta vs tors. theta energy: -9.864
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: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -466.582348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.582348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.582348 (E_RNA)
where:
Base-Base interactions energy: -162.270
where: short stacking energy: -155.338
Base-Backbone interact. energy: -0.497
local terms energy: -303.815545
where:
bonds (distance) C4'-P energy: -74.893
bonds (distance) P-C4' energy: -82.704
flat angles C4'-P-C4' energy: -78.726
flat angles P-C4'-P energy: -44.423
tors. eta vs tors. theta energy: -23.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -398.649332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.649332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.649332 (E_RNA)
where:
Base-Base interactions energy: -141.867
where: short stacking energy: -125.451
Base-Backbone interact. energy: 3.048
local terms energy: -259.830073
where:
bonds (distance) C4'-P energy: -72.290
bonds (distance) P-C4' energy: -83.717
flat angles C4'-P-C4' energy: -73.519
flat angles P-C4'-P energy: -48.093
tors. eta vs tors. theta energy: 17.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -398.566255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.566255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.566255 (E_RNA)
where:
Base-Base interactions energy: -124.413
where: short stacking energy: -115.450
Base-Backbone interact. energy: 0.222
local terms energy: -274.375787
where:
bonds (distance) C4'-P energy: -85.447
bonds (distance) P-C4' energy: -81.731
flat angles C4'-P-C4' energy: -69.287
flat angles P-C4'-P energy: -26.656
tors. eta vs tors. theta energy: -11.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -362.902209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.902209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.902209 (E_RNA)
where:
Base-Base interactions energy: -109.910
where: short stacking energy: -96.252
Base-Backbone interact. energy: -1.302
local terms energy: -251.690045
where:
bonds (distance) C4'-P energy: -67.392
bonds (distance) P-C4' energy: -79.256
flat angles C4'-P-C4' energy: -64.833
flat angles P-C4'-P energy: -42.886
tors. eta vs tors. theta energy: 2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1262.152859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.152859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.152859 (E_RNA)
where:
Base-Base interactions energy: -752.721
where: short stacking energy: -462.336
Base-Backbone interact. energy: -0.185
local terms energy: -509.245982
where:
bonds (distance) C4'-P energy: -86.925
bonds (distance) P-C4' energy: -99.243
flat angles C4'-P-C4' energy: -106.004
flat angles P-C4'-P energy: -67.280
tors. eta vs tors. theta energy: -149.794
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: 6
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1104.717168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.717168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.717168 (E_RNA)
where:
Base-Base interactions energy: -665.561
where: short stacking energy: -391.509
Base-Backbone interact. energy: -1.888
local terms energy: -437.267688
where:
bonds (distance) C4'-P energy: -83.538
bonds (distance) P-C4' energy: -93.142
flat angles C4'-P-C4' energy: -98.377
flat angles P-C4'-P energy: -56.749
tors. eta vs tors. theta energy: -105.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -974.164917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.164917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.164917 (E_RNA)
where:
Base-Base interactions energy: -536.274
where: short stacking energy: -345.609
Base-Backbone interact. energy: 0.419
local terms energy: -438.309370
where:
bonds (distance) C4'-P energy: -99.410
bonds (distance) P-C4' energy: -87.970
flat angles C4'-P-C4' energy: -100.489
flat angles P-C4'-P energy: -65.654
tors. eta vs tors. theta energy: -84.787
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: 7
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -863.682371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.682371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.682371 (E_RNA)
where:
Base-Base interactions energy: -464.297
where: short stacking energy: -289.024
Base-Backbone interact. energy: 0.225
local terms energy: -399.610702
where:
bonds (distance) C4'-P energy: -80.565
bonds (distance) P-C4' energy: -105.602
flat angles C4'-P-C4' energy: -93.905
flat angles P-C4'-P energy: -57.523
tors. eta vs tors. theta energy: -62.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -730.822707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.822707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.822707 (E_RNA)
where:
Base-Base interactions energy: -357.319
where: short stacking energy: -229.755
Base-Backbone interact. energy: 0.723
local terms energy: -374.226942
where:
bonds (distance) C4'-P energy: -88.502
bonds (distance) P-C4' energy: -91.310
flat angles C4'-P-C4' energy: -88.344
flat angles P-C4'-P energy: -57.797
tors. eta vs tors. theta energy: -48.274
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: 6, replica: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -558.414389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.414389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.414389 (E_RNA)
where:
Base-Base interactions energy: -221.802
where: short stacking energy: -168.638
Base-Backbone interact. energy: 2.812
local terms energy: -339.424662
where:
bonds (distance) C4'-P energy: -92.305
bonds (distance) P-C4' energy: -86.356
flat angles C4'-P-C4' energy: -87.457
flat angles P-C4'-P energy: -50.110
tors. eta vs tors. theta energy: -23.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -491.040359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.040359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.040359 (E_RNA)
where:
Base-Base interactions energy: -199.885
where: short stacking energy: -179.270
Base-Backbone interact. energy: -0.522
local terms energy: -290.632934
where:
bonds (distance) C4'-P energy: -76.538
bonds (distance) P-C4' energy: -79.236
flat angles C4'-P-C4' energy: -75.974
flat angles P-C4'-P energy: -31.966
tors. eta vs tors. theta energy: -26.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -421.163427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.163427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.163427 (E_RNA)
where:
Base-Base interactions energy: -161.090
where: short stacking energy: -135.811
Base-Backbone interact. energy: -1.304
local terms energy: -258.769940
where:
bonds (distance) C4'-P energy: -69.291
bonds (distance) P-C4' energy: -76.181
flat angles C4'-P-C4' energy: -78.103
flat angles P-C4'-P energy: -39.288
tors. eta vs tors. theta energy: 4.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -384.039136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.039136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.039136 (E_RNA)
where:
Base-Base interactions energy: -157.741
where: short stacking energy: -110.509
Base-Backbone interact. energy: 1.326
local terms energy: -227.624221
where:
bonds (distance) C4'-P energy: -66.273
bonds (distance) P-C4' energy: -69.692
flat angles C4'-P-C4' energy: -55.795
flat angles P-C4'-P energy: -36.196
tors. eta vs tors. theta energy: 0.331
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: 4
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -338.545836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.545836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.545836 (E_RNA)
where:
Base-Base interactions energy: -101.894
where: short stacking energy: -88.893
Base-Backbone interact. energy: 0.917
local terms energy: -237.569421
where:
bonds (distance) C4'-P energy: -70.331
bonds (distance) P-C4' energy: -90.078
flat angles C4'-P-C4' energy: -67.923
flat angles P-C4'-P energy: -32.754
tors. eta vs tors. theta energy: 23.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1261.759131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.759131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.759131 (E_RNA)
where:
Base-Base interactions energy: -736.749
where: short stacking energy: -442.344
Base-Backbone interact. energy: -0.296
local terms energy: -524.713558
where:
bonds (distance) C4'-P energy: -94.354
bonds (distance) P-C4' energy: -108.345
flat angles C4'-P-C4' energy: -105.876
flat angles P-C4'-P energy: -71.846
tors. eta vs tors. theta energy: -144.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1088.101207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.101207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.101207 (E_RNA)
where:
Base-Base interactions energy: -634.453
where: short stacking energy: -355.711
Base-Backbone interact. energy: -0.361
local terms energy: -453.287407
where:
bonds (distance) C4'-P energy: -92.433
bonds (distance) P-C4' energy: -96.736
flat angles C4'-P-C4' energy: -87.184
flat angles P-C4'-P energy: -64.808
tors. eta vs tors. theta energy: -112.127
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: 10
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -905.787663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.787663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.787663 (E_RNA)
where:
Base-Base interactions energy: -505.527
where: short stacking energy: -321.748
Base-Backbone interact. energy: -1.611
local terms energy: -398.650040
where:
bonds (distance) C4'-P energy: -72.047
bonds (distance) P-C4' energy: -94.213
flat angles C4'-P-C4' energy: -86.489
flat angles P-C4'-P energy: -54.446
tors. eta vs tors. theta energy: -91.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -831.290536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.290536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.290536 (E_RNA)
where:
Base-Base interactions energy: -463.573
where: short stacking energy: -288.101
Base-Backbone interact. energy: -0.848
local terms energy: -366.869613
where:
bonds (distance) C4'-P energy: -71.505
bonds (distance) P-C4' energy: -86.592
flat angles C4'-P-C4' energy: -80.899
flat angles P-C4'-P energy: -45.722
tors. eta vs tors. theta energy: -82.152
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: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -710.607802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.607802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.607802 (E_RNA)
where:
Base-Base interactions energy: -361.795
where: short stacking energy: -224.335
Base-Backbone interact. energy: 1.119
local terms energy: -349.931999
where:
bonds (distance) C4'-P energy: -72.968
bonds (distance) P-C4' energy: -89.961
flat angles C4'-P-C4' energy: -93.123
flat angles P-C4'-P energy: -62.931
tors. eta vs tors. theta energy: -30.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -546.607064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.607064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.607064 (E_RNA)
where:
Base-Base interactions energy: -256.936
where: short stacking energy: -165.868
Base-Backbone interact. energy: 0.034
local terms energy: -289.704517
where:
bonds (distance) C4'-P energy: -75.905
bonds (distance) P-C4' energy: -82.720
flat angles C4'-P-C4' energy: -72.594
flat angles P-C4'-P energy: -43.611
tors. eta vs tors. theta energy: -14.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -469.898188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.898188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.898188 (E_RNA)
where:
Base-Base interactions energy: -187.560
where: short stacking energy: -167.745
Base-Backbone interact. energy: 0.590
local terms energy: -282.927975
where:
bonds (distance) C4'-P energy: -94.534
bonds (distance) P-C4' energy: -89.614
flat angles C4'-P-C4' energy: -50.829
flat angles P-C4'-P energy: -33.740
tors. eta vs tors. theta energy: -14.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -402.639704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.639704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.639704 (E_RNA)
where:
Base-Base interactions energy: -159.335
where: short stacking energy: -143.823
Base-Backbone interact. energy: 1.076
local terms energy: -244.380241
where:
bonds (distance) C4'-P energy: -65.619
bonds (distance) P-C4' energy: -69.214
flat angles C4'-P-C4' energy: -72.184
flat angles P-C4'-P energy: -34.254
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: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -386.284766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.284766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.284766 (E_RNA)
where:
Base-Base interactions energy: -111.612
where: short stacking energy: -99.605
Base-Backbone interact. energy: 0.043
local terms energy: -274.715876
where:
bonds (distance) C4'-P energy: -88.724
bonds (distance) P-C4' energy: -80.551
flat angles C4'-P-C4' energy: -63.978
flat angles P-C4'-P energy: -41.713
tors. eta vs tors. theta energy: 0.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -350.145400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.145400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.145400 (E_RNA)
where:
Base-Base interactions energy: -113.404
where: short stacking energy: -104.783
Base-Backbone interact. energy: 1.900
local terms energy: -238.641600
where:
bonds (distance) C4'-P energy: -59.018
bonds (distance) P-C4' energy: -97.873
flat angles C4'-P-C4' energy: -62.126
flat angles P-C4'-P energy: -33.249
tors. eta vs tors. theta energy: 13.625
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: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1263.389092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.389092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.389092 (E_RNA)
where:
Base-Base interactions energy: -751.709
where: short stacking energy: -466.304
Base-Backbone interact. energy: -1.657
local terms energy: -510.022941
where:
bonds (distance) C4'-P energy: -96.864
bonds (distance) P-C4' energy: -84.253
flat angles C4'-P-C4' energy: -105.913
flat angles P-C4'-P energy: -73.847
tors. eta vs tors. theta energy: -149.146
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: 6
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1145.628107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.628107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.628107 (E_RNA)
where:
Base-Base interactions energy: -662.204
where: short stacking energy: -400.484
Base-Backbone interact. energy: -1.682
local terms energy: -481.742712
where:
bonds (distance) C4'-P energy: -96.476
bonds (distance) P-C4' energy: -89.765
flat angles C4'-P-C4' energy: -105.397
flat angles P-C4'-P energy: -74.382
tors. eta vs tors. theta energy: -115.722
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: 10
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -877.107805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.107805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.107805 (E_RNA)
where:
Base-Base interactions energy: -471.306
where: short stacking energy: -305.900
Base-Backbone interact. energy: 0.573
local terms energy: -406.374247
where:
bonds (distance) C4'-P energy: -81.690
bonds (distance) P-C4' energy: -81.320
flat angles C4'-P-C4' energy: -99.639
flat angles P-C4'-P energy: -65.930
tors. eta vs tors. theta energy: -77.795
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: 414
Temperature: 1.050000
Total energy: -852.575629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.575629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.575629 (E_RNA)
where:
Base-Base interactions energy: -476.598
where: short stacking energy: -274.328
Base-Backbone interact. energy: -0.557
local terms energy: -375.420916
where:
bonds (distance) C4'-P energy: -79.601
bonds (distance) P-C4' energy: -85.655
flat angles C4'-P-C4' energy: -90.221
flat angles P-C4'-P energy: -55.625
tors. eta vs tors. theta energy: -64.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -687.825305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.825305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.825305 (E_RNA)
where:
Base-Base interactions energy: -333.429
where: short stacking energy: -243.491
Base-Backbone interact. energy: -0.926
local terms energy: -353.470745
where:
bonds (distance) C4'-P energy: -89.411
bonds (distance) P-C4' energy: -75.474
flat angles C4'-P-C4' energy: -75.728
flat angles P-C4'-P energy: -56.538
tors. eta vs tors. theta energy: -56.320
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: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -510.711142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.711142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.711142 (E_RNA)
where:
Base-Base interactions energy: -217.754
where: short stacking energy: -167.198
Base-Backbone interact. energy: -2.511
local terms energy: -290.446229
where:
bonds (distance) C4'-P energy: -79.673
bonds (distance) P-C4' energy: -86.350
flat angles C4'-P-C4' energy: -72.504
flat angles P-C4'-P energy: -47.620
tors. eta vs tors. theta energy: -4.300
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: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -468.856577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.856577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.856577 (E_RNA)
where:
Base-Base interactions energy: -172.719
where: short stacking energy: -143.873
Base-Backbone interact. energy: 0.109
local terms energy: -296.246412
where:
bonds (distance) C4'-P energy: -75.875
bonds (distance) P-C4' energy: -93.441
flat angles C4'-P-C4' energy: -71.377
flat angles P-C4'-P energy: -47.153
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: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -396.436667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.436667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.436667 (E_RNA)
where:
Base-Base interactions energy: -125.255
where: short stacking energy: -118.832
Base-Backbone interact. energy: -1.701
local terms energy: -269.480524
where:
bonds (distance) C4'-P energy: -74.368
bonds (distance) P-C4' energy: -90.415
flat angles C4'-P-C4' energy: -75.845
flat angles P-C4'-P energy: -23.163
tors. eta vs tors. theta energy: -5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -399.743649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.743649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.743649 (E_RNA)
where:
Base-Base interactions energy: -134.483
where: short stacking energy: -122.117
Base-Backbone interact. energy: -0.887
local terms energy: -264.373859
where:
bonds (distance) C4'-P energy: -70.638
bonds (distance) P-C4' energy: -73.641
flat angles C4'-P-C4' energy: -68.133
flat angles P-C4'-P energy: -49.969
tors. eta vs tors. theta energy: -1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -366.189194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.189194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.189194 (E_RNA)
where:
Base-Base interactions energy: -105.207
where: short stacking energy: -85.619
Base-Backbone interact. energy: -1.239
local terms energy: -259.743220
where:
bonds (distance) C4'-P energy: -66.302
bonds (distance) P-C4' energy: -91.992
flat angles C4'-P-C4' energy: -76.562
flat angles P-C4'-P energy: -38.745
tors. eta vs tors. theta energy: 13.858
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: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1211.120344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.120344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.120344 (E_RNA)
where:
Base-Base interactions energy: -709.194
where: short stacking energy: -427.303
Base-Backbone interact. energy: -0.973
local terms energy: -500.953396
where:
bonds (distance) C4'-P energy: -87.310
bonds (distance) P-C4' energy: -100.021
flat angles C4'-P-C4' energy: -97.784
flat angles P-C4'-P energy: -81.902
tors. eta vs tors. theta energy: -133.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1109.003255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.003255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.003255 (E_RNA)
where:
Base-Base interactions energy: -658.588
where: short stacking energy: -384.196
Base-Backbone interact. energy: -0.808
local terms energy: -449.607730
where:
bonds (distance) C4'-P energy: -73.462
bonds (distance) P-C4' energy: -98.104
flat angles C4'-P-C4' energy: -101.444
flat angles P-C4'-P energy: -62.934
tors. eta vs tors. theta energy: -113.664
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: 10
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -955.556136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.556136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.556136 (E_RNA)
where:
Base-Base interactions energy: -519.798
where: short stacking energy: -323.191
Base-Backbone interact. energy: 1.733
local terms energy: -437.490627
where:
bonds (distance) C4'-P energy: -83.626
bonds (distance) P-C4' energy: -96.123
flat angles C4'-P-C4' energy: -102.238
flat angles P-C4'-P energy: -64.824
tors. eta vs tors. theta energy: -90.679
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: 415
Temperature: 1.050000
Total energy: -848.088477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.088477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.088477 (E_RNA)
where:
Base-Base interactions energy: -466.589
where: short stacking energy: -270.199
Base-Backbone interact. energy: -0.978
local terms energy: -380.521908
where:
bonds (distance) C4'-P energy: -81.120
bonds (distance) P-C4' energy: -98.750
flat angles C4'-P-C4' energy: -87.949
flat angles P-C4'-P energy: -53.681
tors. eta vs tors. theta energy: -59.022
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: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -696.271606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.271606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.271606 (E_RNA)
where:
Base-Base interactions energy: -362.173
where: short stacking energy: -245.357
Base-Backbone interact. energy: -1.428
local terms energy: -332.670703
where:
bonds (distance) C4'-P energy: -76.557
bonds (distance) P-C4' energy: -87.287
flat angles C4'-P-C4' energy: -75.399
flat angles P-C4'-P energy: -34.876
tors. eta vs tors. theta energy: -58.551
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: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -545.250853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.250853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.250853 (E_RNA)
where:
Base-Base interactions energy: -242.691
where: short stacking energy: -177.795
Base-Backbone interact. energy: -1.212
local terms energy: -301.347937
where:
bonds (distance) C4'-P energy: -94.296
bonds (distance) P-C4' energy: -79.675
flat angles C4'-P-C4' energy: -60.079
flat angles P-C4'-P energy: -37.226
tors. eta vs tors. theta energy: -30.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -460.042114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.042114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.042114 (E_RNA)
where:
Base-Base interactions energy: -156.813
where: short stacking energy: -145.835
Base-Backbone interact. energy: 3.384
local terms energy: -306.612464
where:
bonds (distance) C4'-P energy: -84.337
bonds (distance) P-C4' energy: -81.823
flat angles C4'-P-C4' energy: -83.314
flat angles P-C4'-P energy: -46.584
tors. eta vs tors. theta energy: -10.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -410.118415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.118415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.118415 (E_RNA)
where:
Base-Base interactions energy: -134.658
where: short stacking energy: -125.504
Base-Backbone interact. energy: 3.549
local terms energy: -279.009622
where:
bonds (distance) C4'-P energy: -72.444
bonds (distance) P-C4' energy: -80.817
flat angles C4'-P-C4' energy: -68.474
flat angles P-C4'-P energy: -56.070
tors. eta vs tors. theta energy: -1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -386.893742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.893742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.893742 (E_RNA)
where:
Base-Base interactions energy: -128.101
where: short stacking energy: -118.578
Base-Backbone interact. energy: 0.360
local terms energy: -259.151994
where:
bonds (distance) C4'-P energy: -90.281
bonds (distance) P-C4' energy: -83.512
flat angles C4'-P-C4' energy: -66.264
flat angles P-C4'-P energy: -31.124
tors. eta vs tors. theta energy: 12.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -342.582286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.582286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.582286 (E_RNA)
where:
Base-Base interactions energy: -104.109
where: short stacking energy: -77.937
Base-Backbone interact. energy: 0.934
local terms energy: -239.406604
where:
bonds (distance) C4'-P energy: -66.309
bonds (distance) P-C4' energy: -77.730
flat angles C4'-P-C4' energy: -72.292
flat angles P-C4'-P energy: -27.632
tors. eta vs tors. theta energy: 4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1218.002102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.002102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.002102 (E_RNA)
where:
Base-Base interactions energy: -717.048
where: short stacking energy: -435.086
Base-Backbone interact. energy: -0.574
local terms energy: -500.380575
where:
bonds (distance) C4'-P energy: -93.577
bonds (distance) P-C4' energy: -94.161
flat angles C4'-P-C4' energy: -107.686
flat angles P-C4'-P energy: -67.954
tors. eta vs tors. theta energy: -137.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1100.034477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.034477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.034477 (E_RNA)
where:
Base-Base interactions energy: -649.981
where: short stacking energy: -398.682
Base-Backbone interact. energy: -0.310
local terms energy: -449.743714
where:
bonds (distance) C4'-P energy: -87.178
bonds (distance) P-C4' energy: -93.130
flat angles C4'-P-C4' energy: -94.869
flat angles P-C4'-P energy: -69.471
tors. eta vs tors. theta energy: -105.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -922.558733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.558733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.558733 (E_RNA)
where:
Base-Base interactions energy: -516.977
where: short stacking energy: -305.261
Base-Backbone interact. energy: -2.133
local terms energy: -403.448846
where:
bonds (distance) C4'-P energy: -86.886
bonds (distance) P-C4' energy: -84.604
flat angles C4'-P-C4' energy: -97.770
flat angles P-C4'-P energy: -58.474
tors. eta vs tors. theta energy: -75.715
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: 7
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -855.933105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.933105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.933105 (E_RNA)
where:
Base-Base interactions energy: -484.956
where: short stacking energy: -276.848
Base-Backbone interact. energy: -1.094
local terms energy: -369.883101
where:
bonds (distance) C4'-P energy: -75.395
bonds (distance) P-C4' energy: -104.350
flat angles C4'-P-C4' energy: -72.164
flat angles P-C4'-P energy: -58.242
tors. eta vs tors. theta energy: -59.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -684.072553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.072553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.072553 (E_RNA)
where:
Base-Base interactions energy: -325.552
where: short stacking energy: -222.194
Base-Backbone interact. energy: -2.130
local terms energy: -356.390850
where:
bonds (distance) C4'-P energy: -72.626
bonds (distance) P-C4' energy: -95.996
flat angles C4'-P-C4' energy: -95.727
flat angles P-C4'-P energy: -51.702
tors. eta vs tors. theta energy: -40.339
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: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -550.141371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.141371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.141371 (E_RNA)
where:
Base-Base interactions energy: -224.692
where: short stacking energy: -195.564
Base-Backbone interact. energy: -0.369
local terms energy: -325.079769
where:
bonds (distance) C4'-P energy: -80.596
bonds (distance) P-C4' energy: -81.729
flat angles C4'-P-C4' energy: -75.164
flat angles P-C4'-P energy: -55.350
tors. eta vs tors. theta energy: -32.239
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: 416
Temperature: 1.200000
Total energy: -458.221402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.221402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.221402 (E_RNA)
where:
Base-Base interactions energy: -158.728
where: short stacking energy: -134.686
Base-Backbone interact. energy: 1.877
local terms energy: -301.370024
where:
bonds (distance) C4'-P energy: -68.353
bonds (distance) P-C4' energy: -87.102
flat angles C4'-P-C4' energy: -82.568
flat angles P-C4'-P energy: -54.892
tors. eta vs tors. theta energy: -8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -436.472760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.472760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.472760 (E_RNA)
where:
Base-Base interactions energy: -157.067
where: short stacking energy: -128.744
Base-Backbone interact. energy: -0.360
local terms energy: -279.045829
where:
bonds (distance) C4'-P energy: -73.219
bonds (distance) P-C4' energy: -72.742
flat angles C4'-P-C4' energy: -74.061
flat angles P-C4'-P energy: -52.090
tors. eta vs tors. theta energy: -6.933
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: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -383.343321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.343321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.343321 (E_RNA)
where:
Base-Base interactions energy: -142.747
where: short stacking energy: -119.642
Base-Backbone interact. energy: -1.261
local terms energy: -239.334813
where:
bonds (distance) C4'-P energy: -58.661
bonds (distance) P-C4' energy: -71.064
flat angles C4'-P-C4' energy: -68.054
flat angles P-C4'-P energy: -47.253
tors. eta vs tors. theta energy: 5.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -357.179440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.179440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.179440 (E_RNA)
where:
Base-Base interactions energy: -117.434
where: short stacking energy: -114.136
Base-Backbone interact. energy: 5.222
local terms energy: -244.966549
where:
bonds (distance) C4'-P energy: -82.795
bonds (distance) P-C4' energy: -75.997
flat angles C4'-P-C4' energy: -59.976
flat angles P-C4'-P energy: -44.436
tors. eta vs tors. theta energy: 18.238
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: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1210.516857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.516857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.516857 (E_RNA)
where:
Base-Base interactions energy: -696.454
where: short stacking energy: -428.118
Base-Backbone interact. energy: -0.247
local terms energy: -513.815183
where:
bonds (distance) C4'-P energy: -104.925
bonds (distance) P-C4' energy: -94.172
flat angles C4'-P-C4' energy: -106.868
flat angles P-C4'-P energy: -73.680
tors. eta vs tors. theta energy: -134.171
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: 6
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1044.169759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.169759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.169759 (E_RNA)
where:
Base-Base interactions energy: -583.147
where: short stacking energy: -347.227
Base-Backbone interact. energy: -1.024
local terms energy: -459.999049
where:
bonds (distance) C4'-P energy: -97.491
bonds (distance) P-C4' energy: -94.169
flat angles C4'-P-C4' energy: -102.104
flat angles P-C4'-P energy: -53.722
tors. eta vs tors. theta energy: -112.512
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: 10
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -948.648904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.648904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.648904 (E_RNA)
where:
Base-Base interactions energy: -526.630
where: short stacking energy: -293.126
Base-Backbone interact. energy: 0.663
local terms energy: -422.682245
where:
bonds (distance) C4'-P energy: -93.468
bonds (distance) P-C4' energy: -92.795
flat angles C4'-P-C4' energy: -98.832
flat angles P-C4'-P energy: -69.044
tors. eta vs tors. theta energy: -68.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -853.238977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.238977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.238977 (E_RNA)
where:
Base-Base interactions energy: -457.725
where: short stacking energy: -261.055
Base-Backbone interact. energy: 1.550
local terms energy: -397.063796
where:
bonds (distance) C4'-P energy: -81.821
bonds (distance) P-C4' energy: -93.993
flat angles C4'-P-C4' energy: -96.100
flat angles P-C4'-P energy: -62.324
tors. eta vs tors. theta energy: -62.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -658.963821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.963821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.963821 (E_RNA)
where:
Base-Base interactions energy: -323.058
where: short stacking energy: -205.836
Base-Backbone interact. energy: -1.968
local terms energy: -333.937703
where:
bonds (distance) C4'-P energy: -82.196
bonds (distance) P-C4' energy: -83.248
flat angles C4'-P-C4' energy: -78.442
flat angles P-C4'-P energy: -57.924
tors. eta vs tors. theta energy: -32.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -545.772115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.772115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.772115 (E_RNA)
where:
Base-Base interactions energy: -211.553
where: short stacking energy: -186.912
Base-Backbone interact. energy: 1.055
local terms energy: -335.274154
where:
bonds (distance) C4'-P energy: -84.740
bonds (distance) P-C4' energy: -86.903
flat angles C4'-P-C4' energy: -81.881
flat angles P-C4'-P energy: -46.363
tors. eta vs tors. theta energy: -35.387
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: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -443.611596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.611596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.611596 (E_RNA)
where:
Base-Base interactions energy: -143.594
where: short stacking energy: -126.659
Base-Backbone interact. energy: 2.013
local terms energy: -302.030448
where:
bonds (distance) C4'-P energy: -88.001
bonds (distance) P-C4' energy: -97.102
flat angles C4'-P-C4' energy: -69.963
flat angles P-C4'-P energy: -40.964
tors. eta vs tors. theta energy: -6.002
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: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -425.545548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.545548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.545548 (E_RNA)
where:
Base-Base interactions energy: -158.430
where: short stacking energy: -114.511
Base-Backbone interact. energy: 0.795
local terms energy: -267.910096
where:
bonds (distance) C4'-P energy: -81.161
bonds (distance) P-C4' energy: -90.460
flat angles C4'-P-C4' energy: -68.396
flat angles P-C4'-P energy: -24.484
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -373.564339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.564339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.564339 (E_RNA)
where:
Base-Base interactions energy: -110.518
where: short stacking energy: -88.037
Base-Backbone interact. energy: -1.541
local terms energy: -261.505390
where:
bonds (distance) C4'-P energy: -69.573
bonds (distance) P-C4' energy: -88.840
flat angles C4'-P-C4' energy: -73.966
flat angles P-C4'-P energy: -36.343
tors. eta vs tors. theta energy: 7.217
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: 4
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -332.041714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.041714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.041714 (E_RNA)
where:
Base-Base interactions energy: -113.330
where: short stacking energy: -101.937
Base-Backbone interact. energy: -0.539
local terms energy: -218.172608
where:
bonds (distance) C4'-P energy: -72.578
bonds (distance) P-C4' energy: -83.211
flat angles C4'-P-C4' energy: -50.669
flat angles P-C4'-P energy: -33.658
tors. eta vs tors. theta energy: 21.944
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: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1255.750054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.750054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.750054 (E_RNA)
where:
Base-Base interactions energy: -761.591
where: short stacking energy: -471.459
Base-Backbone interact. energy: -0.985
local terms energy: -493.174383
where:
bonds (distance) C4'-P energy: -88.871
bonds (distance) P-C4' energy: -96.262
flat angles C4'-P-C4' energy: -103.800
flat angles P-C4'-P energy: -62.763
tors. eta vs tors. theta energy: -141.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1081.505595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.505595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.505595 (E_RNA)
where:
Base-Base interactions energy: -641.101
where: short stacking energy: -404.582
Base-Backbone interact. energy: -1.094
local terms energy: -439.310514
where:
bonds (distance) C4'-P energy: -86.426
bonds (distance) P-C4' energy: -92.922
flat angles C4'-P-C4' energy: -90.629
flat angles P-C4'-P energy: -60.626
tors. eta vs tors. theta energy: -108.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -939.851049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.851049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.851049 (E_RNA)
where:
Base-Base interactions energy: -524.180
where: short stacking energy: -324.478
Base-Backbone interact. energy: -2.760
local terms energy: -412.910587
where:
bonds (distance) C4'-P energy: -82.365
bonds (distance) P-C4' energy: -84.947
flat angles C4'-P-C4' energy: -95.836
flat angles P-C4'-P energy: -64.693
tors. eta vs tors. theta energy: -85.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -836.619672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.619672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.619672 (E_RNA)
where:
Base-Base interactions energy: -429.123
where: short stacking energy: -261.443
Base-Backbone interact. energy: -2.176
local terms energy: -405.321461
where:
bonds (distance) C4'-P energy: -85.467
bonds (distance) P-C4' energy: -96.019
flat angles C4'-P-C4' energy: -89.136
flat angles P-C4'-P energy: -63.998
tors. eta vs tors. theta energy: -70.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -687.767410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.767410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.767410 (E_RNA)
where:
Base-Base interactions energy: -340.000
where: short stacking energy: -242.729
Base-Backbone interact. energy: 0.009
local terms energy: -347.777225
where:
bonds (distance) C4'-P energy: -90.387
bonds (distance) P-C4' energy: -92.013
flat angles C4'-P-C4' energy: -74.565
flat angles P-C4'-P energy: -50.790
tors. eta vs tors. theta energy: -40.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -506.012272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.012272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.012272 (E_RNA)
where:
Base-Base interactions energy: -195.889
where: short stacking energy: -140.316
Base-Backbone interact. energy: 0.325
local terms energy: -310.448544
where:
bonds (distance) C4'-P energy: -89.820
bonds (distance) P-C4' energy: -86.949
flat angles C4'-P-C4' energy: -76.291
flat angles P-C4'-P energy: -46.178
tors. eta vs tors. theta energy: -11.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -461.857823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.857823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.857823 (E_RNA)
where:
Base-Base interactions energy: -159.437
where: short stacking energy: -148.527
Base-Backbone interact. energy: -0.936
local terms energy: -301.484621
where:
bonds (distance) C4'-P energy: -87.394
bonds (distance) P-C4' energy: -84.680
flat angles C4'-P-C4' energy: -76.979
flat angles P-C4'-P energy: -35.615
tors. eta vs tors. theta energy: -16.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -415.613216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.613216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.613216 (E_RNA)
where:
Base-Base interactions energy: -160.259
where: short stacking energy: -138.699
Base-Backbone interact. energy: 3.361
local terms energy: -258.715337
where:
bonds (distance) C4'-P energy: -75.092
bonds (distance) P-C4' energy: -79.411
flat angles C4'-P-C4' energy: -60.252
flat angles P-C4'-P energy: -35.486
tors. eta vs tors. theta energy: -8.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -384.053668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.053668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.053668 (E_RNA)
where:
Base-Base interactions energy: -130.944
where: short stacking energy: -124.549
Base-Backbone interact. energy: 1.407
local terms energy: -254.516534
where:
bonds (distance) C4'-P energy: -81.529
bonds (distance) P-C4' energy: -82.873
flat angles C4'-P-C4' energy: -62.235
flat angles P-C4'-P energy: -25.195
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -352.499285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.499285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.499285 (E_RNA)
where:
Base-Base interactions energy: -113.941
where: short stacking energy: -111.649
Base-Backbone interact. energy: 0.468
local terms energy: -239.026515
where:
bonds (distance) C4'-P energy: -68.488
bonds (distance) P-C4' energy: -66.396
flat angles C4'-P-C4' energy: -60.925
flat angles P-C4'-P energy: -44.786
tors. eta vs tors. theta energy: 1.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1239.915121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.915121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.915121 (E_RNA)
where:
Base-Base interactions energy: -728.387
where: short stacking energy: -442.909
Base-Backbone interact. energy: 0.124
local terms energy: -511.651319
where:
bonds (distance) C4'-P energy: -99.840
bonds (distance) P-C4' energy: -103.368
flat angles C4'-P-C4' energy: -100.075
flat angles P-C4'-P energy: -66.839
tors. eta vs tors. theta energy: -141.529
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: 6
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1080.848544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.848544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.848544 (E_RNA)
where:
Base-Base interactions energy: -632.200
where: short stacking energy: -380.951
Base-Backbone interact. energy: 3.471
local terms energy: -452.119099
where:
bonds (distance) C4'-P energy: -96.856
bonds (distance) P-C4' energy: -91.670
flat angles C4'-P-C4' energy: -100.782
flat angles P-C4'-P energy: -60.947
tors. eta vs tors. theta energy: -101.865
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: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -982.167262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.167262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.167262 (E_RNA)
where:
Base-Base interactions energy: -574.290
where: short stacking energy: -322.062
Base-Backbone interact. energy: 3.509
local terms energy: -411.385607
where:
bonds (distance) C4'-P energy: -91.311
bonds (distance) P-C4' energy: -86.317
flat angles C4'-P-C4' energy: -89.572
flat angles P-C4'-P energy: -56.327
tors. eta vs tors. theta energy: -87.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -813.238609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.238609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.238609 (E_RNA)
where:
Base-Base interactions energy: -423.541
where: short stacking energy: -260.103
Base-Backbone interact. energy: -2.192
local terms energy: -387.505622
where:
bonds (distance) C4'-P energy: -76.970
bonds (distance) P-C4' energy: -94.984
flat angles C4'-P-C4' energy: -94.756
flat angles P-C4'-P energy: -59.168
tors. eta vs tors. theta energy: -61.627
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: 419
Temperature: 1.100000
Total energy: -698.017677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.017677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.017677 (E_RNA)
where:
Base-Base interactions energy: -354.097
where: short stacking energy: -235.612
Base-Backbone interact. energy: 4.307
local terms energy: -348.227879
where:
bonds (distance) C4'-P energy: -87.897
bonds (distance) P-C4' energy: -84.926
flat angles C4'-P-C4' energy: -78.013
flat angles P-C4'-P energy: -48.767
tors. eta vs tors. theta energy: -48.624
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: 419
Temperature: 1.150000
Total energy: -477.532178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.532178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.532178 (E_RNA)
where:
Base-Base interactions energy: -195.568
where: short stacking energy: -176.902
Base-Backbone interact. energy: -1.645
local terms energy: -280.318443
where:
bonds (distance) C4'-P energy: -84.612
bonds (distance) P-C4' energy: -75.192
flat angles C4'-P-C4' energy: -75.988
flat angles P-C4'-P energy: -45.588
tors. eta vs tors. theta energy: 1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -454.172401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.172401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.172401 (E_RNA)
where:
Base-Base interactions energy: -159.207
where: short stacking energy: -138.829
Base-Backbone interact. energy: 2.072
local terms energy: -297.037947
where:
bonds (distance) C4'-P energy: -73.546
bonds (distance) P-C4' energy: -90.588
flat angles C4'-P-C4' energy: -82.312
flat angles P-C4'-P energy: -43.545
tors. eta vs tors. theta energy: -7.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -413.402407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.402407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.402407 (E_RNA)
where:
Base-Base interactions energy: -130.092
where: short stacking energy: -116.155
Base-Backbone interact. energy: -0.353
local terms energy: -282.957416
where:
bonds (distance) C4'-P energy: -80.918
bonds (distance) P-C4' energy: -80.901
flat angles C4'-P-C4' energy: -70.578
flat angles P-C4'-P energy: -47.649
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -372.625138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.625138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.625138 (E_RNA)
where:
Base-Base interactions energy: -127.322
where: short stacking energy: -97.905
Base-Backbone interact. energy: 2.289
local terms energy: -247.591578
where:
bonds (distance) C4'-P energy: -62.203
bonds (distance) P-C4' energy: -78.976
flat angles C4'-P-C4' energy: -78.806
flat angles P-C4'-P energy: -34.002
tors. eta vs tors. theta energy: 6.396
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: 4
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -358.722749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.722749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.722749 (E_RNA)
where:
Base-Base interactions energy: -112.523
where: short stacking energy: -112.523
Base-Backbone interact. energy: -0.367
local terms energy: -245.833173
where:
bonds (distance) C4'-P energy: -68.525
bonds (distance) P-C4' energy: -88.374
flat angles C4'-P-C4' energy: -53.946
flat angles P-C4'-P energy: -49.477
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: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1206.638697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.638697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.638697 (E_RNA)
where:
Base-Base interactions energy: -719.829
where: short stacking energy: -452.577
Base-Backbone interact. energy: -0.993
local terms energy: -485.816825
where:
bonds (distance) C4'-P energy: -88.116
bonds (distance) P-C4' energy: -89.432
flat angles C4'-P-C4' energy: -110.393
flat angles P-C4'-P energy: -60.843
tors. eta vs tors. theta energy: -137.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1133.072856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.072856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.072856 (E_RNA)
where:
Base-Base interactions energy: -667.944
where: short stacking energy: -411.921
Base-Backbone interact. energy: -0.648
local terms energy: -464.480795
where:
bonds (distance) C4'-P energy: -87.671
bonds (distance) P-C4' energy: -83.057
flat angles C4'-P-C4' energy: -95.012
flat angles P-C4'-P energy: -74.565
tors. eta vs tors. theta energy: -124.176
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: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1011.186062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.186062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.186062 (E_RNA)
where:
Base-Base interactions energy: -594.850
where: short stacking energy: -340.783
Base-Backbone interact. energy: -1.321
local terms energy: -415.015320
where:
bonds (distance) C4'-P energy: -77.691
bonds (distance) P-C4' energy: -80.629
flat angles C4'-P-C4' energy: -101.071
flat angles P-C4'-P energy: -62.967
tors. eta vs tors. theta energy: -92.657
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: 420
Temperature: 1.050000
Total energy: -869.371246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.371246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.371246 (E_RNA)
where:
Base-Base interactions energy: -488.499
where: short stacking energy: -279.987
Base-Backbone interact. energy: -2.763
local terms energy: -378.108732
where:
bonds (distance) C4'-P energy: -84.254
bonds (distance) P-C4' energy: -91.659
flat angles C4'-P-C4' energy: -81.977
flat angles P-C4'-P energy: -59.640
tors. eta vs tors. theta energy: -60.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -669.952600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.952600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.952600 (E_RNA)
where:
Base-Base interactions energy: -332.562
where: short stacking energy: -217.597
Base-Backbone interact. energy: 0.723
local terms energy: -338.114082
where:
bonds (distance) C4'-P energy: -88.144
bonds (distance) P-C4' energy: -77.713
flat angles C4'-P-C4' energy: -78.648
flat angles P-C4'-P energy: -65.153
tors. eta vs tors. theta energy: -28.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -520.127663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.127663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.127663 (E_RNA)
where:
Base-Base interactions energy: -205.586
where: short stacking energy: -172.898
Base-Backbone interact. energy: -1.276
local terms energy: -313.265197
where:
bonds (distance) C4'-P energy: -72.925
bonds (distance) P-C4' energy: -79.761
flat angles C4'-P-C4' energy: -79.299
flat angles P-C4'-P energy: -52.534
tors. eta vs tors. theta energy: -28.746
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: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -442.126656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.126656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.126656 (E_RNA)
where:
Base-Base interactions energy: -167.326
where: short stacking energy: -138.893
Base-Backbone interact. energy: 5.446
local terms energy: -280.246272
where:
bonds (distance) C4'-P energy: -96.843
bonds (distance) P-C4' energy: -72.215
flat angles C4'-P-C4' energy: -72.690
flat angles P-C4'-P energy: -35.701
tors. eta vs tors. theta energy: -2.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -425.914349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.914349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.914349 (E_RNA)
where:
Base-Base interactions energy: -146.260
where: short stacking energy: -136.940
Base-Backbone interact. energy: -0.242
local terms energy: -279.412037
where:
bonds (distance) C4'-P energy: -75.122
bonds (distance) P-C4' energy: -68.991
flat angles C4'-P-C4' energy: -63.006
flat angles P-C4'-P energy: -56.586
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -378.032697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.032697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.032697 (E_RNA)
where:
Base-Base interactions energy: -131.487
where: short stacking energy: -96.637
Base-Backbone interact. energy: -0.333
local terms energy: -246.212439
where:
bonds (distance) C4'-P energy: -70.264
bonds (distance) P-C4' energy: -83.273
flat angles C4'-P-C4' energy: -76.948
flat angles P-C4'-P energy: -33.155
tors. eta vs tors. theta energy: 17.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -335.521774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.521774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.521774 (E_RNA)
where:
Base-Base interactions energy: -100.687
where: short stacking energy: -95.915
Base-Backbone interact. energy: -0.707
local terms energy: -234.127455
where:
bonds (distance) C4'-P energy: -78.455
bonds (distance) P-C4' energy: -77.432
flat angles C4'-P-C4' energy: -49.922
flat angles P-C4'-P energy: -43.769
tors. eta vs tors. theta energy: 15.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1224.480529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.480529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.480529 (E_RNA)
where:
Base-Base interactions energy: -722.674
where: short stacking energy: -433.072
Base-Backbone interact. energy: 0.051
local terms energy: -501.856942
where:
bonds (distance) C4'-P energy: -100.943
bonds (distance) P-C4' energy: -95.441
flat angles C4'-P-C4' energy: -108.539
flat angles P-C4'-P energy: -66.192
tors. eta vs tors. theta energy: -130.742
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: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1137.260171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.260171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.260171 (E_RNA)
where:
Base-Base interactions energy: -663.720
where: short stacking energy: -397.336
Base-Backbone interact. energy: -1.105
local terms energy: -472.434571
where:
bonds (distance) C4'-P energy: -92.115
bonds (distance) P-C4' energy: -94.761
flat angles C4'-P-C4' energy: -107.819
flat angles P-C4'-P energy: -54.814
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: 3, replica: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -990.580872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.580872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.580872 (E_RNA)
where:
Base-Base interactions energy: -564.575
where: short stacking energy: -322.663
Base-Backbone interact. energy: -1.007
local terms energy: -424.998906
where:
bonds (distance) C4'-P energy: -82.245
bonds (distance) P-C4' energy: -93.983
flat angles C4'-P-C4' energy: -94.025
flat angles P-C4'-P energy: -65.477
tors. eta vs tors. theta energy: -89.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -837.186669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.186669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.186669 (E_RNA)
where:
Base-Base interactions energy: -462.029
where: short stacking energy: -282.342
Base-Backbone interact. energy: -1.216
local terms energy: -373.942233
where:
bonds (distance) C4'-P energy: -93.547
bonds (distance) P-C4' energy: -90.563
flat angles C4'-P-C4' energy: -76.138
flat angles P-C4'-P energy: -46.518
tors. eta vs tors. theta energy: -67.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -648.931783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.931783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.931783 (E_RNA)
where:
Base-Base interactions energy: -313.037
where: short stacking energy: -197.957
Base-Backbone interact. energy: 0.808
local terms energy: -336.703126
where:
bonds (distance) C4'-P energy: -79.980
bonds (distance) P-C4' energy: -78.619
flat angles C4'-P-C4' energy: -89.522
flat angles P-C4'-P energy: -54.517
tors. eta vs tors. theta energy: -34.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -485.900214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.900214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.900214 (E_RNA)
where:
Base-Base interactions energy: -183.027
where: short stacking energy: -172.627
Base-Backbone interact. energy: -0.301
local terms energy: -302.571819
where:
bonds (distance) C4'-P energy: -88.430
bonds (distance) P-C4' energy: -88.730
flat angles C4'-P-C4' energy: -67.420
flat angles P-C4'-P energy: -42.082
tors. eta vs tors. theta energy: -15.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -440.953878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.953878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.953878 (E_RNA)
where:
Base-Base interactions energy: -153.460
where: short stacking energy: -136.213
Base-Backbone interact. energy: -1.694
local terms energy: -285.800370
where:
bonds (distance) C4'-P energy: -69.747
bonds (distance) P-C4' energy: -82.924
flat angles C4'-P-C4' energy: -80.630
flat angles P-C4'-P energy: -46.795
tors. eta vs tors. theta energy: -5.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -423.792066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.792066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.792066 (E_RNA)
where:
Base-Base interactions energy: -152.414
where: short stacking energy: -123.480
Base-Backbone interact. energy: 2.183
local terms energy: -273.561395
where:
bonds (distance) C4'-P energy: -85.623
bonds (distance) P-C4' energy: -84.657
flat angles C4'-P-C4' energy: -57.484
flat angles P-C4'-P energy: -48.093
tors. eta vs tors. theta energy: 2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -395.686399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.686399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.686399 (E_RNA)
where:
Base-Base interactions energy: -115.533
where: short stacking energy: -109.185
Base-Backbone interact. energy: -0.928
local terms energy: -279.225124
where:
bonds (distance) C4'-P energy: -77.676
bonds (distance) P-C4' energy: -79.872
flat angles C4'-P-C4' energy: -75.241
flat angles P-C4'-P energy: -47.542
tors. eta vs tors. theta energy: 1.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -346.498051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.498051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.498051 (E_RNA)
where:
Base-Base interactions energy: -99.776
where: short stacking energy: -94.010
Base-Backbone interact. energy: -1.425
local terms energy: -245.296874
where:
bonds (distance) C4'-P energy: -65.819
bonds (distance) P-C4' energy: -81.161
flat angles C4'-P-C4' energy: -80.081
flat angles P-C4'-P energy: -41.493
tors. eta vs tors. theta energy: 23.256
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: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1221.352022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.352022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.352022 (E_RNA)
where:
Base-Base interactions energy: -717.180
where: short stacking energy: -440.256
Base-Backbone interact. energy: -1.135
local terms energy: -503.037077
where:
bonds (distance) C4'-P energy: -96.269
bonds (distance) P-C4' energy: -101.169
flat angles C4'-P-C4' energy: -104.119
flat angles P-C4'-P energy: -71.181
tors. eta vs tors. theta energy: -130.299
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: 6
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1126.812459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.812459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.812459 (E_RNA)
where:
Base-Base interactions energy: -679.705
where: short stacking energy: -408.398
Base-Backbone interact. energy: -0.626
local terms energy: -446.481175
where:
bonds (distance) C4'-P energy: -88.823
bonds (distance) P-C4' energy: -88.243
flat angles C4'-P-C4' energy: -95.053
flat angles P-C4'-P energy: -62.762
tors. eta vs tors. theta energy: -111.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -959.542484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.542484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.542484 (E_RNA)
where:
Base-Base interactions energy: -558.628
where: short stacking energy: -342.580
Base-Backbone interact. energy: 0.163
local terms energy: -401.077434
where:
bonds (distance) C4'-P energy: -76.368
bonds (distance) P-C4' energy: -100.140
flat angles C4'-P-C4' energy: -90.324
flat angles P-C4'-P energy: -43.444
tors. eta vs tors. theta energy: -90.802
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: 422
Temperature: 1.050000
Total energy: -824.876049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.876049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.876049 (E_RNA)
where:
Base-Base interactions energy: -431.976
where: short stacking energy: -269.624
Base-Backbone interact. energy: -1.145
local terms energy: -391.755654
where:
bonds (distance) C4'-P energy: -83.975
bonds (distance) P-C4' energy: -99.241
flat angles C4'-P-C4' energy: -86.624
flat angles P-C4'-P energy: -60.940
tors. eta vs tors. theta energy: -60.975
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: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -683.859249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.859249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.859249 (E_RNA)
where:
Base-Base interactions energy: -317.960
where: short stacking energy: -218.377
Base-Backbone interact. energy: 0.155
local terms energy: -366.054752
where:
bonds (distance) C4'-P energy: -90.769
bonds (distance) P-C4' energy: -84.218
flat angles C4'-P-C4' energy: -91.872
flat angles P-C4'-P energy: -57.560
tors. eta vs tors. theta energy: -41.635
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: 422
Temperature: 1.150000
Total energy: -486.682515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.682515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.682515 (E_RNA)
where:
Base-Base interactions energy: -188.675
where: short stacking energy: -167.180
Base-Backbone interact. energy: -1.013
local terms energy: -296.994681
where:
bonds (distance) C4'-P energy: -89.152
bonds (distance) P-C4' energy: -85.316
flat angles C4'-P-C4' energy: -67.465
flat angles P-C4'-P energy: -37.684
tors. eta vs tors. theta energy: -17.376
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: 7, replica: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -447.869749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.869749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.869749 (E_RNA)
where:
Base-Base interactions energy: -155.416
where: short stacking energy: -123.931
Base-Backbone interact. energy: -0.001
local terms energy: -292.453255
where:
bonds (distance) C4'-P energy: -74.895
bonds (distance) P-C4' energy: -76.664
flat angles C4'-P-C4' energy: -72.282
flat angles P-C4'-P energy: -58.709
tors. eta vs tors. theta energy: -9.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -404.432943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.432943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.432943 (E_RNA)
where:
Base-Base interactions energy: -132.976
where: short stacking energy: -114.256
Base-Backbone interact. energy: -1.140
local terms energy: -270.317643
where:
bonds (distance) C4'-P energy: -62.574
bonds (distance) P-C4' energy: -99.920
flat angles C4'-P-C4' energy: -74.669
flat angles P-C4'-P energy: -39.194
tors. eta vs tors. theta energy: 6.039
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: 422
Temperature: 1.300000
Total energy: -404.141510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.141510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.141510 (E_RNA)
where:
Base-Base interactions energy: -140.884
where: short stacking energy: -121.092
Base-Backbone interact. energy: 1.560
local terms energy: -264.817812
where:
bonds (distance) C4'-P energy: -74.049
bonds (distance) P-C4' energy: -82.835
flat angles C4'-P-C4' energy: -71.861
flat angles P-C4'-P energy: -38.168
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: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -345.321498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.321498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.321498 (E_RNA)
where:
Base-Base interactions energy: -108.859
where: short stacking energy: -94.842
Base-Backbone interact. energy: 3.353
local terms energy: -239.816295
where:
bonds (distance) C4'-P energy: -69.235
bonds (distance) P-C4' energy: -91.944
flat angles C4'-P-C4' energy: -54.622
flat angles P-C4'-P energy: -42.428
tors. eta vs tors. theta energy: 18.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1213.958762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.958762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.958762 (E_RNA)
where:
Base-Base interactions energy: -717.551
where: short stacking energy: -441.950
Base-Backbone interact. energy: -0.357
local terms energy: -496.050417
where:
bonds (distance) C4'-P energy: -88.213
bonds (distance) P-C4' energy: -96.242
flat angles C4'-P-C4' energy: -106.717
flat angles P-C4'-P energy: -66.144
tors. eta vs tors. theta energy: -138.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1141.151916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.151916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.151916 (E_RNA)
where:
Base-Base interactions energy: -663.822
where: short stacking energy: -383.909
Base-Backbone interact. energy: -2.136
local terms energy: -475.193765
where:
bonds (distance) C4'-P energy: -79.755
bonds (distance) P-C4' energy: -97.865
flat angles C4'-P-C4' energy: -111.553
flat angles P-C4'-P energy: -69.467
tors. eta vs tors. theta energy: -116.553
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: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -973.490289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.490289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.490289 (E_RNA)
where:
Base-Base interactions energy: -543.502
where: short stacking energy: -305.426
Base-Backbone interact. energy: 2.069
local terms energy: -432.057125
where:
bonds (distance) C4'-P energy: -88.990
bonds (distance) P-C4' energy: -93.635
flat angles C4'-P-C4' energy: -97.059
flat angles P-C4'-P energy: -62.652
tors. eta vs tors. theta energy: -89.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -811.881876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.881876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.881876 (E_RNA)
where:
Base-Base interactions energy: -438.163
where: short stacking energy: -285.807
Base-Backbone interact. energy: 2.689
local terms energy: -376.407564
where:
bonds (distance) C4'-P energy: -84.191
bonds (distance) P-C4' energy: -97.662
flat angles C4'-P-C4' energy: -83.413
flat angles P-C4'-P energy: -47.646
tors. eta vs tors. theta energy: -63.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -674.478649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.478649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.478649 (E_RNA)
where:
Base-Base interactions energy: -330.818
where: short stacking energy: -225.657
Base-Backbone interact. energy: -1.738
local terms energy: -341.922282
where:
bonds (distance) C4'-P energy: -79.334
bonds (distance) P-C4' energy: -90.301
flat angles C4'-P-C4' energy: -88.690
flat angles P-C4'-P energy: -49.936
tors. eta vs tors. theta energy: -33.662
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: 6, replica: 8
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -463.929931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.929931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.929931 (E_RNA)
where:
Base-Base interactions energy: -164.139
where: short stacking energy: -149.506
Base-Backbone interact. energy: -3.556
local terms energy: -296.234507
where:
bonds (distance) C4'-P energy: -73.707
bonds (distance) P-C4' energy: -91.942
flat angles C4'-P-C4' energy: -64.944
flat angles P-C4'-P energy: -59.202
tors. eta vs tors. theta energy: -6.440
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: 7, replica: 4
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -471.292500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.292500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.292500 (E_RNA)
where:
Base-Base interactions energy: -198.466
where: short stacking energy: -160.785
Base-Backbone interact. energy: -0.611
local terms energy: -272.215615
where:
bonds (distance) C4'-P energy: -86.248
bonds (distance) P-C4' energy: -58.934
flat angles C4'-P-C4' energy: -74.669
flat angles P-C4'-P energy: -43.926
tors. eta vs tors. theta energy: -8.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -431.433737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.433737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.433737 (E_RNA)
where:
Base-Base interactions energy: -142.489
where: short stacking energy: -133.976
Base-Backbone interact. energy: 0.713
local terms energy: -289.657343
where:
bonds (distance) C4'-P energy: -79.722
bonds (distance) P-C4' energy: -90.634
flat angles C4'-P-C4' energy: -69.825
flat angles P-C4'-P energy: -35.100
tors. eta vs tors. theta energy: -14.376
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: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -387.193031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.193031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.193031 (E_RNA)
where:
Base-Base interactions energy: -133.173
where: short stacking energy: -114.540
Base-Backbone interact. energy: -1.724
local terms energy: -252.295265
where:
bonds (distance) C4'-P energy: -75.240
bonds (distance) P-C4' energy: -76.280
flat angles C4'-P-C4' energy: -60.501
flat angles P-C4'-P energy: -39.728
tors. eta vs tors. theta energy: -0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -354.372667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.372667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.372667 (E_RNA)
where:
Base-Base interactions energy: -101.041
where: short stacking energy: -96.653
Base-Backbone interact. energy: 1.680
local terms energy: -255.011699
where:
bonds (distance) C4'-P energy: -74.160
bonds (distance) P-C4' energy: -90.994
flat angles C4'-P-C4' energy: -64.200
flat angles P-C4'-P energy: -28.753
tors. eta vs tors. theta energy: 3.095
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: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1240.951005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.951005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.951005 (E_RNA)
where:
Base-Base interactions energy: -729.201
where: short stacking energy: -457.526
Base-Backbone interact. energy: -0.068
local terms energy: -511.682336
where:
bonds (distance) C4'-P energy: -93.474
bonds (distance) P-C4' energy: -95.338
flat angles C4'-P-C4' energy: -104.445
flat angles P-C4'-P energy: -74.538
tors. eta vs tors. theta energy: -143.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1122.709642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.709642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.709642 (E_RNA)
where:
Base-Base interactions energy: -654.808
where: short stacking energy: -392.777
Base-Backbone interact. energy: -2.252
local terms energy: -465.649555
where:
bonds (distance) C4'-P energy: -84.768
bonds (distance) P-C4' energy: -98.768
flat angles C4'-P-C4' energy: -98.256
flat angles P-C4'-P energy: -61.115
tors. eta vs tors. theta energy: -122.743
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: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -927.895499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.895499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.895499 (E_RNA)
where:
Base-Base interactions energy: -515.442
where: short stacking energy: -307.541
Base-Backbone interact. energy: -0.371
local terms energy: -412.082607
where:
bonds (distance) C4'-P energy: -86.970
bonds (distance) P-C4' energy: -87.317
flat angles C4'-P-C4' energy: -98.369
flat angles P-C4'-P energy: -70.050
tors. eta vs tors. theta energy: -69.377
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: 424
Temperature: 1.050000
Total energy: -798.136311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.136311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.136311 (E_RNA)
where:
Base-Base interactions energy: -432.234
where: short stacking energy: -253.116
Base-Backbone interact. energy: 6.249
local terms energy: -372.151484
where:
bonds (distance) C4'-P energy: -77.681
bonds (distance) P-C4' energy: -90.558
flat angles C4'-P-C4' energy: -85.740
flat angles P-C4'-P energy: -58.850
tors. eta vs tors. theta energy: -59.322
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: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -662.349740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.349740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.349740 (E_RNA)
where:
Base-Base interactions energy: -330.072
where: short stacking energy: -195.079
Base-Backbone interact. energy: 0.078
local terms energy: -332.355919
where:
bonds (distance) C4'-P energy: -94.614
bonds (distance) P-C4' energy: -85.735
flat angles C4'-P-C4' energy: -74.221
flat angles P-C4'-P energy: -53.562
tors. eta vs tors. theta energy: -24.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -482.519306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.519306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.519306 (E_RNA)
where:
Base-Base interactions energy: -150.721
where: short stacking energy: -126.693
Base-Backbone interact. energy: 1.364
local terms energy: -333.162749
where:
bonds (distance) C4'-P energy: -85.917
bonds (distance) P-C4' energy: -85.033
flat angles C4'-P-C4' energy: -89.188
flat angles P-C4'-P energy: -60.695
tors. eta vs tors. theta energy: -12.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -440.777622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.777622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.777622 (E_RNA)
where:
Base-Base interactions energy: -152.537
where: short stacking energy: -109.843
Base-Backbone interact. energy: 2.331
local terms energy: -290.571460
where:
bonds (distance) C4'-P energy: -79.648
bonds (distance) P-C4' energy: -92.732
flat angles C4'-P-C4' energy: -81.592
flat angles P-C4'-P energy: -46.238
tors. eta vs tors. theta energy: 9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -437.581422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.581422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.581422 (E_RNA)
where:
Base-Base interactions energy: -170.042
where: short stacking energy: -151.401
Base-Backbone interact. energy: 0.610
local terms energy: -268.148732
where:
bonds (distance) C4'-P energy: -79.166
bonds (distance) P-C4' energy: -77.811
flat angles C4'-P-C4' energy: -60.717
flat angles P-C4'-P energy: -43.519
tors. eta vs tors. theta energy: -6.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -400.075068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.075068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.075068 (E_RNA)
where:
Base-Base interactions energy: -129.913
where: short stacking energy: -119.067
Base-Backbone interact. energy: 1.136
local terms energy: -271.297187
where:
bonds (distance) C4'-P energy: -75.328
bonds (distance) P-C4' energy: -81.249
flat angles C4'-P-C4' energy: -70.513
flat angles P-C4'-P energy: -37.221
tors. eta vs tors. theta energy: -6.986
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: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -345.177944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.177944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.177944 (E_RNA)
where:
Base-Base interactions energy: -94.940
where: short stacking energy: -79.018
Base-Backbone interact. energy: -2.534
local terms energy: -247.703962
where:
bonds (distance) C4'-P energy: -87.426
bonds (distance) P-C4' energy: -73.607
flat angles C4'-P-C4' energy: -69.906
flat angles P-C4'-P energy: -41.885
tors. eta vs tors. theta energy: 25.120
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: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1225.900433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.900433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.900433 (E_RNA)
where:
Base-Base interactions energy: -718.981
where: short stacking energy: -447.781
Base-Backbone interact. energy: -0.091
local terms energy: -506.828411
where:
bonds (distance) C4'-P energy: -89.898
bonds (distance) P-C4' energy: -95.514
flat angles C4'-P-C4' energy: -102.072
flat angles P-C4'-P energy: -78.680
tors. eta vs tors. theta energy: -140.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1169.396667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.396667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.396667 (E_RNA)
where:
Base-Base interactions energy: -697.327
where: short stacking energy: -428.631
Base-Backbone interact. energy: -0.420
local terms energy: -471.649926
where:
bonds (distance) C4'-P energy: -86.768
bonds (distance) P-C4' energy: -96.731
flat angles C4'-P-C4' energy: -103.240
flat angles P-C4'-P energy: -58.187
tors. eta vs tors. theta energy: -126.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -895.950591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.950591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.950591 (E_RNA)
where:
Base-Base interactions energy: -512.716
where: short stacking energy: -288.111
Base-Backbone interact. energy: -2.144
local terms energy: -381.090079
where:
bonds (distance) C4'-P energy: -83.784
bonds (distance) P-C4' energy: -94.895
flat angles C4'-P-C4' energy: -90.786
flat angles P-C4'-P energy: -46.144
tors. eta vs tors. theta energy: -65.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -820.138395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.138395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.138395 (E_RNA)
where:
Base-Base interactions energy: -438.915
where: short stacking energy: -258.553
Base-Backbone interact. energy: 1.291
local terms energy: -382.514007
where:
bonds (distance) C4'-P energy: -89.718
bonds (distance) P-C4' energy: -98.653
flat angles C4'-P-C4' energy: -88.213
flat angles P-C4'-P energy: -49.331
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: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -671.615197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.615197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.615197 (E_RNA)
where:
Base-Base interactions energy: -344.386
where: short stacking energy: -212.866
Base-Backbone interact. energy: -3.623
local terms energy: -323.606257
where:
bonds (distance) C4'-P energy: -83.489
bonds (distance) P-C4' energy: -77.937
flat angles C4'-P-C4' energy: -74.650
flat angles P-C4'-P energy: -44.485
tors. eta vs tors. theta energy: -43.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -492.348732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.348732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.348732 (E_RNA)
where:
Base-Base interactions energy: -192.878
where: short stacking energy: -156.153
Base-Backbone interact. energy: -0.626
local terms energy: -298.844016
where:
bonds (distance) C4'-P energy: -80.197
bonds (distance) P-C4' energy: -76.187
flat angles C4'-P-C4' energy: -71.078
flat angles P-C4'-P energy: -57.751
tors. eta vs tors. theta energy: -13.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -432.806336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.806336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.806336 (E_RNA)
where:
Base-Base interactions energy: -148.619
where: short stacking energy: -118.798
Base-Backbone interact. energy: -2.560
local terms energy: -281.626901
where:
bonds (distance) C4'-P energy: -73.092
bonds (distance) P-C4' energy: -82.262
flat angles C4'-P-C4' energy: -83.672
flat angles P-C4'-P energy: -40.065
tors. eta vs tors. theta energy: -2.536
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: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -392.061811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.061811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.061811 (E_RNA)
where:
Base-Base interactions energy: -150.736
where: short stacking energy: -128.406
Base-Backbone interact. energy: 1.954
local terms energy: -243.279988
where:
bonds (distance) C4'-P energy: -60.436
bonds (distance) P-C4' energy: -82.867
flat angles C4'-P-C4' energy: -70.870
flat angles P-C4'-P energy: -42.443
tors. eta vs tors. theta energy: 13.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -352.183597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.183597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.183597 (E_RNA)
where:
Base-Base interactions energy: -109.420
where: short stacking energy: -90.722
Base-Backbone interact. energy: -0.043
local terms energy: -242.720186
where:
bonds (distance) C4'-P energy: -74.612
bonds (distance) P-C4' energy: -89.912
flat angles C4'-P-C4' energy: -61.286
flat angles P-C4'-P energy: -43.456
tors. eta vs tors. theta energy: 26.545
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: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -355.784000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.784000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.784000 (E_RNA)
where:
Base-Base interactions energy: -117.288
where: short stacking energy: -97.288
Base-Backbone interact. energy: 0.477
local terms energy: -238.973217
where:
bonds (distance) C4'-P energy: -80.204
bonds (distance) P-C4' energy: -72.686
flat angles C4'-P-C4' energy: -59.972
flat angles P-C4'-P energy: -40.553
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: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1220.121730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.121730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.121730 (E_RNA)
where:
Base-Base interactions energy: -713.657
where: short stacking energy: -446.210
Base-Backbone interact. energy: -0.830
local terms energy: -505.634486
where:
bonds (distance) C4'-P energy: -97.656
bonds (distance) P-C4' energy: -93.391
flat angles C4'-P-C4' energy: -106.871
flat angles P-C4'-P energy: -77.138
tors. eta vs tors. theta energy: -130.577
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: 6
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1155.441637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.441637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.441637 (E_RNA)
where:
Base-Base interactions energy: -699.323
where: short stacking energy: -408.955
Base-Backbone interact. energy: -0.709
local terms energy: -455.409400
where:
bonds (distance) C4'-P energy: -82.339
bonds (distance) P-C4' energy: -90.019
flat angles C4'-P-C4' energy: -101.147
flat angles P-C4'-P energy: -60.983
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: 3, replica: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -909.628517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.628517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.628517 (E_RNA)
where:
Base-Base interactions energy: -494.983
where: short stacking energy: -300.257
Base-Backbone interact. energy: -0.668
local terms energy: -413.977027
where:
bonds (distance) C4'-P energy: -91.542
bonds (distance) P-C4' energy: -98.924
flat angles C4'-P-C4' energy: -90.122
flat angles P-C4'-P energy: -56.120
tors. eta vs tors. theta energy: -77.269
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: 7
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -837.875811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.875811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.875811 (E_RNA)
where:
Base-Base interactions energy: -448.764
where: short stacking energy: -272.395
Base-Backbone interact. energy: -1.237
local terms energy: -387.874967
where:
bonds (distance) C4'-P energy: -87.393
bonds (distance) P-C4' energy: -89.163
flat angles C4'-P-C4' energy: -92.920
flat angles P-C4'-P energy: -58.479
tors. eta vs tors. theta energy: -59.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -681.328305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.328305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.328305 (E_RNA)
where:
Base-Base interactions energy: -330.871
where: short stacking energy: -221.315
Base-Backbone interact. energy: 0.199
local terms energy: -350.656686
where:
bonds (distance) C4'-P energy: -90.719
bonds (distance) P-C4' energy: -92.242
flat angles C4'-P-C4' energy: -83.199
flat angles P-C4'-P energy: -46.680
tors. eta vs tors. theta energy: -37.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -502.260985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.260985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.260985 (E_RNA)
where:
Base-Base interactions energy: -177.922
where: short stacking energy: -157.567
Base-Backbone interact. energy: 2.041
local terms energy: -326.379760
where:
bonds (distance) C4'-P energy: -76.489
bonds (distance) P-C4' energy: -92.340
flat angles C4'-P-C4' energy: -80.885
flat angles P-C4'-P energy: -52.574
tors. eta vs tors. theta energy: -24.092
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: 4
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -445.494049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.494049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.494049 (E_RNA)
where:
Base-Base interactions energy: -159.872
where: short stacking energy: -136.718
Base-Backbone interact. energy: -2.476
local terms energy: -283.146279
where:
bonds (distance) C4'-P energy: -81.495
bonds (distance) P-C4' energy: -92.200
flat angles C4'-P-C4' energy: -66.651
flat angles P-C4'-P energy: -34.156
tors. eta vs tors. theta energy: -8.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -455.773598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.773598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.773598 (E_RNA)
where:
Base-Base interactions energy: -155.723
where: short stacking energy: -139.265
Base-Backbone interact. energy: 0.186
local terms energy: -300.237265
where:
bonds (distance) C4'-P energy: -72.860
bonds (distance) P-C4' energy: -83.753
flat angles C4'-P-C4' energy: -76.048
flat angles P-C4'-P energy: -59.707
tors. eta vs tors. theta energy: -7.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -373.869917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.869917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.869917 (E_RNA)
where:
Base-Base interactions energy: -123.919
where: short stacking energy: -89.290
Base-Backbone interact. energy: -0.605
local terms energy: -249.346233
where:
bonds (distance) C4'-P energy: -79.306
bonds (distance) P-C4' energy: -69.108
flat angles C4'-P-C4' energy: -74.366
flat angles P-C4'-P energy: -39.275
tors. eta vs tors. theta energy: 12.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -350.774904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.774904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.774904 (E_RNA)
where:
Base-Base interactions energy: -102.802
where: short stacking energy: -94.936
Base-Backbone interact. energy: -0.147
local terms energy: -247.826056
where:
bonds (distance) C4'-P energy: -72.894
bonds (distance) P-C4' energy: -78.652
flat angles C4'-P-C4' energy: -74.913
flat angles P-C4'-P energy: -37.459
tors. eta vs tors. theta energy: 16.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1211.810924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.810924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.810924 (E_RNA)
where:
Base-Base interactions energy: -728.710
where: short stacking energy: -465.173
Base-Backbone interact. energy: -0.326
local terms energy: -482.775299
where:
bonds (distance) C4'-P energy: -82.299
bonds (distance) P-C4' energy: -94.123
flat angles C4'-P-C4' energy: -102.485
flat angles P-C4'-P energy: -69.069
tors. eta vs tors. theta energy: -134.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1148.921285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.921285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.921285 (E_RNA)
where:
Base-Base interactions energy: -694.415
where: short stacking energy: -384.711
Base-Backbone interact. energy: -0.911
local terms energy: -453.595000
where:
bonds (distance) C4'-P energy: -78.972
bonds (distance) P-C4' energy: -95.145
flat angles C4'-P-C4' energy: -99.296
flat angles P-C4'-P energy: -57.803
tors. eta vs tors. theta energy: -122.379
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: 10
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -931.740472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.740472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.740472 (E_RNA)
where:
Base-Base interactions energy: -530.323
where: short stacking energy: -308.450
Base-Backbone interact. energy: -1.381
local terms energy: -400.036483
where:
bonds (distance) C4'-P energy: -84.760
bonds (distance) P-C4' energy: -89.889
flat angles C4'-P-C4' energy: -91.915
flat angles P-C4'-P energy: -58.427
tors. eta vs tors. theta energy: -75.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -850.772102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.772102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.772102 (E_RNA)
where:
Base-Base interactions energy: -449.634
where: short stacking energy: -289.246
Base-Backbone interact. energy: 0.786
local terms energy: -401.924238
where:
bonds (distance) C4'-P energy: -83.312
bonds (distance) P-C4' energy: -86.374
flat angles C4'-P-C4' energy: -97.008
flat angles P-C4'-P energy: -71.019
tors. eta vs tors. theta energy: -64.212
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: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -703.143968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.143968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.143968 (E_RNA)
where:
Base-Base interactions energy: -356.817
where: short stacking energy: -229.477
Base-Backbone interact. energy: -2.634
local terms energy: -343.692645
where:
bonds (distance) C4'-P energy: -76.427
bonds (distance) P-C4' energy: -71.570
flat angles C4'-P-C4' energy: -89.805
flat angles P-C4'-P energy: -72.101
tors. eta vs tors. theta energy: -33.789
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: 6, replica: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -460.273960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.273960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.273960 (E_RNA)
where:
Base-Base interactions energy: -175.612
where: short stacking energy: -162.635
Base-Backbone interact. energy: -1.233
local terms energy: -283.429396
where:
bonds (distance) C4'-P energy: -81.786
bonds (distance) P-C4' energy: -91.561
flat angles C4'-P-C4' energy: -71.211
flat angles P-C4'-P energy: -32.261
tors. eta vs tors. theta energy: -6.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -477.775968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.775968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.775968 (E_RNA)
where:
Base-Base interactions energy: -170.803
where: short stacking energy: -154.448
Base-Backbone interact. energy: 0.278
local terms energy: -307.251119
where:
bonds (distance) C4'-P energy: -75.711
bonds (distance) P-C4' energy: -97.088
flat angles C4'-P-C4' energy: -86.745
flat angles P-C4'-P energy: -34.060
tors. eta vs tors. theta energy: -13.647
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: 8, replica: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -407.891623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.891623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.891623 (E_RNA)
where:
Base-Base interactions energy: -127.428
where: short stacking energy: -117.797
Base-Backbone interact. energy: -1.272
local terms energy: -279.190944
where:
bonds (distance) C4'-P energy: -60.186
bonds (distance) P-C4' energy: -81.358
flat angles C4'-P-C4' energy: -80.424
flat angles P-C4'-P energy: -53.169
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -398.388175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.388175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.388175 (E_RNA)
where:
Base-Base interactions energy: -128.842
where: short stacking energy: -119.832
Base-Backbone interact. energy: 4.519
local terms energy: -274.064639
where:
bonds (distance) C4'-P energy: -75.162
bonds (distance) P-C4' energy: -87.630
flat angles C4'-P-C4' energy: -50.089
flat angles P-C4'-P energy: -45.133
tors. eta vs tors. theta energy: -16.050
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: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -364.241781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.241781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.241781 (E_RNA)
where:
Base-Base interactions energy: -125.179
where: short stacking energy: -120.285
Base-Backbone interact. energy: 0.353
local terms energy: -239.415182
where:
bonds (distance) C4'-P energy: -73.226
bonds (distance) P-C4' energy: -76.800
flat angles C4'-P-C4' energy: -72.188
flat angles P-C4'-P energy: -28.801
tors. eta vs tors. theta energy: 11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1229.146701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.146701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.146701 (E_RNA)
where:
Base-Base interactions energy: -730.694
where: short stacking energy: -446.949
Base-Backbone interact. energy: -0.372
local terms energy: -498.080660
where:
bonds (distance) C4'-P energy: -86.401
bonds (distance) P-C4' energy: -95.449
flat angles C4'-P-C4' energy: -107.719
flat angles P-C4'-P energy: -70.604
tors. eta vs tors. theta energy: -137.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1164.444925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.444925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.444925 (E_RNA)
where:
Base-Base interactions energy: -689.001
where: short stacking energy: -391.352
Base-Backbone interact. energy: 0.080
local terms energy: -475.523324
where:
bonds (distance) C4'-P energy: -94.564
bonds (distance) P-C4' energy: -99.317
flat angles C4'-P-C4' energy: -98.006
flat angles P-C4'-P energy: -65.865
tors. eta vs tors. theta energy: -117.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -932.104238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.104238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.104238 (E_RNA)
where:
Base-Base interactions energy: -530.088
where: short stacking energy: -328.588
Base-Backbone interact. energy: -1.131
local terms energy: -400.885673
where:
bonds (distance) C4'-P energy: -85.566
bonds (distance) P-C4' energy: -94.894
flat angles C4'-P-C4' energy: -84.441
flat angles P-C4'-P energy: -43.547
tors. eta vs tors. theta energy: -92.437
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: 7
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -861.108894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.108894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.108894 (E_RNA)
where:
Base-Base interactions energy: -450.568
where: short stacking energy: -283.677
Base-Backbone interact. energy: -1.825
local terms energy: -408.715660
where:
bonds (distance) C4'-P energy: -89.762
bonds (distance) P-C4' energy: -90.591
flat angles C4'-P-C4' energy: -89.567
flat angles P-C4'-P energy: -62.746
tors. eta vs tors. theta energy: -76.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -663.223304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.223304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.223304 (E_RNA)
where:
Base-Base interactions energy: -311.572
where: short stacking energy: -211.855
Base-Backbone interact. energy: 2.444
local terms energy: -354.094568
where:
bonds (distance) C4'-P energy: -74.461
bonds (distance) P-C4' energy: -81.167
flat angles C4'-P-C4' energy: -89.254
flat angles P-C4'-P energy: -56.553
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: 6, replica: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -499.752879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.752879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.752879 (E_RNA)
where:
Base-Base interactions energy: -179.206
where: short stacking energy: -162.204
Base-Backbone interact. energy: 0.584
local terms energy: -321.130664
where:
bonds (distance) C4'-P energy: -72.769
bonds (distance) P-C4' energy: -98.514
flat angles C4'-P-C4' energy: -70.534
flat angles P-C4'-P energy: -58.661
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -467.099440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.099440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.099440 (E_RNA)
where:
Base-Base interactions energy: -190.523
where: short stacking energy: -162.691
Base-Backbone interact. energy: 0.569
local terms energy: -277.145562
where:
bonds (distance) C4'-P energy: -70.955
bonds (distance) P-C4' energy: -82.384
flat angles C4'-P-C4' energy: -69.418
flat angles P-C4'-P energy: -41.516
tors. eta vs tors. theta energy: -12.872
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: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -425.320630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.320630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.320630 (E_RNA)
where:
Base-Base interactions energy: -166.587
where: short stacking energy: -149.798
Base-Backbone interact. energy: 2.559
local terms energy: -261.292806
where:
bonds (distance) C4'-P energy: -57.063
bonds (distance) P-C4' energy: -83.554
flat angles C4'-P-C4' energy: -65.744
flat angles P-C4'-P energy: -34.488
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -389.573493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.573493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.573493 (E_RNA)
where:
Base-Base interactions energy: -142.710
where: short stacking energy: -129.704
Base-Backbone interact. energy: -1.529
local terms energy: -245.334576
where:
bonds (distance) C4'-P energy: -74.787
bonds (distance) P-C4' energy: -69.998
flat angles C4'-P-C4' energy: -66.139
flat angles P-C4'-P energy: -41.497
tors. eta vs tors. theta energy: 7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -369.855801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.855801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.855801 (E_RNA)
where:
Base-Base interactions energy: -104.557
where: short stacking energy: -90.819
Base-Backbone interact. energy: -0.319
local terms energy: -264.979458
where:
bonds (distance) C4'-P energy: -79.106
bonds (distance) P-C4' energy: -95.921
flat angles C4'-P-C4' energy: -61.709
flat angles P-C4'-P energy: -41.898
tors. eta vs tors. theta energy: 13.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1256.344495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.344495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.344495 (E_RNA)
where:
Base-Base interactions energy: -753.292
where: short stacking energy: -473.080
Base-Backbone interact. energy: 0.416
local terms energy: -503.468954
where:
bonds (distance) C4'-P energy: -84.901
bonds (distance) P-C4' energy: -91.343
flat angles C4'-P-C4' energy: -104.913
flat angles P-C4'-P energy: -71.742
tors. eta vs tors. theta energy: -150.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1156.411426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.411426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.411426 (E_RNA)
where:
Base-Base interactions energy: -688.945
where: short stacking energy: -401.977
Base-Backbone interact. energy: -0.377
local terms energy: -467.090255
where:
bonds (distance) C4'-P energy: -90.654
bonds (distance) P-C4' energy: -96.386
flat angles C4'-P-C4' energy: -100.131
flat angles P-C4'-P energy: -67.406
tors. eta vs tors. theta energy: -112.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -923.515839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.515839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.515839 (E_RNA)
where:
Base-Base interactions energy: -514.497
where: short stacking energy: -307.608
Base-Backbone interact. energy: 0.137
local terms energy: -409.156318
where:
bonds (distance) C4'-P energy: -90.060
bonds (distance) P-C4' energy: -83.979
flat angles C4'-P-C4' energy: -96.150
flat angles P-C4'-P energy: -61.824
tors. eta vs tors. theta energy: -77.143
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: 7
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -813.214558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.214558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.214558 (E_RNA)
where:
Base-Base interactions energy: -433.902
where: short stacking energy: -269.170
Base-Backbone interact. energy: -0.718
local terms energy: -378.594660
where:
bonds (distance) C4'-P energy: -88.991
bonds (distance) P-C4' energy: -94.537
flat angles C4'-P-C4' energy: -91.543
flat angles P-C4'-P energy: -51.273
tors. eta vs tors. theta energy: -52.250
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: 5, replica: 5
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -650.234725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.234725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.234725 (E_RNA)
where:
Base-Base interactions energy: -316.567
where: short stacking energy: -230.704
Base-Backbone interact. energy: 5.056
local terms energy: -338.723857
where:
bonds (distance) C4'-P energy: -83.028
bonds (distance) P-C4' energy: -82.227
flat angles C4'-P-C4' energy: -87.562
flat angles P-C4'-P energy: -48.652
tors. eta vs tors. theta energy: -37.255
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: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -524.577619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.577619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.577619 (E_RNA)
where:
Base-Base interactions energy: -184.036
where: short stacking energy: -166.116
Base-Backbone interact. energy: -0.325
local terms energy: -340.216428
where:
bonds (distance) C4'-P energy: -90.633
bonds (distance) P-C4' energy: -87.626
flat angles C4'-P-C4' energy: -81.619
flat angles P-C4'-P energy: -59.821
tors. eta vs tors. theta energy: -20.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -469.878169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.878169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.878169 (E_RNA)
where:
Base-Base interactions energy: -180.445
where: short stacking energy: -157.260
Base-Backbone interact. energy: 0.087
local terms energy: -289.520452
where:
bonds (distance) C4'-P energy: -82.762
bonds (distance) P-C4' energy: -75.791
flat angles C4'-P-C4' energy: -71.773
flat angles P-C4'-P energy: -43.768
tors. eta vs tors. theta energy: -15.427
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: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -445.391911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.391911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.391911 (E_RNA)
where:
Base-Base interactions energy: -139.357
where: short stacking energy: -125.205
Base-Backbone interact. energy: 2.343
local terms energy: -308.377431
where:
bonds (distance) C4'-P energy: -93.214
bonds (distance) P-C4' energy: -81.006
flat angles C4'-P-C4' energy: -83.468
flat angles P-C4'-P energy: -45.631
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: 9, replica: 3
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -435.455714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.455714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.455714 (E_RNA)
where:
Base-Base interactions energy: -164.096
where: short stacking energy: -138.238
Base-Backbone interact. energy: 1.791
local terms energy: -273.151437
where:
bonds (distance) C4'-P energy: -66.658
bonds (distance) P-C4' energy: -76.813
flat angles C4'-P-C4' energy: -75.724
flat angles P-C4'-P energy: -40.423
tors. eta vs tors. theta energy: -13.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -382.099115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.099115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.099115 (E_RNA)
where:
Base-Base interactions energy: -124.441
where: short stacking energy: -116.495
Base-Backbone interact. energy: 2.567
local terms energy: -260.225237
where:
bonds (distance) C4'-P energy: -78.461
bonds (distance) P-C4' energy: -72.776
flat angles C4'-P-C4' energy: -75.433
flat angles P-C4'-P energy: -44.001
tors. eta vs tors. theta energy: 10.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1249.166703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.166703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.166703 (E_RNA)
where:
Base-Base interactions energy: -748.422
where: short stacking energy: -474.339
Base-Backbone interact. energy: 0.163
local terms energy: -500.907232
where:
bonds (distance) C4'-P energy: -89.143
bonds (distance) P-C4' energy: -105.597
flat angles C4'-P-C4' energy: -107.671
flat angles P-C4'-P energy: -59.122
tors. eta vs tors. theta energy: -139.375
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: 6
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1117.555271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.555271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.555271 (E_RNA)
where:
Base-Base interactions energy: -660.805
where: short stacking energy: -398.161
Base-Backbone interact. energy: -0.882
local terms energy: -455.869089
where:
bonds (distance) C4'-P energy: -89.166
bonds (distance) P-C4' energy: -90.836
flat angles C4'-P-C4' energy: -101.859
flat angles P-C4'-P energy: -60.966
tors. eta vs tors. theta energy: -113.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -900.906450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.906450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.906450 (E_RNA)
where:
Base-Base interactions energy: -502.687
where: short stacking energy: -280.554
Base-Backbone interact. energy: -1.558
local terms energy: -396.662117
where:
bonds (distance) C4'-P energy: -87.897
bonds (distance) P-C4' energy: -81.757
flat angles C4'-P-C4' energy: -101.022
flat angles P-C4'-P energy: -65.126
tors. eta vs tors. theta energy: -60.861
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: 430
Temperature: 1.050000
Total energy: -796.625037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.625037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.625037 (E_RNA)
where:
Base-Base interactions energy: -432.029
where: short stacking energy: -250.067
Base-Backbone interact. energy: -0.106
local terms energy: -364.489656
where:
bonds (distance) C4'-P energy: -79.863
bonds (distance) P-C4' energy: -86.512
flat angles C4'-P-C4' energy: -89.417
flat angles P-C4'-P energy: -63.209
tors. eta vs tors. theta energy: -45.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -676.189958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.189958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.189958 (E_RNA)
where:
Base-Base interactions energy: -346.826
where: short stacking energy: -194.622
Base-Backbone interact. energy: 1.573
local terms energy: -330.937643
where:
bonds (distance) C4'-P energy: -89.154
bonds (distance) P-C4' energy: -81.229
flat angles C4'-P-C4' energy: -80.441
flat angles P-C4'-P energy: -43.563
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: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -565.885417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.885417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.885417 (E_RNA)
where:
Base-Base interactions energy: -245.277
where: short stacking energy: -208.236
Base-Backbone interact. energy: 4.617
local terms energy: -325.225491
where:
bonds (distance) C4'-P energy: -65.671
bonds (distance) P-C4' energy: -81.492
flat angles C4'-P-C4' energy: -80.986
flat angles P-C4'-P energy: -61.388
tors. eta vs tors. theta energy: -35.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -447.266286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.266286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.266286 (E_RNA)
where:
Base-Base interactions energy: -166.530
where: short stacking energy: -121.570
Base-Backbone interact. energy: 4.580
local terms energy: -285.316293
where:
bonds (distance) C4'-P energy: -82.510
bonds (distance) P-C4' energy: -80.629
flat angles C4'-P-C4' energy: -72.562
flat angles P-C4'-P energy: -48.132
tors. eta vs tors. theta energy: -1.483
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: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -421.827396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.827396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.827396 (E_RNA)
where:
Base-Base interactions energy: -150.153
where: short stacking energy: -135.958
Base-Backbone interact. energy: 2.363
local terms energy: -274.037868
where:
bonds (distance) C4'-P energy: -74.337
bonds (distance) P-C4' energy: -82.652
flat angles C4'-P-C4' energy: -69.064
flat angles P-C4'-P energy: -48.165
tors. eta vs tors. theta energy: 0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -373.901570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.901570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.901570 (E_RNA)
where:
Base-Base interactions energy: -117.151
where: short stacking energy: -98.381
Base-Backbone interact. energy: -0.255
local terms energy: -256.495859
where:
bonds (distance) C4'-P energy: -79.679
bonds (distance) P-C4' energy: -81.095
flat angles C4'-P-C4' energy: -67.904
flat angles P-C4'-P energy: -35.021
tors. eta vs tors. theta energy: 7.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -358.737575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.737575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.737575 (E_RNA)
where:
Base-Base interactions energy: -102.133
where: short stacking energy: -81.453
Base-Backbone interact. energy: 0.233
local terms energy: -256.837269
where:
bonds (distance) C4'-P energy: -72.699
bonds (distance) P-C4' energy: -82.881
flat angles C4'-P-C4' energy: -80.784
flat angles P-C4'-P energy: -34.770
tors. eta vs tors. theta energy: 14.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1250.464170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.464170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.464170 (E_RNA)
where:
Base-Base interactions energy: -750.831
where: short stacking energy: -461.943
Base-Backbone interact. energy: 1.056
local terms energy: -500.689218
where:
bonds (distance) C4'-P energy: -102.991
bonds (distance) P-C4' energy: -94.133
flat angles C4'-P-C4' energy: -99.349
flat angles P-C4'-P energy: -62.673
tors. eta vs tors. theta energy: -141.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1103.244936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.244936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.244936 (E_RNA)
where:
Base-Base interactions energy: -655.685
where: short stacking energy: -382.695
Base-Backbone interact. energy: -0.994
local terms energy: -446.565603
where:
bonds (distance) C4'-P energy: -75.980
bonds (distance) P-C4' energy: -87.838
flat angles C4'-P-C4' energy: -98.259
flat angles P-C4'-P energy: -65.595
tors. eta vs tors. theta energy: -118.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -941.480053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.480053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.480053 (E_RNA)
where:
Base-Base interactions energy: -531.010
where: short stacking energy: -314.642
Base-Backbone interact. energy: -1.194
local terms energy: -409.276183
where:
bonds (distance) C4'-P energy: -79.276
bonds (distance) P-C4' energy: -93.620
flat angles C4'-P-C4' energy: -95.567
flat angles P-C4'-P energy: -63.499
tors. eta vs tors. theta energy: -77.314
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: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -768.032582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.032582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.032582 (E_RNA)
where:
Base-Base interactions energy: -397.278
where: short stacking energy: -243.430
Base-Backbone interact. energy: 1.796
local terms energy: -372.550255
where:
bonds (distance) C4'-P energy: -77.239
bonds (distance) P-C4' energy: -94.152
flat angles C4'-P-C4' energy: -94.595
flat angles P-C4'-P energy: -56.946
tors. eta vs tors. theta energy: -49.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -712.824637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.824637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.824637 (E_RNA)
where:
Base-Base interactions energy: -355.914
where: short stacking energy: -239.403
Base-Backbone interact. energy: -1.197
local terms energy: -355.712687
where:
bonds (distance) C4'-P energy: -78.175
bonds (distance) P-C4' energy: -86.660
flat angles C4'-P-C4' energy: -72.547
flat angles P-C4'-P energy: -63.674
tors. eta vs tors. theta energy: -54.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -467.706816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.706816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.706816 (E_RNA)
where:
Base-Base interactions energy: -186.450
where: short stacking energy: -151.821
Base-Backbone interact. energy: 3.054
local terms energy: -284.310534
where:
bonds (distance) C4'-P energy: -78.297
bonds (distance) P-C4' energy: -94.983
flat angles C4'-P-C4' energy: -65.016
flat angles P-C4'-P energy: -42.743
tors. eta vs tors. theta energy: -3.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -469.516305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.516305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.516305 (E_RNA)
where:
Base-Base interactions energy: -191.668
where: short stacking energy: -146.706
Base-Backbone interact. energy: 1.270
local terms energy: -279.117589
where:
bonds (distance) C4'-P energy: -59.693
bonds (distance) P-C4' energy: -98.206
flat angles C4'-P-C4' energy: -81.152
flat angles P-C4'-P energy: -43.522
tors. eta vs tors. theta energy: 3.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -414.954333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.954333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.954333 (E_RNA)
where:
Base-Base interactions energy: -131.850
where: short stacking energy: -120.281
Base-Backbone interact. energy: -1.909
local terms energy: -281.195033
where:
bonds (distance) C4'-P energy: -79.955
bonds (distance) P-C4' energy: -86.160
flat angles C4'-P-C4' energy: -70.824
flat angles P-C4'-P energy: -46.428
tors. eta vs tors. theta energy: 2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -370.661842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.661842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.661842 (E_RNA)
where:
Base-Base interactions energy: -119.452
where: short stacking energy: -106.264
Base-Backbone interact. energy: -0.108
local terms energy: -251.102020
where:
bonds (distance) C4'-P energy: -74.466
bonds (distance) P-C4' energy: -72.569
flat angles C4'-P-C4' energy: -80.995
flat angles P-C4'-P energy: -28.337
tors. eta vs tors. theta energy: 5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -348.634505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.634505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.634505 (E_RNA)
where:
Base-Base interactions energy: -93.190
where: short stacking energy: -75.224
Base-Backbone interact. energy: -2.708
local terms energy: -252.736954
where:
bonds (distance) C4'-P energy: -81.246
bonds (distance) P-C4' energy: -86.484
flat angles C4'-P-C4' energy: -74.219
flat angles P-C4'-P energy: -36.887
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: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1242.442337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.442337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.442337 (E_RNA)
where:
Base-Base interactions energy: -747.646
where: short stacking energy: -477.719
Base-Backbone interact. energy: 0.455
local terms energy: -495.251808
where:
bonds (distance) C4'-P energy: -86.254
bonds (distance) P-C4' energy: -97.971
flat angles C4'-P-C4' energy: -99.637
flat angles P-C4'-P energy: -71.182
tors. eta vs tors. theta energy: -140.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1121.444175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.444175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.444175 (E_RNA)
where:
Base-Base interactions energy: -673.351
where: short stacking energy: -380.263
Base-Backbone interact. energy: -1.351
local terms energy: -446.741675
where:
bonds (distance) C4'-P energy: -95.414
bonds (distance) P-C4' energy: -90.057
flat angles C4'-P-C4' energy: -103.888
flat angles P-C4'-P energy: -55.676
tors. eta vs tors. theta energy: -101.706
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: 10
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -956.312069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.312069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.312069 (E_RNA)
where:
Base-Base interactions energy: -528.209
where: short stacking energy: -312.578
Base-Backbone interact. energy: -1.204
local terms energy: -426.899909
where:
bonds (distance) C4'-P energy: -81.537
bonds (distance) P-C4' energy: -90.800
flat angles C4'-P-C4' energy: -94.937
flat angles P-C4'-P energy: -74.286
tors. eta vs tors. theta energy: -85.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -757.419659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.419659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.419659 (E_RNA)
where:
Base-Base interactions energy: -367.059
where: short stacking energy: -242.618
Base-Backbone interact. energy: -1.732
local terms energy: -388.628676
where:
bonds (distance) C4'-P energy: -95.387
bonds (distance) P-C4' energy: -92.041
flat angles C4'-P-C4' energy: -83.348
flat angles P-C4'-P energy: -62.088
tors. eta vs tors. theta energy: -55.765
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: 5
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -640.706543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.706543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.706543 (E_RNA)
where:
Base-Base interactions energy: -295.404
where: short stacking energy: -201.770
Base-Backbone interact. energy: -2.420
local terms energy: -342.882954
where:
bonds (distance) C4'-P energy: -77.495
bonds (distance) P-C4' energy: -93.959
flat angles C4'-P-C4' energy: -81.882
flat angles P-C4'-P energy: -49.050
tors. eta vs tors. theta energy: -40.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -495.427750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.427750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.427750 (E_RNA)
where:
Base-Base interactions energy: -168.388
where: short stacking energy: -152.879
Base-Backbone interact. energy: 3.581
local terms energy: -330.620917
where:
bonds (distance) C4'-P energy: -89.417
bonds (distance) P-C4' energy: -96.688
flat angles C4'-P-C4' energy: -86.209
flat angles P-C4'-P energy: -44.756
tors. eta vs tors. theta energy: -13.550
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: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -479.805212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.805212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.805212 (E_RNA)
where:
Base-Base interactions energy: -187.198
where: short stacking energy: -151.484
Base-Backbone interact. energy: -0.193
local terms energy: -292.413696
where:
bonds (distance) C4'-P energy: -76.000
bonds (distance) P-C4' energy: -79.444
flat angles C4'-P-C4' energy: -80.064
flat angles P-C4'-P energy: -45.347
tors. eta vs tors. theta energy: -11.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -399.589595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.589595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.589595 (E_RNA)
where:
Base-Base interactions energy: -121.110
where: short stacking energy: -119.915
Base-Backbone interact. energy: 1.594
local terms energy: -280.073812
where:
bonds (distance) C4'-P energy: -76.101
bonds (distance) P-C4' energy: -75.561
flat angles C4'-P-C4' energy: -76.039
flat angles P-C4'-P energy: -49.300
tors. eta vs tors. theta energy: -3.073
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: 432
Temperature: 1.300000
Total energy: -399.220516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.220516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.220516 (E_RNA)
where:
Base-Base interactions energy: -153.037
where: short stacking energy: -140.229
Base-Backbone interact. energy: -0.142
local terms energy: -246.040745
where:
bonds (distance) C4'-P energy: -81.150
bonds (distance) P-C4' energy: -78.038
flat angles C4'-P-C4' energy: -64.224
flat angles P-C4'-P energy: -38.455
tors. eta vs tors. theta energy: 15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -354.553736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.553736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.553736 (E_RNA)
where:
Base-Base interactions energy: -106.414
where: short stacking energy: -87.857
Base-Backbone interact. energy: -2.633
local terms energy: -245.506995
where:
bonds (distance) C4'-P energy: -73.144
bonds (distance) P-C4' energy: -78.732
flat angles C4'-P-C4' energy: -59.380
flat angles P-C4'-P energy: -45.443
tors. eta vs tors. theta energy: 11.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1212.112809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.112809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.112809 (E_RNA)
where:
Base-Base interactions energy: -704.365
where: short stacking energy: -443.428
Base-Backbone interact. energy: -1.478
local terms energy: -506.269980
where:
bonds (distance) C4'-P energy: -93.704
bonds (distance) P-C4' energy: -95.160
flat angles C4'-P-C4' energy: -105.184
flat angles P-C4'-P energy: -78.326
tors. eta vs tors. theta energy: -133.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1118.221426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.221426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.221426 (E_RNA)
where:
Base-Base interactions energy: -665.082
where: short stacking energy: -372.372
Base-Backbone interact. energy: -0.428
local terms energy: -452.710904
where:
bonds (distance) C4'-P energy: -90.266
bonds (distance) P-C4' energy: -91.521
flat angles C4'-P-C4' energy: -102.823
flat angles P-C4'-P energy: -65.515
tors. eta vs tors. theta energy: -102.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -913.639649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.639649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.639649 (E_RNA)
where:
Base-Base interactions energy: -504.523
where: short stacking energy: -276.970
Base-Backbone interact. energy: -1.375
local terms energy: -407.741706
where:
bonds (distance) C4'-P energy: -90.203
bonds (distance) P-C4' energy: -106.423
flat angles C4'-P-C4' energy: -87.143
flat angles P-C4'-P energy: -64.940
tors. eta vs tors. theta energy: -59.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -755.929810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.929810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.929810 (E_RNA)
where:
Base-Base interactions energy: -375.655
where: short stacking energy: -235.790
Base-Backbone interact. energy: -2.038
local terms energy: -378.236447
where:
bonds (distance) C4'-P energy: -96.659
bonds (distance) P-C4' energy: -83.405
flat angles C4'-P-C4' energy: -95.426
flat angles P-C4'-P energy: -52.299
tors. eta vs tors. theta energy: -50.447
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: 433
Temperature: 1.100000
Total energy: -675.838335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.838335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.838335 (E_RNA)
where:
Base-Base interactions energy: -335.977
where: short stacking energy: -223.280
Base-Backbone interact. energy: 1.796
local terms energy: -341.657349
where:
bonds (distance) C4'-P energy: -88.908
bonds (distance) P-C4' energy: -77.115
flat angles C4'-P-C4' energy: -94.356
flat angles P-C4'-P energy: -47.553
tors. eta vs tors. theta energy: -33.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -487.438321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.438321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.438321 (E_RNA)
where:
Base-Base interactions energy: -163.019
where: short stacking energy: -157.851
Base-Backbone interact. energy: -0.401
local terms energy: -324.018004
where:
bonds (distance) C4'-P energy: -84.575
bonds (distance) P-C4' energy: -92.259
flat angles C4'-P-C4' energy: -79.240
flat angles P-C4'-P energy: -47.662
tors. eta vs tors. theta energy: -20.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -456.527813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.527813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.527813 (E_RNA)
where:
Base-Base interactions energy: -155.717
where: short stacking energy: -149.728
Base-Backbone interact. energy: -1.181
local terms energy: -299.629837
where:
bonds (distance) C4'-P energy: -80.671
bonds (distance) P-C4' energy: -89.500
flat angles C4'-P-C4' energy: -62.874
flat angles P-C4'-P energy: -55.203
tors. eta vs tors. theta energy: -11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -428.800017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.800017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.800017 (E_RNA)
where:
Base-Base interactions energy: -146.536
where: short stacking energy: -145.702
Base-Backbone interact. energy: -0.842
local terms energy: -281.421788
where:
bonds (distance) C4'-P energy: -74.521
bonds (distance) P-C4' energy: -72.805
flat angles C4'-P-C4' energy: -78.913
flat angles P-C4'-P energy: -56.564
tors. eta vs tors. theta energy: 1.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -393.807158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.807158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.807158 (E_RNA)
where:
Base-Base interactions energy: -107.890
where: short stacking energy: -96.767
Base-Backbone interact. energy: 1.173
local terms energy: -287.089607
where:
bonds (distance) C4'-P energy: -82.885
bonds (distance) P-C4' energy: -78.836
flat angles C4'-P-C4' energy: -76.815
flat angles P-C4'-P energy: -52.352
tors. eta vs tors. theta energy: 3.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -358.989809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.989809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.989809 (E_RNA)
where:
Base-Base interactions energy: -136.488
where: short stacking energy: -124.968
Base-Backbone interact. energy: 0.672
local terms energy: -223.173745
where:
bonds (distance) C4'-P energy: -66.909
bonds (distance) P-C4' energy: -75.180
flat angles C4'-P-C4' energy: -54.206
flat angles P-C4'-P energy: -36.960
tors. eta vs tors. theta energy: 10.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1218.168085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.168085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.168085 (E_RNA)
where:
Base-Base interactions energy: -734.501
where: short stacking energy: -452.702
Base-Backbone interact. energy: 0.524
local terms energy: -484.191012
where:
bonds (distance) C4'-P energy: -87.451
bonds (distance) P-C4' energy: -91.066
flat angles C4'-P-C4' energy: -106.756
flat angles P-C4'-P energy: -59.959
tors. eta vs tors. theta energy: -138.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1123.274643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.274643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.274643 (E_RNA)
where:
Base-Base interactions energy: -650.520
where: short stacking energy: -365.797
Base-Backbone interact. energy: 2.417
local terms energy: -475.171979
where:
bonds (distance) C4'-P energy: -96.262
bonds (distance) P-C4' energy: -102.742
flat angles C4'-P-C4' energy: -101.388
flat angles P-C4'-P energy: -74.657
tors. eta vs tors. theta energy: -100.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -924.818810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.818810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.818810 (E_RNA)
where:
Base-Base interactions energy: -518.407
where: short stacking energy: -310.572
Base-Backbone interact. energy: -0.086
local terms energy: -406.325754
where:
bonds (distance) C4'-P energy: -87.059
bonds (distance) P-C4' energy: -93.707
flat angles C4'-P-C4' energy: -86.713
flat angles P-C4'-P energy: -63.096
tors. eta vs tors. theta energy: -75.752
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: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -774.923767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.923767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.923767 (E_RNA)
where:
Base-Base interactions energy: -386.088
where: short stacking energy: -264.974
Base-Backbone interact. energy: -1.100
local terms energy: -387.734806
where:
bonds (distance) C4'-P energy: -87.623
bonds (distance) P-C4' energy: -88.923
flat angles C4'-P-C4' energy: -96.335
flat angles P-C4'-P energy: -41.998
tors. eta vs tors. theta energy: -72.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -676.089787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.089787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.089787 (E_RNA)
where:
Base-Base interactions energy: -336.437
where: short stacking energy: -239.530
Base-Backbone interact. energy: -3.427
local terms energy: -336.225751
where:
bonds (distance) C4'-P energy: -88.618
bonds (distance) P-C4' energy: -80.949
flat angles C4'-P-C4' energy: -79.534
flat angles P-C4'-P energy: -45.760
tors. eta vs tors. theta energy: -41.364
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: 4
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -519.663823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.663823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.663823 (E_RNA)
where:
Base-Base interactions energy: -193.135
where: short stacking energy: -180.657
Base-Backbone interact. energy: -0.166
local terms energy: -326.362723
where:
bonds (distance) C4'-P energy: -67.460
bonds (distance) P-C4' energy: -92.050
flat angles C4'-P-C4' energy: -96.102
flat angles P-C4'-P energy: -44.530
tors. eta vs tors. theta energy: -26.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -473.881409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.881409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.881409 (E_RNA)
where:
Base-Base interactions energy: -159.242
where: short stacking energy: -151.522
Base-Backbone interact. energy: -1.784
local terms energy: -312.855430
where:
bonds (distance) C4'-P energy: -87.015
bonds (distance) P-C4' energy: -92.456
flat angles C4'-P-C4' energy: -84.374
flat angles P-C4'-P energy: -41.681
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: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -397.268485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.268485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.268485 (E_RNA)
where:
Base-Base interactions energy: -120.421
where: short stacking energy: -108.651
Base-Backbone interact. energy: -0.890
local terms energy: -275.957417
where:
bonds (distance) C4'-P energy: -76.376
bonds (distance) P-C4' energy: -75.742
flat angles C4'-P-C4' energy: -73.768
flat angles P-C4'-P energy: -47.092
tors. eta vs tors. theta energy: -2.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -367.992341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.992341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.992341 (E_RNA)
where:
Base-Base interactions energy: -117.373
where: short stacking energy: -107.271
Base-Backbone interact. energy: 3.471
local terms energy: -254.090605
where:
bonds (distance) C4'-P energy: -81.998
bonds (distance) P-C4' energy: -69.476
flat angles C4'-P-C4' energy: -69.667
flat angles P-C4'-P energy: -44.469
tors. eta vs tors. theta energy: 11.519
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: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -342.625327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.625327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.625327 (E_RNA)
where:
Base-Base interactions energy: -122.080
where: short stacking energy: -93.757
Base-Backbone interact. energy: 1.390
local terms energy: -221.935749
where:
bonds (distance) C4'-P energy: -70.330
bonds (distance) P-C4' energy: -74.148
flat angles C4'-P-C4' energy: -60.716
flat angles P-C4'-P energy: -42.146
tors. eta vs tors. theta energy: 25.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1227.950916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.950916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.950916 (E_RNA)
where:
Base-Base interactions energy: -741.100
where: short stacking energy: -433.971
Base-Backbone interact. energy: -0.452
local terms energy: -486.398466
where:
bonds (distance) C4'-P energy: -83.010
bonds (distance) P-C4' energy: -89.531
flat angles C4'-P-C4' energy: -104.718
flat angles P-C4'-P energy: -72.810
tors. eta vs tors. theta energy: -136.330
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: 6
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1208.106400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.106400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.106400 (E_RNA)
where:
Base-Base interactions energy: -722.638
where: short stacking energy: -429.138
Base-Backbone interact. energy: 1.769
local terms energy: -487.237205
where:
bonds (distance) C4'-P energy: -87.522
bonds (distance) P-C4' energy: -93.309
flat angles C4'-P-C4' energy: -108.346
flat angles P-C4'-P energy: -59.342
tors. eta vs tors. theta energy: -138.719
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: 3, replica: 10
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -895.362946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.362946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.362946 (E_RNA)
where:
Base-Base interactions energy: -472.673
where: short stacking energy: -289.163
Base-Backbone interact. energy: -3.151
local terms energy: -419.539069
where:
bonds (distance) C4'-P energy: -83.499
bonds (distance) P-C4' energy: -96.504
flat angles C4'-P-C4' energy: -97.015
flat angles P-C4'-P energy: -64.115
tors. eta vs tors. theta energy: -78.405
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: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -723.330071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.330071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.330071 (E_RNA)
where:
Base-Base interactions energy: -361.733
where: short stacking energy: -259.664
Base-Backbone interact. energy: 1.333
local terms energy: -362.929934
where:
bonds (distance) C4'-P energy: -80.557
bonds (distance) P-C4' energy: -84.214
flat angles C4'-P-C4' energy: -83.298
flat angles P-C4'-P energy: -53.189
tors. eta vs tors. theta energy: -61.671
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: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -755.145369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.145369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.145369 (E_RNA)
where:
Base-Base interactions energy: -393.041
where: short stacking energy: -243.234
Base-Backbone interact. energy: -0.933
local terms energy: -361.171095
where:
bonds (distance) C4'-P energy: -73.326
bonds (distance) P-C4' energy: -93.089
flat angles C4'-P-C4' energy: -91.514
flat angles P-C4'-P energy: -55.116
tors. eta vs tors. theta energy: -48.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -494.205555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.205555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.205555 (E_RNA)
where:
Base-Base interactions energy: -180.966
where: short stacking energy: -161.997
Base-Backbone interact. energy: -3.141
local terms energy: -310.099187
where:
bonds (distance) C4'-P energy: -67.979
bonds (distance) P-C4' energy: -92.446
flat angles C4'-P-C4' energy: -76.457
flat angles P-C4'-P energy: -50.762
tors. eta vs tors. theta energy: -22.454
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: 9
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -444.946920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.946920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.946920 (E_RNA)
where:
Base-Base interactions energy: -182.904
where: short stacking energy: -128.191
Base-Backbone interact. energy: 3.646
local terms energy: -265.688618
where:
bonds (distance) C4'-P energy: -89.076
bonds (distance) P-C4' energy: -86.135
flat angles C4'-P-C4' energy: -68.013
flat angles P-C4'-P energy: -39.988
tors. eta vs tors. theta energy: 17.523
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: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -398.883781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.883781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.883781 (E_RNA)
where:
Base-Base interactions energy: -138.074
where: short stacking energy: -122.531
Base-Backbone interact. energy: -0.226
local terms energy: -260.584019
where:
bonds (distance) C4'-P energy: -85.321
bonds (distance) P-C4' energy: -73.778
flat angles C4'-P-C4' energy: -71.223
flat angles P-C4'-P energy: -39.973
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: 9, replica: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -374.357468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.357468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.357468 (E_RNA)
where:
Base-Base interactions energy: -107.786
where: short stacking energy: -82.603
Base-Backbone interact. energy: 1.256
local terms energy: -267.826678
where:
bonds (distance) C4'-P energy: -79.898
bonds (distance) P-C4' energy: -76.752
flat angles C4'-P-C4' energy: -74.333
flat angles P-C4'-P energy: -40.567
tors. eta vs tors. theta energy: 3.724
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: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -361.210756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.210756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.210756 (E_RNA)
where:
Base-Base interactions energy: -122.736
where: short stacking energy: -93.833
Base-Backbone interact. energy: -0.967
local terms energy: -237.507921
where:
bonds (distance) C4'-P energy: -59.482
bonds (distance) P-C4' energy: -75.771
flat angles C4'-P-C4' energy: -71.532
flat angles P-C4'-P energy: -40.538
tors. eta vs tors. theta energy: 9.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1280.885224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.885224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.885224 (E_RNA)
where:
Base-Base interactions energy: -759.936
where: short stacking energy: -449.688
Base-Backbone interact. energy: -2.166
local terms energy: -518.782997
where:
bonds (distance) C4'-P energy: -103.840
bonds (distance) P-C4' energy: -101.979
flat angles C4'-P-C4' energy: -104.837
flat angles P-C4'-P energy: -72.725
tors. eta vs tors. theta energy: -135.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1154.216289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.216289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.216289 (E_RNA)
where:
Base-Base interactions energy: -675.761
where: short stacking energy: -418.945
Base-Backbone interact. energy: -2.271
local terms energy: -476.183635
where:
bonds (distance) C4'-P energy: -86.324
bonds (distance) P-C4' energy: -82.449
flat angles C4'-P-C4' energy: -97.893
flat angles P-C4'-P energy: -74.552
tors. eta vs tors. theta energy: -134.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -924.993915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.993915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.993915 (E_RNA)
where:
Base-Base interactions energy: -534.478
where: short stacking energy: -306.990
Base-Backbone interact. energy: 0.809
local terms energy: -391.324986
where:
bonds (distance) C4'-P energy: -80.795
bonds (distance) P-C4' energy: -72.869
flat angles C4'-P-C4' energy: -92.723
flat angles P-C4'-P energy: -68.353
tors. eta vs tors. theta energy: -76.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -776.255722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.255722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.255722 (E_RNA)
where:
Base-Base interactions energy: -387.253
where: short stacking energy: -259.168
Base-Backbone interact. energy: 2.086
local terms energy: -391.088427
where:
bonds (distance) C4'-P energy: -76.896
bonds (distance) P-C4' energy: -94.352
flat angles C4'-P-C4' energy: -96.164
flat angles P-C4'-P energy: -58.635
tors. eta vs tors. theta energy: -65.041
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: 5, replica: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -791.950196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.950196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.950196 (E_RNA)
where:
Base-Base interactions energy: -405.076
where: short stacking energy: -252.499
Base-Backbone interact. energy: -3.001
local terms energy: -383.872970
where:
bonds (distance) C4'-P energy: -102.186
bonds (distance) P-C4' energy: -81.145
flat angles C4'-P-C4' energy: -88.351
flat angles P-C4'-P energy: -57.172
tors. eta vs tors. theta energy: -55.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -496.064851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.064851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.064851 (E_RNA)
where:
Base-Base interactions energy: -185.388
where: short stacking energy: -162.795
Base-Backbone interact. energy: -1.378
local terms energy: -309.298603
where:
bonds (distance) C4'-P energy: -87.758
bonds (distance) P-C4' energy: -77.979
flat angles C4'-P-C4' energy: -73.829
flat angles P-C4'-P energy: -43.505
tors. eta vs tors. theta energy: -26.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -467.328239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.328239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.328239 (E_RNA)
where:
Base-Base interactions energy: -168.205
where: short stacking energy: -166.048
Base-Backbone interact. energy: -1.959
local terms energy: -297.164517
where:
bonds (distance) C4'-P energy: -80.481
bonds (distance) P-C4' energy: -81.358
flat angles C4'-P-C4' energy: -68.364
flat angles P-C4'-P energy: -48.762
tors. eta vs tors. theta energy: -18.199
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: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -426.498743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.498743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.498743 (E_RNA)
where:
Base-Base interactions energy: -146.094
where: short stacking energy: -122.589
Base-Backbone interact. energy: -1.851
local terms energy: -278.553743
where:
bonds (distance) C4'-P energy: -78.116
bonds (distance) P-C4' energy: -81.211
flat angles C4'-P-C4' energy: -85.145
flat angles P-C4'-P energy: -40.222
tors. eta vs tors. theta energy: 6.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -385.812412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.812412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.812412 (E_RNA)
where:
Base-Base interactions energy: -134.383
where: short stacking energy: -104.357
Base-Backbone interact. energy: -0.546
local terms energy: -250.883971
where:
bonds (distance) C4'-P energy: -83.166
bonds (distance) P-C4' energy: -79.356
flat angles C4'-P-C4' energy: -65.622
flat angles P-C4'-P energy: -48.971
tors. eta vs tors. theta energy: 26.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -338.548992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.548992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.548992 (E_RNA)
where:
Base-Base interactions energy: -112.749
where: short stacking energy: -92.895
Base-Backbone interact. energy: 3.403
local terms energy: -229.203138
where:
bonds (distance) C4'-P energy: -70.675
bonds (distance) P-C4' energy: -71.033
flat angles C4'-P-C4' energy: -64.024
flat angles P-C4'-P energy: -32.050
tors. eta vs tors. theta energy: 8.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1260.488110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.488110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.488110 (E_RNA)
where:
Base-Base interactions energy: -769.266
where: short stacking energy: -448.695
Base-Backbone interact. energy: 0.757
local terms energy: -491.979360
where:
bonds (distance) C4'-P energy: -85.864
bonds (distance) P-C4' energy: -101.917
flat angles C4'-P-C4' energy: -111.581
flat angles P-C4'-P energy: -59.883
tors. eta vs tors. theta energy: -132.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1164.694297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.694297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.694297 (E_RNA)
where:
Base-Base interactions energy: -693.886
where: short stacking energy: -410.556
Base-Backbone interact. energy: -0.067
local terms energy: -470.741815
where:
bonds (distance) C4'-P energy: -78.946
bonds (distance) P-C4' energy: -99.575
flat angles C4'-P-C4' energy: -98.321
flat angles P-C4'-P energy: -70.259
tors. eta vs tors. theta energy: -123.641
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: 10
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -987.213916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.213916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.213916 (E_RNA)
where:
Base-Base interactions energy: -575.453
where: short stacking energy: -306.875
Base-Backbone interact. energy: 0.334
local terms energy: -412.094617
where:
bonds (distance) C4'-P energy: -89.429
bonds (distance) P-C4' energy: -87.719
flat angles C4'-P-C4' energy: -97.313
flat angles P-C4'-P energy: -57.689
tors. eta vs tors. theta energy: -79.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -726.482352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.482352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.482352 (E_RNA)
where:
Base-Base interactions energy: -355.758
where: short stacking energy: -235.348
Base-Backbone interact. energy: -0.321
local terms energy: -370.403593
where:
bonds (distance) C4'-P energy: -88.781
bonds (distance) P-C4' energy: -95.934
flat angles C4'-P-C4' energy: -85.778
flat angles P-C4'-P energy: -50.155
tors. eta vs tors. theta energy: -49.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -768.402296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.402296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.402296 (E_RNA)
where:
Base-Base interactions energy: -401.299
where: short stacking energy: -236.864
Base-Backbone interact. energy: -1.195
local terms energy: -365.908448
where:
bonds (distance) C4'-P energy: -88.967
bonds (distance) P-C4' energy: -96.345
flat angles C4'-P-C4' energy: -76.017
flat angles P-C4'-P energy: -55.423
tors. eta vs tors. theta energy: -49.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -480.156168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.156168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.156168 (E_RNA)
where:
Base-Base interactions energy: -179.164
where: short stacking energy: -137.988
Base-Backbone interact. energy: -1.377
local terms energy: -299.614878
where:
bonds (distance) C4'-P energy: -78.244
bonds (distance) P-C4' energy: -84.598
flat angles C4'-P-C4' energy: -73.245
flat angles P-C4'-P energy: -57.094
tors. eta vs tors. theta energy: -6.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -468.907574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.907574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.907574 (E_RNA)
where:
Base-Base interactions energy: -173.838
where: short stacking energy: -133.592
Base-Backbone interact. energy: -0.871
local terms energy: -294.198203
where:
bonds (distance) C4'-P energy: -80.440
bonds (distance) P-C4' energy: -93.153
flat angles C4'-P-C4' energy: -71.405
flat angles P-C4'-P energy: -41.763
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -453.450048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.450048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.450048 (E_RNA)
where:
Base-Base interactions energy: -167.795
where: short stacking energy: -115.555
Base-Backbone interact. energy: -0.447
local terms energy: -285.208613
where:
bonds (distance) C4'-P energy: -81.112
bonds (distance) P-C4' energy: -89.245
flat angles C4'-P-C4' energy: -71.392
flat angles P-C4'-P energy: -43.896
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: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -378.067768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.067768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.067768 (E_RNA)
where:
Base-Base interactions energy: -122.659
where: short stacking energy: -115.113
Base-Backbone interact. energy: 7.082
local terms energy: -262.490831
where:
bonds (distance) C4'-P energy: -80.224
bonds (distance) P-C4' energy: -95.174
flat angles C4'-P-C4' energy: -52.979
flat angles P-C4'-P energy: -45.105
tors. eta vs tors. theta energy: 10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -397.410215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.410215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.410215 (E_RNA)
where:
Base-Base interactions energy: -137.758
where: short stacking energy: -114.525
Base-Backbone interact. energy: -1.183
local terms energy: -258.469822
where:
bonds (distance) C4'-P energy: -76.589
bonds (distance) P-C4' energy: -77.951
flat angles C4'-P-C4' energy: -69.848
flat angles P-C4'-P energy: -38.806
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: 1, replica: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1210.173976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.173976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.173976 (E_RNA)
where:
Base-Base interactions energy: -748.426
where: short stacking energy: -425.412
Base-Backbone interact. energy: -0.856
local terms energy: -460.891543
where:
bonds (distance) C4'-P energy: -89.077
bonds (distance) P-C4' energy: -77.870
flat angles C4'-P-C4' energy: -106.872
flat angles P-C4'-P energy: -60.621
tors. eta vs tors. theta energy: -126.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1151.157340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.157340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.157340 (E_RNA)
where:
Base-Base interactions energy: -669.705
where: short stacking energy: -408.408
Base-Backbone interact. energy: -1.067
local terms energy: -480.384481
where:
bonds (distance) C4'-P energy: -92.698
bonds (distance) P-C4' energy: -98.898
flat angles C4'-P-C4' energy: -93.677
flat angles P-C4'-P energy: -73.433
tors. eta vs tors. theta energy: -121.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1006.650473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.650473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.650473 (E_RNA)
where:
Base-Base interactions energy: -598.675
where: short stacking energy: -312.294
Base-Backbone interact. energy: -3.132
local terms energy: -404.843103
where:
bonds (distance) C4'-P energy: -81.005
bonds (distance) P-C4' energy: -87.094
flat angles C4'-P-C4' energy: -94.100
flat angles P-C4'-P energy: -61.844
tors. eta vs tors. theta energy: -80.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -733.132513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.132513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.132513 (E_RNA)
where:
Base-Base interactions energy: -363.983
where: short stacking energy: -257.772
Base-Backbone interact. energy: 0.337
local terms energy: -369.486355
where:
bonds (distance) C4'-P energy: -89.063
bonds (distance) P-C4' energy: -83.666
flat angles C4'-P-C4' energy: -72.830
flat angles P-C4'-P energy: -58.032
tors. eta vs tors. theta energy: -65.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -754.966885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.966885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.966885 (E_RNA)
where:
Base-Base interactions energy: -440.110
where: short stacking energy: -250.012
Base-Backbone interact. energy: 2.360
local terms energy: -317.216678
where:
bonds (distance) C4'-P energy: -89.411
bonds (distance) P-C4' energy: -82.335
flat angles C4'-P-C4' energy: -75.650
flat angles P-C4'-P energy: -36.705
tors. eta vs tors. theta energy: -33.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -514.753908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.753908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.753908 (E_RNA)
where:
Base-Base interactions energy: -212.921
where: short stacking energy: -167.439
Base-Backbone interact. energy: -0.870
local terms energy: -300.962778
where:
bonds (distance) C4'-P energy: -79.063
bonds (distance) P-C4' energy: -86.091
flat angles C4'-P-C4' energy: -71.338
flat angles P-C4'-P energy: -49.088
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -459.805303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.805303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.805303 (E_RNA)
where:
Base-Base interactions energy: -166.574
where: short stacking energy: -162.030
Base-Backbone interact. energy: -0.563
local terms energy: -292.668227
where:
bonds (distance) C4'-P energy: -76.719
bonds (distance) P-C4' energy: -85.933
flat angles C4'-P-C4' energy: -67.971
flat angles P-C4'-P energy: -40.381
tors. eta vs tors. theta energy: -21.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -410.159666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.159666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.159666 (E_RNA)
where:
Base-Base interactions energy: -159.173
where: short stacking energy: -119.756
Base-Backbone interact. energy: 1.735
local terms energy: -252.721999
where:
bonds (distance) C4'-P energy: -71.463
bonds (distance) P-C4' energy: -81.537
flat angles C4'-P-C4' energy: -74.531
flat angles P-C4'-P energy: -30.247
tors. eta vs tors. theta energy: 5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -411.441486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.441486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.441486 (E_RNA)
where:
Base-Base interactions energy: -177.745
where: short stacking energy: -135.897
Base-Backbone interact. energy: 1.248
local terms energy: -234.944340
where:
bonds (distance) C4'-P energy: -66.750
bonds (distance) P-C4' energy: -77.651
flat angles C4'-P-C4' energy: -62.096
flat angles P-C4'-P energy: -35.989
tors. eta vs tors. theta energy: 7.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -356.023992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.023992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.023992 (E_RNA)
where:
Base-Base interactions energy: -111.113
where: short stacking energy: -84.487
Base-Backbone interact. energy: 2.363
local terms energy: -247.274253
where:
bonds (distance) C4'-P energy: -71.539
bonds (distance) P-C4' energy: -78.272
flat angles C4'-P-C4' energy: -62.161
flat angles P-C4'-P energy: -54.199
tors. eta vs tors. theta energy: 18.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1228.218096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.218096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.218096 (E_RNA)
where:
Base-Base interactions energy: -741.833
where: short stacking energy: -439.111
Base-Backbone interact. energy: -2.474
local terms energy: -483.910837
where:
bonds (distance) C4'-P energy: -95.037
bonds (distance) P-C4' energy: -90.117
flat angles C4'-P-C4' energy: -96.287
flat angles P-C4'-P energy: -70.536
tors. eta vs tors. theta energy: -131.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1154.901680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.901680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.901680 (E_RNA)
where:
Base-Base interactions energy: -684.663
where: short stacking energy: -427.953
Base-Backbone interact. energy: -0.577
local terms energy: -469.661276
where:
bonds (distance) C4'-P energy: -77.866
bonds (distance) P-C4' energy: -90.652
flat angles C4'-P-C4' energy: -114.432
flat angles P-C4'-P energy: -66.264
tors. eta vs tors. theta energy: -120.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -955.930400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.930400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.930400 (E_RNA)
where:
Base-Base interactions energy: -550.596
where: short stacking energy: -295.667
Base-Backbone interact. energy: -4.809
local terms energy: -400.525780
where:
bonds (distance) C4'-P energy: -90.057
bonds (distance) P-C4' energy: -92.555
flat angles C4'-P-C4' energy: -84.178
flat angles P-C4'-P energy: -62.412
tors. eta vs tors. theta energy: -71.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -848.427347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.427347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.427347 (E_RNA)
where:
Base-Base interactions energy: -482.559
where: short stacking energy: -293.032
Base-Backbone interact. energy: -1.589
local terms energy: -364.279708
where:
bonds (distance) C4'-P energy: -72.543
bonds (distance) P-C4' energy: -79.009
flat angles C4'-P-C4' energy: -78.654
flat angles P-C4'-P energy: -53.864
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: 5, replica: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -695.816766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.816766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.816766 (E_RNA)
where:
Base-Base interactions energy: -330.020
where: short stacking energy: -202.260
Base-Backbone interact. energy: 3.860
local terms energy: -369.655990
where:
bonds (distance) C4'-P energy: -91.925
bonds (distance) P-C4' energy: -99.789
flat angles C4'-P-C4' energy: -87.211
flat angles P-C4'-P energy: -69.202
tors. eta vs tors. theta energy: -21.528
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: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -491.218530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.218530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.218530 (E_RNA)
where:
Base-Base interactions energy: -160.943
where: short stacking energy: -145.179
Base-Backbone interact. energy: -1.028
local terms energy: -329.247090
where:
bonds (distance) C4'-P energy: -88.680
bonds (distance) P-C4' energy: -95.023
flat angles C4'-P-C4' energy: -81.697
flat angles P-C4'-P energy: -50.867
tors. eta vs tors. theta energy: -12.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -452.243530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.243530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.243530 (E_RNA)
where:
Base-Base interactions energy: -151.650
where: short stacking energy: -128.983
Base-Backbone interact. energy: -1.432
local terms energy: -299.161441
where:
bonds (distance) C4'-P energy: -74.056
bonds (distance) P-C4' energy: -81.076
flat angles C4'-P-C4' energy: -79.315
flat angles P-C4'-P energy: -51.951
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -423.596824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.596824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.596824 (E_RNA)
where:
Base-Base interactions energy: -127.183
where: short stacking energy: -119.587
Base-Backbone interact. energy: -0.369
local terms energy: -296.044935
where:
bonds (distance) C4'-P energy: -76.550
bonds (distance) P-C4' energy: -87.052
flat angles C4'-P-C4' energy: -68.205
flat angles P-C4'-P energy: -45.074
tors. eta vs tors. theta energy: -19.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -378.729349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.729349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.729349 (E_RNA)
where:
Base-Base interactions energy: -142.934
where: short stacking energy: -132.884
Base-Backbone interact. energy: -0.302
local terms energy: -235.493603
where:
bonds (distance) C4'-P energy: -72.665
bonds (distance) P-C4' energy: -61.780
flat angles C4'-P-C4' energy: -73.913
flat angles P-C4'-P energy: -39.764
tors. eta vs tors. theta energy: 12.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -358.945546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.945546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.945546 (E_RNA)
where:
Base-Base interactions energy: -127.001
where: short stacking energy: -101.402
Base-Backbone interact. energy: -3.023
local terms energy: -228.921356
where:
bonds (distance) C4'-P energy: -72.776
bonds (distance) P-C4' energy: -65.663
flat angles C4'-P-C4' energy: -63.664
flat angles P-C4'-P energy: -43.713
tors. eta vs tors. theta energy: 16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1217.747764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.747764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.747764 (E_RNA)
where:
Base-Base interactions energy: -746.950
where: short stacking energy: -437.033
Base-Backbone interact. energy: -0.609
local terms energy: -470.188940
where:
bonds (distance) C4'-P energy: -87.532
bonds (distance) P-C4' energy: -83.825
flat angles C4'-P-C4' energy: -101.424
flat angles P-C4'-P energy: -71.181
tors. eta vs tors. theta energy: -126.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1159.834996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.834996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.834996 (E_RNA)
where:
Base-Base interactions energy: -703.950
where: short stacking energy: -420.805
Base-Backbone interact. energy: -2.005
local terms energy: -453.879631
where:
bonds (distance) C4'-P energy: -84.155
bonds (distance) P-C4' energy: -91.889
flat angles C4'-P-C4' energy: -92.692
flat angles P-C4'-P energy: -57.293
tors. eta vs tors. theta energy: -127.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -938.296886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.296886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.296886 (E_RNA)
where:
Base-Base interactions energy: -538.190
where: short stacking energy: -306.179
Base-Backbone interact. energy: -0.098
local terms energy: -400.008776
where:
bonds (distance) C4'-P energy: -94.309
bonds (distance) P-C4' energy: -89.099
flat angles C4'-P-C4' energy: -93.400
flat angles P-C4'-P energy: -55.814
tors. eta vs tors. theta energy: -67.386
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: 7
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -850.453087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.453087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.453087 (E_RNA)
where:
Base-Base interactions energy: -462.071
where: short stacking energy: -262.134
Base-Backbone interact. energy: -1.379
local terms energy: -387.002632
where:
bonds (distance) C4'-P energy: -90.149
bonds (distance) P-C4' energy: -94.934
flat angles C4'-P-C4' energy: -77.380
flat angles P-C4'-P energy: -62.049
tors. eta vs tors. theta energy: -62.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -720.811053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.811053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.811053 (E_RNA)
where:
Base-Base interactions energy: -343.833
where: short stacking energy: -237.865
Base-Backbone interact. energy: 4.729
local terms energy: -381.707191
where:
bonds (distance) C4'-P energy: -98.019
bonds (distance) P-C4' energy: -88.736
flat angles C4'-P-C4' energy: -85.722
flat angles P-C4'-P energy: -58.624
tors. eta vs tors. theta energy: -50.607
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: 4
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -495.454459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.454459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.454459 (E_RNA)
where:
Base-Base interactions energy: -176.802
where: short stacking energy: -142.243
Base-Backbone interact. energy: 0.153
local terms energy: -318.805098
where:
bonds (distance) C4'-P energy: -73.913
bonds (distance) P-C4' energy: -97.080
flat angles C4'-P-C4' energy: -78.293
flat angles P-C4'-P energy: -48.665
tors. eta vs tors. theta energy: -20.854
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: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -468.656632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.656632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.656632 (E_RNA)
where:
Base-Base interactions energy: -171.478
where: short stacking energy: -143.674
Base-Backbone interact. energy: 0.718
local terms energy: -297.896308
where:
bonds (distance) C4'-P energy: -76.563
bonds (distance) P-C4' energy: -66.335
flat angles C4'-P-C4' energy: -75.785
flat angles P-C4'-P energy: -52.367
tors. eta vs tors. theta energy: -26.847
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: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -415.456766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.456766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.456766 (E_RNA)
where:
Base-Base interactions energy: -128.241
where: short stacking energy: -118.540
Base-Backbone interact. energy: -0.102
local terms energy: -287.113902
where:
bonds (distance) C4'-P energy: -79.119
bonds (distance) P-C4' energy: -84.362
flat angles C4'-P-C4' energy: -73.383
flat angles P-C4'-P energy: -54.179
tors. eta vs tors. theta energy: 3.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -375.674229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.674229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.674229 (E_RNA)
where:
Base-Base interactions energy: -108.556
where: short stacking energy: -98.542
Base-Backbone interact. energy: -2.833
local terms energy: -264.285310
where:
bonds (distance) C4'-P energy: -69.517
bonds (distance) P-C4' energy: -77.258
flat angles C4'-P-C4' energy: -90.547
flat angles P-C4'-P energy: -40.547
tors. eta vs tors. theta energy: 13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -354.760275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.760275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.760275 (E_RNA)
where:
Base-Base interactions energy: -98.915
where: short stacking energy: -95.543
Base-Backbone interact. energy: 1.635
local terms energy: -257.479794
where:
bonds (distance) C4'-P energy: -72.918
bonds (distance) P-C4' energy: -93.096
flat angles C4'-P-C4' energy: -67.862
flat angles P-C4'-P energy: -22.212
tors. eta vs tors. theta energy: -1.391
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: 6
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1222.124010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.124010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.124010 (E_RNA)
where:
Base-Base interactions energy: -724.318
where: short stacking energy: -424.923
Base-Backbone interact. energy: -1.005
local terms energy: -496.800749
where:
bonds (distance) C4'-P energy: -98.522
bonds (distance) P-C4' energy: -97.088
flat angles C4'-P-C4' energy: -105.937
flat angles P-C4'-P energy: -67.918
tors. eta vs tors. theta energy: -127.335
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: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1181.419697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.419697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.419697 (E_RNA)
where:
Base-Base interactions energy: -702.961
where: short stacking energy: -432.954
Base-Backbone interact. energy: 3.239
local terms energy: -481.698023
where:
bonds (distance) C4'-P energy: -83.152
bonds (distance) P-C4' energy: -90.830
flat angles C4'-P-C4' energy: -101.944
flat angles P-C4'-P energy: -67.876
tors. eta vs tors. theta energy: -137.896
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: 3, replica: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -902.921981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.921981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.921981 (E_RNA)
where:
Base-Base interactions energy: -497.099
where: short stacking energy: -266.757
Base-Backbone interact. energy: -0.755
local terms energy: -405.067305
where:
bonds (distance) C4'-P energy: -96.886
bonds (distance) P-C4' energy: -95.198
flat angles C4'-P-C4' energy: -87.099
flat angles P-C4'-P energy: -61.725
tors. eta vs tors. theta energy: -64.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -839.471723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.471723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.471723 (E_RNA)
where:
Base-Base interactions energy: -455.177
where: short stacking energy: -252.749
Base-Backbone interact. energy: -1.243
local terms energy: -383.052463
where:
bonds (distance) C4'-P energy: -97.639
bonds (distance) P-C4' energy: -80.979
flat angles C4'-P-C4' energy: -96.903
flat angles P-C4'-P energy: -47.674
tors. eta vs tors. theta energy: -59.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -718.841997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.841997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.841997 (E_RNA)
where:
Base-Base interactions energy: -365.382
where: short stacking energy: -228.185
Base-Backbone interact. energy: 1.107
local terms energy: -354.567223
where:
bonds (distance) C4'-P energy: -82.133
bonds (distance) P-C4' energy: -89.618
flat angles C4'-P-C4' energy: -88.859
flat angles P-C4'-P energy: -48.453
tors. eta vs tors. theta energy: -45.504
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: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -555.041061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.041061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.041061 (E_RNA)
where:
Base-Base interactions energy: -244.042
where: short stacking energy: -195.415
Base-Backbone interact. energy: -0.599
local terms energy: -310.400140
where:
bonds (distance) C4'-P energy: -86.531
bonds (distance) P-C4' energy: -88.222
flat angles C4'-P-C4' energy: -72.224
flat angles P-C4'-P energy: -35.036
tors. eta vs tors. theta energy: -28.388
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: 441
Temperature: 1.200000
Total energy: -470.076611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.076611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.076611 (E_RNA)
where:
Base-Base interactions energy: -165.551
where: short stacking energy: -162.137
Base-Backbone interact. energy: 0.223
local terms energy: -304.748570
where:
bonds (distance) C4'-P energy: -70.084
bonds (distance) P-C4' energy: -82.298
flat angles C4'-P-C4' energy: -71.797
flat angles P-C4'-P energy: -56.313
tors. eta vs tors. theta energy: -24.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -436.209214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.209214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.209214 (E_RNA)
where:
Base-Base interactions energy: -154.788
where: short stacking energy: -125.571
Base-Backbone interact. energy: -0.697
local terms energy: -280.724093
where:
bonds (distance) C4'-P energy: -84.006
bonds (distance) P-C4' energy: -71.730
flat angles C4'-P-C4' energy: -79.414
flat angles P-C4'-P energy: -48.935
tors. eta vs tors. theta energy: 3.361
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: 9, replica: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -402.692505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.692505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.692505 (E_RNA)
where:
Base-Base interactions energy: -158.210
where: short stacking energy: -142.938
Base-Backbone interact. energy: 1.652
local terms energy: -246.134290
where:
bonds (distance) C4'-P energy: -60.387
bonds (distance) P-C4' energy: -80.610
flat angles C4'-P-C4' energy: -68.656
flat angles P-C4'-P energy: -34.887
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: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -357.358425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.358425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.358425 (E_RNA)
where:
Base-Base interactions energy: -112.194
where: short stacking energy: -88.437
Base-Backbone interact. energy: -1.187
local terms energy: -243.977800
where:
bonds (distance) C4'-P energy: -81.622
bonds (distance) P-C4' energy: -69.580
flat angles C4'-P-C4' energy: -76.378
flat angles P-C4'-P energy: -37.630
tors. eta vs tors. theta energy: 21.233
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: 6
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1253.742350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.742350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.742350 (E_RNA)
where:
Base-Base interactions energy: -759.456
where: short stacking energy: -456.778
Base-Backbone interact. energy: -1.173
local terms energy: -493.113434
where:
bonds (distance) C4'-P energy: -82.372
bonds (distance) P-C4' energy: -100.365
flat angles C4'-P-C4' energy: -102.114
flat angles P-C4'-P energy: -75.729
tors. eta vs tors. theta energy: -132.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1144.577428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.577428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.577428 (E_RNA)
where:
Base-Base interactions energy: -667.198
where: short stacking energy: -413.096
Base-Backbone interact. energy: 0.582
local terms energy: -477.960656
where:
bonds (distance) C4'-P energy: -98.201
bonds (distance) P-C4' energy: -83.959
flat angles C4'-P-C4' energy: -94.343
flat angles P-C4'-P energy: -69.946
tors. eta vs tors. theta energy: -131.512
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: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -917.066809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.066809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.066809 (E_RNA)
where:
Base-Base interactions energy: -528.469
where: short stacking energy: -328.397
Base-Backbone interact. energy: 2.415
local terms energy: -391.012269
where:
bonds (distance) C4'-P energy: -70.726
bonds (distance) P-C4' energy: -93.049
flat angles C4'-P-C4' energy: -86.606
flat angles P-C4'-P energy: -64.746
tors. eta vs tors. theta energy: -75.886
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: 442
Temperature: 1.050000
Total energy: -814.866257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.866257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.866257 (E_RNA)
where:
Base-Base interactions energy: -439.884
where: short stacking energy: -268.899
Base-Backbone interact. energy: -1.371
local terms energy: -373.611113
where:
bonds (distance) C4'-P energy: -78.660
bonds (distance) P-C4' energy: -91.329
flat angles C4'-P-C4' energy: -82.524
flat angles P-C4'-P energy: -61.777
tors. eta vs tors. theta energy: -59.322
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: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -724.912342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.912342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.912342 (E_RNA)
where:
Base-Base interactions energy: -351.897
where: short stacking energy: -224.249
Base-Backbone interact. energy: -2.796
local terms energy: -370.219980
where:
bonds (distance) C4'-P energy: -85.344
bonds (distance) P-C4' energy: -101.025
flat angles C4'-P-C4' energy: -75.940
flat angles P-C4'-P energy: -51.549
tors. eta vs tors. theta energy: -56.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -576.777817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.777817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.777817 (E_RNA)
where:
Base-Base interactions energy: -258.096
where: short stacking energy: -213.663
Base-Backbone interact. energy: -0.192
local terms energy: -318.490300
where:
bonds (distance) C4'-P energy: -72.159
bonds (distance) P-C4' energy: -87.384
flat angles C4'-P-C4' energy: -75.457
flat angles P-C4'-P energy: -59.245
tors. eta vs tors. theta energy: -24.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -475.691120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.691120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.691120 (E_RNA)
where:
Base-Base interactions energy: -200.190
where: short stacking energy: -158.478
Base-Backbone interact. energy: -0.643
local terms energy: -274.858395
where:
bonds (distance) C4'-P energy: -62.976
bonds (distance) P-C4' energy: -89.268
flat angles C4'-P-C4' energy: -70.380
flat angles P-C4'-P energy: -35.431
tors. eta vs tors. theta energy: -16.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -397.621541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.621541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.621541 (E_RNA)
where:
Base-Base interactions energy: -161.902
where: short stacking energy: -138.436
Base-Backbone interact. energy: -0.192
local terms energy: -235.527741
where:
bonds (distance) C4'-P energy: -49.791
bonds (distance) P-C4' energy: -68.445
flat angles C4'-P-C4' energy: -80.651
flat angles P-C4'-P energy: -37.086
tors. eta vs tors. theta energy: 0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -378.362448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.362448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.362448 (E_RNA)
where:
Base-Base interactions energy: -131.300
where: short stacking energy: -95.528
Base-Backbone interact. energy: 4.710
local terms energy: -251.771704
where:
bonds (distance) C4'-P energy: -82.570
bonds (distance) P-C4' energy: -79.857
flat angles C4'-P-C4' energy: -67.325
flat angles P-C4'-P energy: -28.798
tors. eta vs tors. theta energy: 6.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -347.213808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.213808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.213808 (E_RNA)
where:
Base-Base interactions energy: -76.423
where: short stacking energy: -63.963
Base-Backbone interact. energy: -0.880
local terms energy: -269.911292
where:
bonds (distance) C4'-P energy: -71.331
bonds (distance) P-C4' energy: -91.987
flat angles C4'-P-C4' energy: -69.825
flat angles P-C4'-P energy: -56.404
tors. eta vs tors. theta energy: 19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1276.106162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.106162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.106162 (E_RNA)
where:
Base-Base interactions energy: -777.134
where: short stacking energy: -451.554
Base-Backbone interact. energy: -0.572
local terms energy: -498.399660
where:
bonds (distance) C4'-P energy: -89.160
bonds (distance) P-C4' energy: -90.718
flat angles C4'-P-C4' energy: -107.100
flat angles P-C4'-P energy: -69.565
tors. eta vs tors. theta energy: -141.857
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: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1171.158958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.158958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.158958 (E_RNA)
where:
Base-Base interactions energy: -691.585
where: short stacking energy: -416.777
Base-Backbone interact. energy: -0.503
local terms energy: -479.071123
where:
bonds (distance) C4'-P energy: -101.918
bonds (distance) P-C4' energy: -83.605
flat angles C4'-P-C4' energy: -90.899
flat angles P-C4'-P energy: -67.290
tors. eta vs tors. theta energy: -135.360
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: 10
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -944.549133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.549133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.549133 (E_RNA)
where:
Base-Base interactions energy: -525.524
where: short stacking energy: -315.220
Base-Backbone interact. energy: 1.557
local terms energy: -420.582196
where:
bonds (distance) C4'-P energy: -83.327
bonds (distance) P-C4' energy: -98.301
flat angles C4'-P-C4' energy: -97.646
flat angles P-C4'-P energy: -53.038
tors. eta vs tors. theta energy: -88.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -851.054962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.054962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.054962 (E_RNA)
where:
Base-Base interactions energy: -455.587
where: short stacking energy: -274.412
Base-Backbone interact. energy: -0.627
local terms energy: -394.841548
where:
bonds (distance) C4'-P energy: -88.295
bonds (distance) P-C4' energy: -91.636
flat angles C4'-P-C4' energy: -81.218
flat angles P-C4'-P energy: -57.182
tors. eta vs tors. theta energy: -76.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -679.862399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.862399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.862399 (E_RNA)
where:
Base-Base interactions energy: -334.365
where: short stacking energy: -207.210
Base-Backbone interact. energy: 0.025
local terms energy: -345.522375
where:
bonds (distance) C4'-P energy: -79.834
bonds (distance) P-C4' energy: -90.337
flat angles C4'-P-C4' energy: -81.316
flat angles P-C4'-P energy: -56.183
tors. eta vs tors. theta energy: -37.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -574.027966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.027966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.027966 (E_RNA)
where:
Base-Base interactions energy: -262.162
where: short stacking energy: -194.796
Base-Backbone interact. energy: -0.913
local terms energy: -310.953364
where:
bonds (distance) C4'-P energy: -75.933
bonds (distance) P-C4' energy: -81.995
flat angles C4'-P-C4' energy: -70.340
flat angles P-C4'-P energy: -49.471
tors. eta vs tors. theta energy: -33.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -457.095728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.095728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.095728 (E_RNA)
where:
Base-Base interactions energy: -161.549
where: short stacking energy: -142.016
Base-Backbone interact. energy: 0.815
local terms energy: -296.361764
where:
bonds (distance) C4'-P energy: -86.048
bonds (distance) P-C4' energy: -71.777
flat angles C4'-P-C4' energy: -76.785
flat angles P-C4'-P energy: -44.849
tors. eta vs tors. theta energy: -16.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -410.250241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.250241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.250241 (E_RNA)
where:
Base-Base interactions energy: -140.995
where: short stacking energy: -119.676
Base-Backbone interact. energy: 0.640
local terms energy: -269.894533
where:
bonds (distance) C4'-P energy: -69.513
bonds (distance) P-C4' energy: -96.414
flat angles C4'-P-C4' energy: -65.132
flat angles P-C4'-P energy: -41.764
tors. eta vs tors. theta energy: 2.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -370.783172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.783172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.783172 (E_RNA)
where:
Base-Base interactions energy: -138.211
where: short stacking energy: -121.911
Base-Backbone interact. energy: -2.888
local terms energy: -229.684751
where:
bonds (distance) C4'-P energy: -68.997
bonds (distance) P-C4' energy: -66.245
flat angles C4'-P-C4' energy: -70.380
flat angles P-C4'-P energy: -43.427
tors. eta vs tors. theta energy: 19.365
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: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -367.895677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.895677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.895677 (E_RNA)
where:
Base-Base interactions energy: -101.912
where: short stacking energy: -101.826
Base-Backbone interact. energy: 0.803
local terms energy: -266.786826
where:
bonds (distance) C4'-P energy: -85.581
bonds (distance) P-C4' energy: -96.573
flat angles C4'-P-C4' energy: -64.350
flat angles P-C4'-P energy: -23.548
tors. eta vs tors. theta energy: 3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1251.990654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.990654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.990654 (E_RNA)
where:
Base-Base interactions energy: -732.256
where: short stacking energy: -429.621
Base-Backbone interact. energy: 0.318
local terms energy: -520.052173
where:
bonds (distance) C4'-P energy: -97.094
bonds (distance) P-C4' energy: -104.151
flat angles C4'-P-C4' energy: -111.275
flat angles P-C4'-P energy: -68.538
tors. eta vs tors. theta energy: -138.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1186.344160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.344160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.344160 (E_RNA)
where:
Base-Base interactions energy: -708.443
where: short stacking energy: -434.712
Base-Backbone interact. energy: -0.605
local terms energy: -477.296056
where:
bonds (distance) C4'-P energy: -90.656
bonds (distance) P-C4' energy: -92.220
flat angles C4'-P-C4' energy: -97.744
flat angles P-C4'-P energy: -63.216
tors. eta vs tors. theta energy: -133.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -919.533656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.533656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.533656 (E_RNA)
where:
Base-Base interactions energy: -533.867
where: short stacking energy: -320.414
Base-Backbone interact. energy: -1.115
local terms energy: -384.551668
where:
bonds (distance) C4'-P energy: -73.735
bonds (distance) P-C4' energy: -88.961
flat angles C4'-P-C4' energy: -98.680
flat angles P-C4'-P energy: -51.234
tors. eta vs tors. theta energy: -71.942
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: 444
Temperature: 1.050000
Total energy: -849.101139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.101139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.101139 (E_RNA)
where:
Base-Base interactions energy: -469.382
where: short stacking energy: -270.652
Base-Backbone interact. energy: 0.327
local terms energy: -380.045924
where:
bonds (distance) C4'-P energy: -87.865
bonds (distance) P-C4' energy: -83.282
flat angles C4'-P-C4' energy: -92.456
flat angles P-C4'-P energy: -55.171
tors. eta vs tors. theta energy: -61.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -688.335344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.335344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.335344 (E_RNA)
where:
Base-Base interactions energy: -343.516
where: short stacking energy: -240.455
Base-Backbone interact. energy: 0.280
local terms energy: -345.099107
where:
bonds (distance) C4'-P energy: -81.138
bonds (distance) P-C4' energy: -81.162
flat angles C4'-P-C4' energy: -65.643
flat angles P-C4'-P energy: -59.194
tors. eta vs tors. theta energy: -57.962
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: 4
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -546.162250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.162250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.162250 (E_RNA)
where:
Base-Base interactions energy: -243.492
where: short stacking energy: -208.086
Base-Backbone interact. energy: 1.638
local terms energy: -304.308036
where:
bonds (distance) C4'-P energy: -77.551
bonds (distance) P-C4' energy: -82.134
flat angles C4'-P-C4' energy: -75.623
flat angles P-C4'-P energy: -35.039
tors. eta vs tors. theta energy: -33.961
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: 444
Temperature: 1.200000
Total energy: -470.107783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.107783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.107783 (E_RNA)
where:
Base-Base interactions energy: -161.946
where: short stacking energy: -154.106
Base-Backbone interact. energy: -0.022
local terms energy: -308.139857
where:
bonds (distance) C4'-P energy: -69.194
bonds (distance) P-C4' energy: -80.729
flat angles C4'-P-C4' energy: -82.380
flat angles P-C4'-P energy: -60.207
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -401.649450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.649450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.649450 (E_RNA)
where:
Base-Base interactions energy: -127.543
where: short stacking energy: -101.643
Base-Backbone interact. energy: -3.074
local terms energy: -271.033224
where:
bonds (distance) C4'-P energy: -77.366
bonds (distance) P-C4' energy: -78.180
flat angles C4'-P-C4' energy: -68.820
flat angles P-C4'-P energy: -43.634
tors. eta vs tors. theta energy: -3.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -385.091582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.091582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.091582 (E_RNA)
where:
Base-Base interactions energy: -108.992
where: short stacking energy: -106.536
Base-Backbone interact. energy: 0.664
local terms energy: -276.763635
where:
bonds (distance) C4'-P energy: -79.774
bonds (distance) P-C4' energy: -81.604
flat angles C4'-P-C4' energy: -64.300
flat angles P-C4'-P energy: -46.899
tors. eta vs tors. theta energy: -4.186
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: 1
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -348.964277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.964277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.964277 (E_RNA)
where:
Base-Base interactions energy: -100.452
where: short stacking energy: -85.415
Base-Backbone interact. energy: -1.190
local terms energy: -247.322532
where:
bonds (distance) C4'-P energy: -74.452
bonds (distance) P-C4' energy: -73.191
flat angles C4'-P-C4' energy: -56.363
flat angles P-C4'-P energy: -55.528
tors. eta vs tors. theta energy: 12.212
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: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1249.826378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.826378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.826378 (E_RNA)
where:
Base-Base interactions energy: -761.797
where: short stacking energy: -437.084
Base-Backbone interact. energy: -0.866
local terms energy: -487.162845
where:
bonds (distance) C4'-P energy: -96.576
bonds (distance) P-C4' energy: -91.914
flat angles C4'-P-C4' energy: -99.101
flat angles P-C4'-P energy: -66.011
tors. eta vs tors. theta energy: -133.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1168.066165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.066165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.066165 (E_RNA)
where:
Base-Base interactions energy: -719.480
where: short stacking energy: -444.740
Base-Backbone interact. energy: -0.777
local terms energy: -447.808783
where:
bonds (distance) C4'-P energy: -77.677
bonds (distance) P-C4' energy: -86.007
flat angles C4'-P-C4' energy: -94.036
flat angles P-C4'-P energy: -65.360
tors. eta vs tors. theta energy: -124.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -896.213049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.213049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.213049 (E_RNA)
where:
Base-Base interactions energy: -488.935
where: short stacking energy: -314.838
Base-Backbone interact. energy: 1.143
local terms energy: -408.421494
where:
bonds (distance) C4'-P energy: -85.366
bonds (distance) P-C4' energy: -97.700
flat angles C4'-P-C4' energy: -96.512
flat angles P-C4'-P energy: -55.368
tors. eta vs tors. theta energy: -73.475
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: 445
Temperature: 1.050000
Total energy: -875.120097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.120097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.120097 (E_RNA)
where:
Base-Base interactions energy: -474.748
where: short stacking energy: -304.010
Base-Backbone interact. energy: 2.864
local terms energy: -403.235300
where:
bonds (distance) C4'-P energy: -86.492
bonds (distance) P-C4' energy: -85.741
flat angles C4'-P-C4' energy: -84.609
flat angles P-C4'-P energy: -70.062
tors. eta vs tors. theta energy: -76.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -727.509679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.509679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.509679 (E_RNA)
where:
Base-Base interactions energy: -367.934
where: short stacking energy: -228.544
Base-Backbone interact. energy: -1.387
local terms energy: -358.189233
where:
bonds (distance) C4'-P energy: -88.921
bonds (distance) P-C4' energy: -95.955
flat angles C4'-P-C4' energy: -86.053
flat angles P-C4'-P energy: -36.907
tors. eta vs tors. theta energy: -50.354
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: 4
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -510.650798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.650798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.650798 (E_RNA)
where:
Base-Base interactions energy: -198.814
where: short stacking energy: -154.908
Base-Backbone interact. energy: 0.690
local terms energy: -312.526189
where:
bonds (distance) C4'-P energy: -86.205
bonds (distance) P-C4' energy: -76.484
flat angles C4'-P-C4' energy: -72.730
flat angles P-C4'-P energy: -58.246
tors. eta vs tors. theta energy: -18.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -435.686906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.686906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.686906 (E_RNA)
where:
Base-Base interactions energy: -157.334
where: short stacking energy: -152.629
Base-Backbone interact. energy: -1.386
local terms energy: -276.966725
where:
bonds (distance) C4'-P energy: -75.535
bonds (distance) P-C4' energy: -82.746
flat angles C4'-P-C4' energy: -69.791
flat angles P-C4'-P energy: -30.543
tors. eta vs tors. theta energy: -18.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -396.047261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.047261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.047261 (E_RNA)
where:
Base-Base interactions energy: -131.605
where: short stacking energy: -113.668
Base-Backbone interact. energy: -1.607
local terms energy: -262.834911
where:
bonds (distance) C4'-P energy: -77.499
bonds (distance) P-C4' energy: -88.725
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -50.040
tors. eta vs tors. theta energy: 10.427
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: 3
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -357.253896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.253896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.253896 (E_RNA)
where:
Base-Base interactions energy: -122.085
where: short stacking energy: -100.455
Base-Backbone interact. energy: -1.666
local terms energy: -233.502221
where:
bonds (distance) C4'-P energy: -77.186
bonds (distance) P-C4' energy: -78.455
flat angles C4'-P-C4' energy: -55.506
flat angles P-C4'-P energy: -41.729
tors. eta vs tors. theta energy: 19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -349.322898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.322898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.322898 (E_RNA)
where:
Base-Base interactions energy: -124.904
where: short stacking energy: -112.476
Base-Backbone interact. energy: -2.236
local terms energy: -222.182536
where:
bonds (distance) C4'-P energy: -61.992
bonds (distance) P-C4' energy: -82.799
flat angles C4'-P-C4' energy: -58.475
flat angles P-C4'-P energy: -35.654
tors. eta vs tors. theta energy: 16.737
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: 6
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1215.063257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.063257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.063257 (E_RNA)
where:
Base-Base interactions energy: -722.833
where: short stacking energy: -419.708
Base-Backbone interact. energy: -1.025
local terms energy: -491.205210
where:
bonds (distance) C4'-P energy: -96.191
bonds (distance) P-C4' energy: -96.114
flat angles C4'-P-C4' energy: -100.723
flat angles P-C4'-P energy: -56.427
tors. eta vs tors. theta energy: -141.750
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: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1150.507805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.507805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.507805 (E_RNA)
where:
Base-Base interactions energy: -672.357
where: short stacking energy: -414.091
Base-Backbone interact. energy: -1.046
local terms energy: -477.105166
where:
bonds (distance) C4'-P energy: -94.277
bonds (distance) P-C4' energy: -88.299
flat angles C4'-P-C4' energy: -95.298
flat angles P-C4'-P energy: -67.908
tors. eta vs tors. theta energy: -131.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -962.146146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.146146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.146146 (E_RNA)
where:
Base-Base interactions energy: -541.758
where: short stacking energy: -334.415
Base-Backbone interact. energy: -1.124
local terms energy: -419.263805
where:
bonds (distance) C4'-P energy: -70.883
bonds (distance) P-C4' energy: -91.174
flat angles C4'-P-C4' energy: -103.388
flat angles P-C4'-P energy: -69.703
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: 446
Temperature: 1.050000
Total energy: -832.052283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.052283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.052283 (E_RNA)
where:
Base-Base interactions energy: -448.952
where: short stacking energy: -277.738
Base-Backbone interact. energy: -1.551
local terms energy: -381.548908
where:
bonds (distance) C4'-P energy: -79.577
bonds (distance) P-C4' energy: -80.665
flat angles C4'-P-C4' energy: -86.714
flat angles P-C4'-P energy: -61.600
tors. eta vs tors. theta energy: -72.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -667.397306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.397306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.397306 (E_RNA)
where:
Base-Base interactions energy: -336.950
where: short stacking energy: -207.109
Base-Backbone interact. energy: -1.334
local terms energy: -329.113614
where:
bonds (distance) C4'-P energy: -90.966
bonds (distance) P-C4' energy: -86.894
flat angles C4'-P-C4' energy: -74.647
flat angles P-C4'-P energy: -41.402
tors. eta vs tors. theta energy: -35.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -521.998495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.998495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.998495 (E_RNA)
where:
Base-Base interactions energy: -212.413
where: short stacking energy: -171.423
Base-Backbone interact. energy: -0.851
local terms energy: -308.733870
where:
bonds (distance) C4'-P energy: -72.844
bonds (distance) P-C4' energy: -90.215
flat angles C4'-P-C4' energy: -76.430
flat angles P-C4'-P energy: -50.367
tors. eta vs tors. theta energy: -18.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -434.954596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.954596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.954596 (E_RNA)
where:
Base-Base interactions energy: -144.065
where: short stacking energy: -139.906
Base-Backbone interact. energy: -2.893
local terms energy: -287.996691
where:
bonds (distance) C4'-P energy: -91.914
bonds (distance) P-C4' energy: -79.236
flat angles C4'-P-C4' energy: -66.789
flat angles P-C4'-P energy: -46.150
tors. eta vs tors. theta energy: -3.908
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: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -418.280122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.280122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.280122 (E_RNA)
where:
Base-Base interactions energy: -141.755
where: short stacking energy: -117.639
Base-Backbone interact. energy: 4.387
local terms energy: -280.911859
where:
bonds (distance) C4'-P energy: -70.353
bonds (distance) P-C4' energy: -78.625
flat angles C4'-P-C4' energy: -83.607
flat angles P-C4'-P energy: -46.177
tors. eta vs tors. theta energy: -2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -388.037043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.037043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.037043 (E_RNA)
where:
Base-Base interactions energy: -96.860
where: short stacking energy: -91.098
Base-Backbone interact. energy: 0.054
local terms energy: -291.230449
where:
bonds (distance) C4'-P energy: -83.376
bonds (distance) P-C4' energy: -90.489
flat angles C4'-P-C4' energy: -75.179
flat angles P-C4'-P energy: -43.780
tors. eta vs tors. theta energy: 1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -339.669930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.669930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.669930 (E_RNA)
where:
Base-Base interactions energy: -100.672
where: short stacking energy: -92.147
Base-Backbone interact. energy: 2.143
local terms energy: -241.141276
where:
bonds (distance) C4'-P energy: -81.042
bonds (distance) P-C4' energy: -82.950
flat angles C4'-P-C4' energy: -56.754
flat angles P-C4'-P energy: -35.743
tors. eta vs tors. theta energy: 15.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1279.518682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.518682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.518682 (E_RNA)
where:
Base-Base interactions energy: -781.246
where: short stacking energy: -443.624
Base-Backbone interact. energy: -0.459
local terms energy: -497.814319
where:
bonds (distance) C4'-P energy: -84.397
bonds (distance) P-C4' energy: -102.506
flat angles C4'-P-C4' energy: -102.554
flat angles P-C4'-P energy: -69.687
tors. eta vs tors. theta energy: -138.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1160.400527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.400527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.400527 (E_RNA)
where:
Base-Base interactions energy: -695.465
where: short stacking energy: -419.606
Base-Backbone interact. energy: -0.679
local terms energy: -464.256811
where:
bonds (distance) C4'-P energy: -75.343
bonds (distance) P-C4' energy: -98.354
flat angles C4'-P-C4' energy: -99.099
flat angles P-C4'-P energy: -62.150
tors. eta vs tors. theta energy: -129.311
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: 10
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -964.497950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.497950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.497950 (E_RNA)
where:
Base-Base interactions energy: -514.319
where: short stacking energy: -314.933
Base-Backbone interact. energy: 0.304
local terms energy: -450.482250
where:
bonds (distance) C4'-P energy: -94.954
bonds (distance) P-C4' energy: -102.614
flat angles C4'-P-C4' energy: -104.375
flat angles P-C4'-P energy: -65.809
tors. eta vs tors. theta energy: -82.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -814.486972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.486972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.486972 (E_RNA)
where:
Base-Base interactions energy: -443.306
where: short stacking energy: -262.144
Base-Backbone interact. energy: 2.937
local terms energy: -374.118674
where:
bonds (distance) C4'-P energy: -83.654
bonds (distance) P-C4' energy: -83.440
flat angles C4'-P-C4' energy: -84.655
flat angles P-C4'-P energy: -55.549
tors. eta vs tors. theta energy: -66.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -656.211606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.211606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.211606 (E_RNA)
where:
Base-Base interactions energy: -304.066
where: short stacking energy: -198.919
Base-Backbone interact. energy: -0.959
local terms energy: -351.186386
where:
bonds (distance) C4'-P energy: -89.594
bonds (distance) P-C4' energy: -87.796
flat angles C4'-P-C4' energy: -80.053
flat angles P-C4'-P energy: -58.152
tors. eta vs tors. theta energy: -35.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -548.617815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.617815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.617815 (E_RNA)
where:
Base-Base interactions energy: -232.242
where: short stacking energy: -178.931
Base-Backbone interact. energy: -1.542
local terms energy: -314.834412
where:
bonds (distance) C4'-P energy: -77.629
bonds (distance) P-C4' energy: -80.480
flat angles C4'-P-C4' energy: -83.958
flat angles P-C4'-P energy: -54.647
tors. eta vs tors. theta energy: -18.122
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: 9
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -458.368761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.368761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.368761 (E_RNA)
where:
Base-Base interactions energy: -162.989
where: short stacking energy: -148.827
Base-Backbone interact. energy: 1.275
local terms energy: -296.654690
where:
bonds (distance) C4'-P energy: -79.202
bonds (distance) P-C4' energy: -89.967
flat angles C4'-P-C4' energy: -75.446
flat angles P-C4'-P energy: -28.977
tors. eta vs tors. theta energy: -23.063
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: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -429.688898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.688898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.688898 (E_RNA)
where:
Base-Base interactions energy: -167.781
where: short stacking energy: -110.552
Base-Backbone interact. energy: 3.593
local terms energy: -265.501052
where:
bonds (distance) C4'-P energy: -74.689
bonds (distance) P-C4' energy: -90.323
flat angles C4'-P-C4' energy: -66.077
flat angles P-C4'-P energy: -45.113
tors. eta vs tors. theta energy: 10.701
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: 447
Temperature: 1.300000
Total energy: -373.541170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.541170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.541170 (E_RNA)
where:
Base-Base interactions energy: -114.029
where: short stacking energy: -101.045
Base-Backbone interact. energy: -0.986
local terms energy: -258.525549
where:
bonds (distance) C4'-P energy: -85.934
bonds (distance) P-C4' energy: -73.804
flat angles C4'-P-C4' energy: -61.440
flat angles P-C4'-P energy: -37.291
tors. eta vs tors. theta energy: -0.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -370.503013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.503013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.503013 (E_RNA)
where:
Base-Base interactions energy: -132.342
where: short stacking energy: -123.279
Base-Backbone interact. energy: -0.892
local terms energy: -237.269355
where:
bonds (distance) C4'-P energy: -76.973
bonds (distance) P-C4' energy: -68.028
flat angles C4'-P-C4' energy: -54.313
flat angles P-C4'-P energy: -29.515
tors. eta vs tors. theta energy: -8.441
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: 6
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1304.793418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.793418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.793418 (E_RNA)
where:
Base-Base interactions energy: -800.038
where: short stacking energy: -465.999
Base-Backbone interact. energy: -0.910
local terms energy: -503.845680
where:
bonds (distance) C4'-P energy: -89.979
bonds (distance) P-C4' energy: -92.735
flat angles C4'-P-C4' energy: -110.224
flat angles P-C4'-P energy: -66.803
tors. eta vs tors. theta energy: -144.106
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: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1174.943614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.943614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.943614 (E_RNA)
where:
Base-Base interactions energy: -690.898
where: short stacking energy: -437.968
Base-Backbone interact. energy: -0.275
local terms energy: -483.770760
where:
bonds (distance) C4'-P energy: -85.827
bonds (distance) P-C4' energy: -89.107
flat angles C4'-P-C4' energy: -99.036
flat angles P-C4'-P energy: -69.188
tors. eta vs tors. theta energy: -140.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -967.583287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.583287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.583287 (E_RNA)
where:
Base-Base interactions energy: -548.837
where: short stacking energy: -318.602
Base-Backbone interact. energy: -0.459
local terms energy: -418.287151
where:
bonds (distance) C4'-P energy: -88.210
bonds (distance) P-C4' energy: -78.732
flat angles C4'-P-C4' energy: -104.507
flat angles P-C4'-P energy: -67.891
tors. eta vs tors. theta energy: -78.948
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: 448
Temperature: 1.050000
Total energy: -842.768112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.768112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.768112 (E_RNA)
where:
Base-Base interactions energy: -448.355
where: short stacking energy: -259.503
Base-Backbone interact. energy: 0.506
local terms energy: -394.919321
where:
bonds (distance) C4'-P energy: -84.348
bonds (distance) P-C4' energy: -92.747
flat angles C4'-P-C4' energy: -93.982
flat angles P-C4'-P energy: -66.177
tors. eta vs tors. theta energy: -57.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -698.729982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.729982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.729982 (E_RNA)
where:
Base-Base interactions energy: -350.636
where: short stacking energy: -222.220
Base-Backbone interact. energy: -2.056
local terms energy: -346.038393
where:
bonds (distance) C4'-P energy: -92.035
bonds (distance) P-C4' energy: -75.676
flat angles C4'-P-C4' energy: -79.864
flat angles P-C4'-P energy: -47.617
tors. eta vs tors. theta energy: -50.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -535.424376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.424376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.424376 (E_RNA)
where:
Base-Base interactions energy: -227.638
where: short stacking energy: -176.594
Base-Backbone interact. energy: 1.899
local terms energy: -309.685438
where:
bonds (distance) C4'-P energy: -76.740
bonds (distance) P-C4' energy: -91.854
flat angles C4'-P-C4' energy: -69.596
flat angles P-C4'-P energy: -58.203
tors. eta vs tors. theta energy: -13.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -431.296788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.296788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.296788 (E_RNA)
where:
Base-Base interactions energy: -143.207
where: short stacking energy: -105.624
Base-Backbone interact. energy: 0.840
local terms energy: -288.929400
where:
bonds (distance) C4'-P energy: -78.897
bonds (distance) P-C4' energy: -98.712
flat angles C4'-P-C4' energy: -77.585
flat angles P-C4'-P energy: -44.222
tors. eta vs tors. theta energy: 10.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -410.371878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.371878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.371878 (E_RNA)
where:
Base-Base interactions energy: -150.048
where: short stacking energy: -133.539
Base-Backbone interact. energy: 2.785
local terms energy: -263.109208
where:
bonds (distance) C4'-P energy: -89.647
bonds (distance) P-C4' energy: -71.167
flat angles C4'-P-C4' energy: -63.669
flat angles P-C4'-P energy: -34.651
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -397.183003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.183003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.183003 (E_RNA)
where:
Base-Base interactions energy: -124.528
where: short stacking energy: -91.840
Base-Backbone interact. energy: 2.127
local terms energy: -274.782072
where:
bonds (distance) C4'-P energy: -78.945
bonds (distance) P-C4' energy: -83.424
flat angles C4'-P-C4' energy: -66.996
flat angles P-C4'-P energy: -54.846
tors. eta vs tors. theta energy: 9.429
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: 10, replica: 1
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -383.461434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.461434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.461434 (E_RNA)
where:
Base-Base interactions energy: -127.319
where: short stacking energy: -108.064
Base-Backbone interact. energy: 3.651
local terms energy: -259.794306
where:
bonds (distance) C4'-P energy: -72.932
bonds (distance) P-C4' energy: -86.310
flat angles C4'-P-C4' energy: -66.540
flat angles P-C4'-P energy: -44.209
tors. eta vs tors. theta energy: 10.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1272.391193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.391193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.391193 (E_RNA)
where:
Base-Base interactions energy: -773.397
where: short stacking energy: -451.365
Base-Backbone interact. energy: 1.166
local terms energy: -500.160030
where:
bonds (distance) C4'-P energy: -97.753
bonds (distance) P-C4' energy: -95.507
flat angles C4'-P-C4' energy: -104.282
flat angles P-C4'-P energy: -65.591
tors. eta vs tors. theta energy: -137.028
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: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1158.082750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.082750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.082750 (E_RNA)
where:
Base-Base interactions energy: -674.250
where: short stacking energy: -419.203
Base-Backbone interact. energy: -1.342
local terms energy: -482.490704
where:
bonds (distance) C4'-P energy: -91.391
bonds (distance) P-C4' energy: -86.888
flat angles C4'-P-C4' energy: -112.193
flat angles P-C4'-P energy: -58.450
tors. eta vs tors. theta energy: -133.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -962.718253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.718253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.718253 (E_RNA)
where:
Base-Base interactions energy: -555.530
where: short stacking energy: -312.194
Base-Backbone interact. energy: -1.734
local terms energy: -405.454478
where:
bonds (distance) C4'-P energy: -84.837
bonds (distance) P-C4' energy: -80.410
flat angles C4'-P-C4' energy: -95.014
flat angles P-C4'-P energy: -65.816
tors. eta vs tors. theta energy: -79.377
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: 449
Temperature: 1.050000
Total energy: -847.767011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.767011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.767011 (E_RNA)
where:
Base-Base interactions energy: -454.234
where: short stacking energy: -272.637
Base-Backbone interact. energy: 3.145
local terms energy: -396.678355
where:
bonds (distance) C4'-P energy: -88.034
bonds (distance) P-C4' energy: -86.481
flat angles C4'-P-C4' energy: -87.505
flat angles P-C4'-P energy: -57.415
tors. eta vs tors. theta energy: -77.244
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: 5, replica: 5
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -674.313834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.313834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.313834 (E_RNA)
where:
Base-Base interactions energy: -321.707
where: short stacking energy: -222.938
Base-Backbone interact. energy: -0.622
local terms energy: -351.985102
where:
bonds (distance) C4'-P energy: -92.709
bonds (distance) P-C4' energy: -77.443
flat angles C4'-P-C4' energy: -95.483
flat angles P-C4'-P energy: -51.016
tors. eta vs tors. theta energy: -35.333
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: 3
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -472.972173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.972173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.972173 (E_RNA)
where:
Base-Base interactions energy: -177.469
where: short stacking energy: -155.034
Base-Backbone interact. energy: -0.771
local terms energy: -294.732327
where:
bonds (distance) C4'-P energy: -67.532
bonds (distance) P-C4' energy: -95.458
flat angles C4'-P-C4' energy: -79.283
flat angles P-C4'-P energy: -46.456
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -441.200202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.200202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.200202 (E_RNA)
where:
Base-Base interactions energy: -179.545
where: short stacking energy: -140.814
Base-Backbone interact. energy: 1.202
local terms energy: -262.857289
where:
bonds (distance) C4'-P energy: -90.656
bonds (distance) P-C4' energy: -78.550
flat angles C4'-P-C4' energy: -61.980
flat angles P-C4'-P energy: -25.202
tors. eta vs tors. theta energy: -6.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -399.858498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.858498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.858498 (E_RNA)
where:
Base-Base interactions energy: -160.076
where: short stacking energy: -123.218
Base-Backbone interact. energy: 0.065
local terms energy: -239.847367
where:
bonds (distance) C4'-P energy: -67.360
bonds (distance) P-C4' energy: -65.920
flat angles C4'-P-C4' energy: -61.487
flat angles P-C4'-P energy: -39.932
tors. eta vs tors. theta energy: -5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -393.725426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.725426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.725426 (E_RNA)
where:
Base-Base interactions energy: -133.956
where: short stacking energy: -110.864
Base-Backbone interact. energy: -1.354
local terms energy: -258.415603
where:
bonds (distance) C4'-P energy: -63.584
bonds (distance) P-C4' energy: -70.628
flat angles C4'-P-C4' energy: -80.755
flat angles P-C4'-P energy: -38.841
tors. eta vs tors. theta energy: -4.608
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: 1
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -385.592453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.592453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.592453 (E_RNA)
where:
Base-Base interactions energy: -119.975
where: short stacking energy: -104.868
Base-Backbone interact. energy: 3.766
local terms energy: -269.384178
where:
bonds (distance) C4'-P energy: -89.931
bonds (distance) P-C4' energy: -80.554
flat angles C4'-P-C4' energy: -59.022
flat angles P-C4'-P energy: -45.184
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: 6
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1230.192237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.192237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.192237 (E_RNA)
where:
Base-Base interactions energy: -750.114
where: short stacking energy: -436.386
Base-Backbone interact. energy: -0.984
local terms energy: -479.093903
where:
bonds (distance) C4'-P energy: -89.122
bonds (distance) P-C4' energy: -89.290
flat angles C4'-P-C4' energy: -94.567
flat angles P-C4'-P energy: -68.403
tors. eta vs tors. theta energy: -137.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1188.241410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.241410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.241410 (E_RNA)
where:
Base-Base interactions energy: -701.944
where: short stacking energy: -438.737
Base-Backbone interact. energy: 1.051
local terms energy: -487.348392
where:
bonds (distance) C4'-P energy: -94.088
bonds (distance) P-C4' energy: -98.599
flat angles C4'-P-C4' energy: -99.235
flat angles P-C4'-P energy: -59.167
tors. eta vs tors. theta energy: -136.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -953.945709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.945709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.945709 (E_RNA)
where:
Base-Base interactions energy: -523.356
where: short stacking energy: -298.084
Base-Backbone interact. energy: 3.601
local terms energy: -434.190725
where:
bonds (distance) C4'-P energy: -97.567
bonds (distance) P-C4' energy: -94.413
flat angles C4'-P-C4' energy: -101.597
flat angles P-C4'-P energy: -63.241
tors. eta vs tors. theta energy: -77.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -853.647624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.647624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.647624 (E_RNA)
where:
Base-Base interactions energy: -457.561
where: short stacking energy: -269.992
Base-Backbone interact. energy: -2.117
local terms energy: -393.970225
where:
bonds (distance) C4'-P energy: -81.585
bonds (distance) P-C4' energy: -95.417
flat angles C4'-P-C4' energy: -95.997
flat angles P-C4'-P energy: -57.966
tors. eta vs tors. theta energy: -63.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -686.768235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.768235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.768235 (E_RNA)
where:
Base-Base interactions energy: -352.149
where: short stacking energy: -252.564
Base-Backbone interact. energy: -1.914
local terms energy: -332.704925
where:
bonds (distance) C4'-P energy: -81.969
bonds (distance) P-C4' energy: -86.891
flat angles C4'-P-C4' energy: -76.857
flat angles P-C4'-P energy: -37.438
tors. eta vs tors. theta energy: -49.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -514.978510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.978510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.978510 (E_RNA)
where:
Base-Base interactions energy: -206.305
where: short stacking energy: -184.671
Base-Backbone interact. energy: -2.011
local terms energy: -306.662430
where:
bonds (distance) C4'-P energy: -93.499
bonds (distance) P-C4' energy: -74.997
flat angles C4'-P-C4' energy: -74.100
flat angles P-C4'-P energy: -38.874
tors. eta vs tors. theta energy: -25.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -466.472062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.472062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.472062 (E_RNA)
where:
Base-Base interactions energy: -157.188
where: short stacking energy: -142.986
Base-Backbone interact. energy: 4.928
local terms energy: -314.211724
where:
bonds (distance) C4'-P energy: -80.792
bonds (distance) P-C4' energy: -90.097
flat angles C4'-P-C4' energy: -84.759
flat angles P-C4'-P energy: -47.099
tors. eta vs tors. theta energy: -11.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -438.929505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.929505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.929505 (E_RNA)
where:
Base-Base interactions energy: -159.617
where: short stacking energy: -130.773
Base-Backbone interact. energy: 2.295
local terms energy: -281.607268
where:
bonds (distance) C4'-P energy: -76.537
bonds (distance) P-C4' energy: -88.674
flat angles C4'-P-C4' energy: -60.179
flat angles P-C4'-P energy: -38.531
tors. eta vs tors. theta energy: -17.687
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: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -372.297698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.297698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.297698 (E_RNA)
where:
Base-Base interactions energy: -116.806
where: short stacking energy: -98.761
Base-Backbone interact. energy: -2.230
local terms energy: -253.262369
where:
bonds (distance) C4'-P energy: -79.877
bonds (distance) P-C4' energy: -87.543
flat angles C4'-P-C4' energy: -60.771
flat angles P-C4'-P energy: -28.791
tors. eta vs tors. theta energy: 3.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -354.929183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.929183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.929183 (E_RNA)
where:
Base-Base interactions energy: -115.257
where: short stacking energy: -104.793
Base-Backbone interact. energy: 6.786
local terms energy: -246.458574
where:
bonds (distance) C4'-P energy: -74.171
bonds (distance) P-C4' energy: -77.896
flat angles C4'-P-C4' energy: -56.824
flat angles P-C4'-P energy: -38.438
tors. eta vs tors. theta energy: 0.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1247.523316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.523316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.523316 (E_RNA)
where:
Base-Base interactions energy: -750.398
where: short stacking energy: -443.251
Base-Backbone interact. energy: -0.949
local terms energy: -496.177166
where:
bonds (distance) C4'-P energy: -96.068
bonds (distance) P-C4' energy: -92.331
flat angles C4'-P-C4' energy: -106.475
flat angles P-C4'-P energy: -64.102
tors. eta vs tors. theta energy: -137.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1158.800856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.800856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.800856 (E_RNA)
where:
Base-Base interactions energy: -697.870
where: short stacking energy: -430.279
Base-Backbone interact. energy: -0.835
local terms energy: -460.096002
where:
bonds (distance) C4'-P energy: -86.986
bonds (distance) P-C4' energy: -86.274
flat angles C4'-P-C4' energy: -99.062
flat angles P-C4'-P energy: -61.919
tors. eta vs tors. theta energy: -125.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1010.106982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.106982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.106982 (E_RNA)
where:
Base-Base interactions energy: -580.235
where: short stacking energy: -375.358
Base-Backbone interact. energy: 0.615
local terms energy: -430.486341
where:
bonds (distance) C4'-P energy: -87.414
bonds (distance) P-C4' energy: -93.023
flat angles C4'-P-C4' energy: -87.642
flat angles P-C4'-P energy: -56.460
tors. eta vs tors. theta energy: -105.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -829.478373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.478373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.478373 (E_RNA)
where:
Base-Base interactions energy: -453.794
where: short stacking energy: -271.276
Base-Backbone interact. energy: -0.995
local terms energy: -374.689554
where:
bonds (distance) C4'-P energy: -66.900
bonds (distance) P-C4' energy: -106.371
flat angles C4'-P-C4' energy: -93.545
flat angles P-C4'-P energy: -48.497
tors. eta vs tors. theta energy: -59.377
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: 5
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -704.438212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.438212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.438212 (E_RNA)
where:
Base-Base interactions energy: -335.349
where: short stacking energy: -235.017
Base-Backbone interact. energy: -0.956
local terms energy: -368.132593
where:
bonds (distance) C4'-P energy: -90.857
bonds (distance) P-C4' energy: -88.655
flat angles C4'-P-C4' energy: -80.216
flat angles P-C4'-P energy: -61.801
tors. eta vs tors. theta energy: -46.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -535.140516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.140516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.140516 (E_RNA)
where:
Base-Base interactions energy: -230.383
where: short stacking energy: -188.828
Base-Backbone interact. energy: 2.260
local terms energy: -307.017854
where:
bonds (distance) C4'-P energy: -79.942
bonds (distance) P-C4' energy: -91.802
flat angles C4'-P-C4' energy: -68.496
flat angles P-C4'-P energy: -46.326
tors. eta vs tors. theta energy: -20.451
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: 3
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -460.762579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.762579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.762579 (E_RNA)
where:
Base-Base interactions energy: -161.274
where: short stacking energy: -141.419
Base-Backbone interact. energy: -0.415
local terms energy: -299.073102
where:
bonds (distance) C4'-P energy: -80.798
bonds (distance) P-C4' energy: -88.454
flat angles C4'-P-C4' energy: -68.045
flat angles P-C4'-P energy: -49.317
tors. eta vs tors. theta energy: -12.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -411.742102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.742102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.742102 (E_RNA)
where:
Base-Base interactions energy: -165.254
where: short stacking energy: -151.380
Base-Backbone interact. energy: -1.417
local terms energy: -245.070529
where:
bonds (distance) C4'-P energy: -56.919
bonds (distance) P-C4' energy: -74.873
flat angles C4'-P-C4' energy: -71.266
flat angles P-C4'-P energy: -40.245
tors. eta vs tors. theta energy: -1.768
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: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -376.573744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.573744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.573744 (E_RNA)
where:
Base-Base interactions energy: -125.498
where: short stacking energy: -108.865
Base-Backbone interact. energy: -1.600
local terms energy: -249.476318
where:
bonds (distance) C4'-P energy: -75.181
bonds (distance) P-C4' energy: -87.554
flat angles C4'-P-C4' energy: -62.891
flat angles P-C4'-P energy: -46.314
tors. eta vs tors. theta energy: 22.463
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: 1
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -369.318482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.318482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.318482 (E_RNA)
where:
Base-Base interactions energy: -131.030
where: short stacking energy: -112.043
Base-Backbone interact. energy: -0.126
local terms energy: -238.162285
where:
bonds (distance) C4'-P energy: -63.296
bonds (distance) P-C4' energy: -90.754
flat angles C4'-P-C4' energy: -53.442
flat angles P-C4'-P energy: -46.694
tors. eta vs tors. theta energy: 16.024
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: 6
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1244.698376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.698376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.698376 (E_RNA)
where:
Base-Base interactions energy: -750.746
where: short stacking energy: -425.075
Base-Backbone interact. energy: -1.630
local terms energy: -492.322081
where:
bonds (distance) C4'-P energy: -101.859
bonds (distance) P-C4' energy: -83.998
flat angles C4'-P-C4' energy: -110.182
flat angles P-C4'-P energy: -61.923
tors. eta vs tors. theta energy: -134.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1155.800945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.800945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.800945 (E_RNA)
where:
Base-Base interactions energy: -692.919
where: short stacking energy: -417.328
Base-Backbone interact. energy: -0.499
local terms energy: -462.383058
where:
bonds (distance) C4'-P energy: -96.127
bonds (distance) P-C4' energy: -93.524
flat angles C4'-P-C4' energy: -96.779
flat angles P-C4'-P energy: -60.787
tors. eta vs tors. theta energy: -115.166
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: 10
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -944.161746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.161746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.161746 (E_RNA)
where:
Base-Base interactions energy: -536.016
where: short stacking energy: -327.096
Base-Backbone interact. energy: 0.910
local terms energy: -409.055992
where:
bonds (distance) C4'-P energy: -85.774
bonds (distance) P-C4' energy: -86.254
flat angles C4'-P-C4' energy: -87.318
flat angles P-C4'-P energy: -60.083
tors. eta vs tors. theta energy: -89.627
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: 7
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -881.620229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.620229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.620229 (E_RNA)
where:
Base-Base interactions energy: -469.830
where: short stacking energy: -289.537
Base-Backbone interact. energy: -0.288
local terms energy: -411.502751
where:
bonds (distance) C4'-P energy: -85.165
bonds (distance) P-C4' energy: -98.757
flat angles C4'-P-C4' energy: -89.755
flat angles P-C4'-P energy: -58.526
tors. eta vs tors. theta energy: -79.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -692.044548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.044548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.044548 (E_RNA)
where:
Base-Base interactions energy: -337.154
where: short stacking energy: -218.657
Base-Backbone interact. energy: -0.031
local terms energy: -354.859065
where:
bonds (distance) C4'-P energy: -84.454
bonds (distance) P-C4' energy: -88.043
flat angles C4'-P-C4' energy: -73.254
flat angles P-C4'-P energy: -57.080
tors. eta vs tors. theta energy: -52.028
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: 6, replica: 4
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -488.628443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.628443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.628443 (E_RNA)
where:
Base-Base interactions energy: -199.921
where: short stacking energy: -159.042
Base-Backbone interact. energy: 0.184
local terms energy: -288.890607
where:
bonds (distance) C4'-P energy: -78.115
bonds (distance) P-C4' energy: -74.063
flat angles C4'-P-C4' energy: -78.676
flat angles P-C4'-P energy: -45.729
tors. eta vs tors. theta energy: -12.308
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: 8
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -470.935012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.935012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.935012 (E_RNA)
where:
Base-Base interactions energy: -191.117
where: short stacking energy: -155.552
Base-Backbone interact. energy: 2.368
local terms energy: -282.186533
where:
bonds (distance) C4'-P energy: -82.250
bonds (distance) P-C4' energy: -78.007
flat angles C4'-P-C4' energy: -68.174
flat angles P-C4'-P energy: -43.732
tors. eta vs tors. theta energy: -10.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -433.573408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.573408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.573408 (E_RNA)
where:
Base-Base interactions energy: -148.257
where: short stacking energy: -133.687
Base-Backbone interact. energy: 3.281
local terms energy: -288.597797
where:
bonds (distance) C4'-P energy: -67.902
bonds (distance) P-C4' energy: -71.418
flat angles C4'-P-C4' energy: -78.607
flat angles P-C4'-P energy: -54.669
tors. eta vs tors. theta energy: -16.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -409.699891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.699891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.699891 (E_RNA)
where:
Base-Base interactions energy: -137.785
where: short stacking energy: -125.202
Base-Backbone interact. energy: 6.530
local terms energy: -278.445197
where:
bonds (distance) C4'-P energy: -78.780
bonds (distance) P-C4' energy: -82.369
flat angles C4'-P-C4' energy: -62.422
flat angles P-C4'-P energy: -53.463
tors. eta vs tors. theta energy: -1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -362.748121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.748121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.748121 (E_RNA)
where:
Base-Base interactions energy: -138.404
where: short stacking energy: -102.564
Base-Backbone interact. energy: 3.667
local terms energy: -228.011096
where:
bonds (distance) C4'-P energy: -77.131
bonds (distance) P-C4' energy: -74.124
flat angles C4'-P-C4' energy: -62.239
flat angles P-C4'-P energy: -28.226
tors. eta vs tors. theta energy: 13.709
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: 6
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1262.861445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.861445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.861445 (E_RNA)
where:
Base-Base interactions energy: -781.350
where: short stacking energy: -436.707
Base-Backbone interact. energy: -1.108
local terms energy: -480.403529
where:
bonds (distance) C4'-P energy: -82.096
bonds (distance) P-C4' energy: -98.015
flat angles C4'-P-C4' energy: -101.348
flat angles P-C4'-P energy: -73.207
tors. eta vs tors. theta energy: -125.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1184.972063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.972063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.972063 (E_RNA)
where:
Base-Base interactions energy: -701.119
where: short stacking energy: -439.090
Base-Backbone interact. energy: 0.145
local terms energy: -483.997372
where:
bonds (distance) C4'-P energy: -93.826
bonds (distance) P-C4' energy: -93.923
flat angles C4'-P-C4' energy: -102.115
flat angles P-C4'-P energy: -64.411
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: 3, replica: 10
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -966.819227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.819227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.819227 (E_RNA)
where:
Base-Base interactions energy: -533.952
where: short stacking energy: -318.029
Base-Backbone interact. energy: -0.659
local terms energy: -432.207941
where:
bonds (distance) C4'-P energy: -88.093
bonds (distance) P-C4' energy: -92.709
flat angles C4'-P-C4' energy: -103.766
flat angles P-C4'-P energy: -53.455
tors. eta vs tors. theta energy: -94.185
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: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -873.556029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.556029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.556029 (E_RNA)
where:
Base-Base interactions energy: -472.273
where: short stacking energy: -281.458
Base-Backbone interact. energy: 0.716
local terms energy: -401.999160
where:
bonds (distance) C4'-P energy: -83.484
bonds (distance) P-C4' energy: -92.531
flat angles C4'-P-C4' energy: -88.041
flat angles P-C4'-P energy: -60.519
tors. eta vs tors. theta energy: -77.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -679.860255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.860255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.860255 (E_RNA)
where:
Base-Base interactions energy: -339.790
where: short stacking energy: -218.173
Base-Backbone interact. energy: 0.679
local terms energy: -340.748673
where:
bonds (distance) C4'-P energy: -84.770
bonds (distance) P-C4' energy: -87.210
flat angles C4'-P-C4' energy: -91.312
flat angles P-C4'-P energy: -41.837
tors. eta vs tors. theta energy: -35.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -479.201998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.201998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.201998 (E_RNA)
where:
Base-Base interactions energy: -168.528
where: short stacking energy: -128.092
Base-Backbone interact. energy: -1.310
local terms energy: -309.363245
where:
bonds (distance) C4'-P energy: -72.560
bonds (distance) P-C4' energy: -90.492
flat angles C4'-P-C4' energy: -86.147
flat angles P-C4'-P energy: -50.652
tors. eta vs tors. theta energy: -9.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -494.975038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.975038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.975038 (E_RNA)
where:
Base-Base interactions energy: -209.735
where: short stacking energy: -152.665
Base-Backbone interact. energy: -3.351
local terms energy: -281.888951
where:
bonds (distance) C4'-P energy: -56.491
bonds (distance) P-C4' energy: -83.536
flat angles C4'-P-C4' energy: -74.719
flat angles P-C4'-P energy: -48.283
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -388.995425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.995425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.995425 (E_RNA)
where:
Base-Base interactions energy: -127.900
where: short stacking energy: -107.186
Base-Backbone interact. energy: -0.914
local terms energy: -260.181929
where:
bonds (distance) C4'-P energy: -82.766
bonds (distance) P-C4' energy: -86.562
flat angles C4'-P-C4' energy: -74.612
flat angles P-C4'-P energy: -28.904
tors. eta vs tors. theta energy: 12.662
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: 3
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -399.780919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.780919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.780919 (E_RNA)
where:
Base-Base interactions energy: -144.051
where: short stacking energy: -122.721
Base-Backbone interact. energy: 1.698
local terms energy: -257.427788
where:
bonds (distance) C4'-P energy: -71.069
bonds (distance) P-C4' energy: -67.423
flat angles C4'-P-C4' energy: -75.308
flat angles P-C4'-P energy: -32.015
tors. eta vs tors. theta energy: -11.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -380.431569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.431569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.431569 (E_RNA)
where:
Base-Base interactions energy: -118.743
where: short stacking energy: -110.906
Base-Backbone interact. energy: -0.390
local terms energy: -261.298466
where:
bonds (distance) C4'-P energy: -76.453
bonds (distance) P-C4' energy: -92.117
flat angles C4'-P-C4' energy: -64.364
flat angles P-C4'-P energy: -32.902
tors. eta vs tors. theta energy: 4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1286.280227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.280227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.280227 (E_RNA)
where:
Base-Base interactions energy: -779.873
where: short stacking energy: -469.233
Base-Backbone interact. energy: -1.286
local terms energy: -505.121551
where:
bonds (distance) C4'-P energy: -87.071
bonds (distance) P-C4' energy: -91.794
flat angles C4'-P-C4' energy: -106.336
flat angles P-C4'-P energy: -75.598
tors. eta vs tors. theta energy: -144.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1176.598214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.598214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.598214 (E_RNA)
where:
Base-Base interactions energy: -710.493
where: short stacking energy: -428.748
Base-Backbone interact. energy: -0.554
local terms energy: -465.551940
where:
bonds (distance) C4'-P energy: -86.252
bonds (distance) P-C4' energy: -88.093
flat angles C4'-P-C4' energy: -87.277
flat angles P-C4'-P energy: -74.633
tors. eta vs tors. theta energy: -129.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -936.627463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.627463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.627463 (E_RNA)
where:
Base-Base interactions energy: -535.253
where: short stacking energy: -334.496
Base-Backbone interact. energy: -0.267
local terms energy: -401.107737
where:
bonds (distance) C4'-P energy: -76.898
bonds (distance) P-C4' energy: -87.791
flat angles C4'-P-C4' energy: -104.109
flat angles P-C4'-P energy: -49.743
tors. eta vs tors. theta energy: -82.567
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: 454
Temperature: 1.050000
Total energy: -856.773758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.773758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.773758 (E_RNA)
where:
Base-Base interactions energy: -469.909
where: short stacking energy: -278.380
Base-Backbone interact. energy: 0.805
local terms energy: -387.669599
where:
bonds (distance) C4'-P energy: -73.347
bonds (distance) P-C4' energy: -88.241
flat angles C4'-P-C4' energy: -100.151
flat angles P-C4'-P energy: -60.223
tors. eta vs tors. theta energy: -65.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -660.283885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.283885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.283885 (E_RNA)
where:
Base-Base interactions energy: -327.808
where: short stacking energy: -233.637
Base-Backbone interact. energy: -1.432
local terms energy: -331.043505
where:
bonds (distance) C4'-P energy: -76.970
bonds (distance) P-C4' energy: -84.975
flat angles C4'-P-C4' energy: -75.831
flat angles P-C4'-P energy: -50.842
tors. eta vs tors. theta energy: -42.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -533.978703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.978703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.978703 (E_RNA)
where:
Base-Base interactions energy: -220.922
where: short stacking energy: -191.640
Base-Backbone interact. energy: -0.001
local terms energy: -313.055135
where:
bonds (distance) C4'-P energy: -64.822
bonds (distance) P-C4' energy: -97.802
flat angles C4'-P-C4' energy: -80.592
flat angles P-C4'-P energy: -46.884
tors. eta vs tors. theta energy: -22.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -499.975538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.975538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.975538 (E_RNA)
where:
Base-Base interactions energy: -204.431
where: short stacking energy: -156.408
Base-Backbone interact. energy: -1.300
local terms energy: -294.244878
where:
bonds (distance) C4'-P energy: -79.271
bonds (distance) P-C4' energy: -85.997
flat angles C4'-P-C4' energy: -84.420
flat angles P-C4'-P energy: -36.082
tors. eta vs tors. theta energy: -8.475
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: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -403.954271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.954271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.954271 (E_RNA)
where:
Base-Base interactions energy: -138.504
where: short stacking energy: -120.331
Base-Backbone interact. energy: -0.737
local terms energy: -264.713062
where:
bonds (distance) C4'-P energy: -64.497
bonds (distance) P-C4' energy: -83.982
flat angles C4'-P-C4' energy: -78.446
flat angles P-C4'-P energy: -36.463
tors. eta vs tors. theta energy: -1.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -377.997683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.997683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.997683 (E_RNA)
where:
Base-Base interactions energy: -102.256
where: short stacking energy: -76.759
Base-Backbone interact. energy: -1.475
local terms energy: -274.267101
where:
bonds (distance) C4'-P energy: -83.070
bonds (distance) P-C4' energy: -86.231
flat angles C4'-P-C4' energy: -79.577
flat angles P-C4'-P energy: -43.136
tors. eta vs tors. theta energy: 17.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -336.281686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.281686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.281686 (E_RNA)
where:
Base-Base interactions energy: -108.621
where: short stacking energy: -98.952
Base-Backbone interact. energy: -1.808
local terms energy: -225.853005
where:
bonds (distance) C4'-P energy: -72.904
bonds (distance) P-C4' energy: -63.438
flat angles C4'-P-C4' energy: -80.494
flat angles P-C4'-P energy: -29.660
tors. eta vs tors. theta energy: 20.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1258.039145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.039145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.039145 (E_RNA)
where:
Base-Base interactions energy: -783.660
where: short stacking energy: -449.390
Base-Backbone interact. energy: -1.213
local terms energy: -473.166529
where:
bonds (distance) C4'-P energy: -91.581
bonds (distance) P-C4' energy: -86.726
flat angles C4'-P-C4' energy: -103.469
flat angles P-C4'-P energy: -51.554
tors. eta vs tors. theta energy: -139.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1197.026810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.026810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.026810 (E_RNA)
where:
Base-Base interactions energy: -716.415
where: short stacking energy: -439.726
Base-Backbone interact. energy: -0.484
local terms energy: -480.127502
where:
bonds (distance) C4'-P energy: -92.399
bonds (distance) P-C4' energy: -90.606
flat angles C4'-P-C4' energy: -100.558
flat angles P-C4'-P energy: -61.428
tors. eta vs tors. theta energy: -135.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -957.735472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.735472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.735472 (E_RNA)
where:
Base-Base interactions energy: -543.909
where: short stacking energy: -346.851
Base-Backbone interact. energy: 1.257
local terms energy: -415.083940
where:
bonds (distance) C4'-P energy: -91.246
bonds (distance) P-C4' energy: -74.714
flat angles C4'-P-C4' energy: -90.903
flat angles P-C4'-P energy: -62.695
tors. eta vs tors. theta energy: -95.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -857.348406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.348406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.348406 (E_RNA)
where:
Base-Base interactions energy: -446.288
where: short stacking energy: -281.534
Base-Backbone interact. energy: -1.129
local terms energy: -409.931919
where:
bonds (distance) C4'-P energy: -83.509
bonds (distance) P-C4' energy: -87.756
flat angles C4'-P-C4' energy: -90.604
flat angles P-C4'-P energy: -74.357
tors. eta vs tors. theta energy: -73.706
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: 5, replica: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -637.987625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.987625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.987625 (E_RNA)
where:
Base-Base interactions energy: -283.081
where: short stacking energy: -173.969
Base-Backbone interact. energy: -1.606
local terms energy: -353.300110
where:
bonds (distance) C4'-P energy: -84.837
bonds (distance) P-C4' energy: -89.920
flat angles C4'-P-C4' energy: -95.311
flat angles P-C4'-P energy: -52.951
tors. eta vs tors. theta energy: -30.281
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: 4
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -550.053077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.053077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.053077 (E_RNA)
where:
Base-Base interactions energy: -234.955
where: short stacking energy: -178.854
Base-Backbone interact. energy: 0.391
local terms energy: -315.488389
where:
bonds (distance) C4'-P energy: -88.362
bonds (distance) P-C4' energy: -78.282
flat angles C4'-P-C4' energy: -76.648
flat angles P-C4'-P energy: -52.566
tors. eta vs tors. theta energy: -19.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -461.877960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.877960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.877960 (E_RNA)
where:
Base-Base interactions energy: -160.789
where: short stacking energy: -129.732
Base-Backbone interact. energy: 3.795
local terms energy: -304.883351
where:
bonds (distance) C4'-P energy: -83.256
bonds (distance) P-C4' energy: -79.961
flat angles C4'-P-C4' energy: -84.745
flat angles P-C4'-P energy: -50.860
tors. eta vs tors. theta energy: -6.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -414.519361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.519361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.519361 (E_RNA)
where:
Base-Base interactions energy: -148.852
where: short stacking energy: -134.205
Base-Backbone interact. energy: 0.634
local terms energy: -266.300965
where:
bonds (distance) C4'-P energy: -60.280
bonds (distance) P-C4' energy: -77.762
flat angles C4'-P-C4' energy: -65.070
flat angles P-C4'-P energy: -50.637
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: 9, replica: 3
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -367.562456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.562456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.562456 (E_RNA)
where:
Base-Base interactions energy: -121.058
where: short stacking energy: -111.560
Base-Backbone interact. energy: -1.209
local terms energy: -245.295305
where:
bonds (distance) C4'-P energy: -59.783
bonds (distance) P-C4' energy: -90.241
flat angles C4'-P-C4' energy: -68.185
flat angles P-C4'-P energy: -41.477
tors. eta vs tors. theta energy: 14.390
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: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -356.410590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.410590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.410590 (E_RNA)
where:
Base-Base interactions energy: -118.851
where: short stacking energy: -89.905
Base-Backbone interact. energy: 0.940
local terms energy: -238.499695
where:
bonds (distance) C4'-P energy: -72.508
bonds (distance) P-C4' energy: -82.568
flat angles C4'-P-C4' energy: -50.809
flat angles P-C4'-P energy: -44.136
tors. eta vs tors. theta energy: 11.521
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: 1, replica: 6
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1233.685162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.685162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.685162 (E_RNA)
where:
Base-Base interactions energy: -726.543
where: short stacking energy: -410.357
Base-Backbone interact. energy: -1.653
local terms energy: -505.489035
where:
bonds (distance) C4'-P energy: -95.933
bonds (distance) P-C4' energy: -92.809
flat angles C4'-P-C4' energy: -104.164
flat angles P-C4'-P energy: -78.678
tors. eta vs tors. theta energy: -133.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1145.912400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.912400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.912400 (E_RNA)
where:
Base-Base interactions energy: -679.417
where: short stacking energy: -410.083
Base-Backbone interact. energy: 0.196
local terms energy: -466.691932
where:
bonds (distance) C4'-P energy: -86.019
bonds (distance) P-C4' energy: -87.239
flat angles C4'-P-C4' energy: -101.620
flat angles P-C4'-P energy: -64.142
tors. eta vs tors. theta energy: -127.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -877.572097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.572097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.572097 (E_RNA)
where:
Base-Base interactions energy: -474.578
where: short stacking energy: -283.926
Base-Backbone interact. energy: -1.460
local terms energy: -401.533272
where:
bonds (distance) C4'-P energy: -88.239
bonds (distance) P-C4' energy: -95.534
flat angles C4'-P-C4' energy: -85.194
flat angles P-C4'-P energy: -64.702
tors. eta vs tors. theta energy: -67.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -889.838670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.838670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.838670 (E_RNA)
where:
Base-Base interactions energy: -483.421
where: short stacking energy: -295.379
Base-Backbone interact. energy: -1.783
local terms energy: -404.634252
where:
bonds (distance) C4'-P energy: -79.502
bonds (distance) P-C4' energy: -98.948
flat angles C4'-P-C4' energy: -87.988
flat angles P-C4'-P energy: -54.177
tors. eta vs tors. theta energy: -84.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -633.032364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.032364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.032364 (E_RNA)
where:
Base-Base interactions energy: -291.834
where: short stacking energy: -193.684
Base-Backbone interact. energy: 1.105
local terms energy: -342.302926
where:
bonds (distance) C4'-P energy: -79.149
bonds (distance) P-C4' energy: -105.261
flat angles C4'-P-C4' energy: -77.379
flat angles P-C4'-P energy: -45.481
tors. eta vs tors. theta energy: -35.032
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: 4
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -550.099697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.099697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.099697 (E_RNA)
where:
Base-Base interactions energy: -231.235
where: short stacking energy: -169.178
Base-Backbone interact. energy: -1.058
local terms energy: -317.806459
where:
bonds (distance) C4'-P energy: -75.792
bonds (distance) P-C4' energy: -77.432
flat angles C4'-P-C4' energy: -88.583
flat angles P-C4'-P energy: -53.841
tors. eta vs tors. theta energy: -22.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -459.113622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.113622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.113622 (E_RNA)
where:
Base-Base interactions energy: -175.036
where: short stacking energy: -142.749
Base-Backbone interact. energy: -1.390
local terms energy: -282.687380
where:
bonds (distance) C4'-P energy: -70.440
bonds (distance) P-C4' energy: -89.123
flat angles C4'-P-C4' energy: -72.881
flat angles P-C4'-P energy: -47.074
tors. eta vs tors. theta energy: -3.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -404.886067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.886067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.886067 (E_RNA)
where:
Base-Base interactions energy: -156.874
where: short stacking energy: -127.882
Base-Backbone interact. energy: 2.490
local terms energy: -250.502586
where:
bonds (distance) C4'-P energy: -66.459
bonds (distance) P-C4' energy: -70.792
flat angles C4'-P-C4' energy: -63.288
flat angles P-C4'-P energy: -51.838
tors. eta vs tors. theta energy: 1.874
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: 3
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -374.288319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.288319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.288319 (E_RNA)
where:
Base-Base interactions energy: -136.073
where: short stacking energy: -109.041
Base-Backbone interact. energy: 0.770
local terms energy: -238.985706
where:
bonds (distance) C4'-P energy: -77.156
bonds (distance) P-C4' energy: -74.063
flat angles C4'-P-C4' energy: -51.053
flat angles P-C4'-P energy: -52.398
tors. eta vs tors. theta energy: 15.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -336.376982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.376982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.376982 (E_RNA)
where:
Base-Base interactions energy: -98.270
where: short stacking energy: -79.496
Base-Backbone interact. energy: 2.494
local terms energy: -240.600935
where:
bonds (distance) C4'-P energy: -74.444
bonds (distance) P-C4' energy: -91.507
flat angles C4'-P-C4' energy: -46.897
flat angles P-C4'-P energy: -33.424
tors. eta vs tors. theta energy: 5.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1255.823280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.823280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.823280 (E_RNA)
where:
Base-Base interactions energy: -754.846
where: short stacking energy: -420.990
Base-Backbone interact. energy: -1.442
local terms energy: -499.534349
where:
bonds (distance) C4'-P energy: -95.791
bonds (distance) P-C4' energy: -97.560
flat angles C4'-P-C4' energy: -108.199
flat angles P-C4'-P energy: -71.387
tors. eta vs tors. theta energy: -126.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1164.335810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.335810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.335810 (E_RNA)
where:
Base-Base interactions energy: -697.846
where: short stacking energy: -409.697
Base-Backbone interact. energy: 1.469
local terms energy: -467.958943
where:
bonds (distance) C4'-P energy: -87.723
bonds (distance) P-C4' energy: -93.182
flat angles C4'-P-C4' energy: -95.639
flat angles P-C4'-P energy: -74.084
tors. eta vs tors. theta energy: -117.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -868.973211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.973211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.973211 (E_RNA)
where:
Base-Base interactions energy: -475.848
where: short stacking energy: -296.042
Base-Backbone interact. energy: 2.781
local terms energy: -395.906396
where:
bonds (distance) C4'-P energy: -97.167
bonds (distance) P-C4' energy: -89.281
flat angles C4'-P-C4' energy: -85.611
flat angles P-C4'-P energy: -53.649
tors. eta vs tors. theta energy: -70.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -837.306897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.306897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.306897 (E_RNA)
where:
Base-Base interactions energy: -452.702
where: short stacking energy: -274.211
Base-Backbone interact. energy: -1.700
local terms energy: -382.905056
where:
bonds (distance) C4'-P energy: -97.351
bonds (distance) P-C4' energy: -82.423
flat angles C4'-P-C4' energy: -82.866
flat angles P-C4'-P energy: -57.628
tors. eta vs tors. theta energy: -62.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -663.957821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.957821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.957821 (E_RNA)
where:
Base-Base interactions energy: -310.022
where: short stacking energy: -186.812
Base-Backbone interact. energy: -1.822
local terms energy: -352.114073
where:
bonds (distance) C4'-P energy: -86.291
bonds (distance) P-C4' energy: -87.923
flat angles C4'-P-C4' energy: -95.621
flat angles P-C4'-P energy: -60.808
tors. eta vs tors. theta energy: -21.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -567.062274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.062274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.062274 (E_RNA)
where:
Base-Base interactions energy: -244.301
where: short stacking energy: -164.671
Base-Backbone interact. energy: -1.766
local terms energy: -320.994817
where:
bonds (distance) C4'-P energy: -84.174
bonds (distance) P-C4' energy: -90.969
flat angles C4'-P-C4' energy: -81.117
flat angles P-C4'-P energy: -47.721
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -457.077220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.077220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.077220 (E_RNA)
where:
Base-Base interactions energy: -170.304
where: short stacking energy: -148.167
Base-Backbone interact. energy: 0.544
local terms energy: -287.317412
where:
bonds (distance) C4'-P energy: -76.527
bonds (distance) P-C4' energy: -95.009
flat angles C4'-P-C4' energy: -73.561
flat angles P-C4'-P energy: -38.702
tors. eta vs tors. theta energy: -3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -421.087450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.087450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.087450 (E_RNA)
where:
Base-Base interactions energy: -146.170
where: short stacking energy: -123.545
Base-Backbone interact. energy: 1.451
local terms energy: -276.368572
where:
bonds (distance) C4'-P energy: -80.104
bonds (distance) P-C4' energy: -80.125
flat angles C4'-P-C4' energy: -68.298
flat angles P-C4'-P energy: -49.823
tors. eta vs tors. theta energy: 1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -386.893793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.893793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.893793 (E_RNA)
where:
Base-Base interactions energy: -120.911
where: short stacking energy: -109.602
Base-Backbone interact. energy: 5.434
local terms energy: -271.417109
where:
bonds (distance) C4'-P energy: -80.317
bonds (distance) P-C4' energy: -82.788
flat angles C4'-P-C4' energy: -73.244
flat angles P-C4'-P energy: -30.440
tors. eta vs tors. theta energy: -4.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -333.314181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.314181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.314181 (E_RNA)
where:
Base-Base interactions energy: -89.438
where: short stacking energy: -81.396
Base-Backbone interact. energy: -1.290
local terms energy: -242.585783
where:
bonds (distance) C4'-P energy: -88.450
bonds (distance) P-C4' energy: -76.539
flat angles C4'-P-C4' energy: -72.678
flat angles P-C4'-P energy: -19.011
tors. eta vs tors. theta energy: 14.092
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: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1246.446230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.446230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.446230 (E_RNA)
where:
Base-Base interactions energy: -769.576
where: short stacking energy: -460.608
Base-Backbone interact. energy: 1.875
local terms energy: -478.745341
where:
bonds (distance) C4'-P energy: -83.534
bonds (distance) P-C4' energy: -90.065
flat angles C4'-P-C4' energy: -103.460
flat angles P-C4'-P energy: -67.656
tors. eta vs tors. theta energy: -134.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1157.989118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.989118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.989118 (E_RNA)
where:
Base-Base interactions energy: -679.406
where: short stacking energy: -416.413
Base-Backbone interact. energy: 0.492
local terms energy: -479.075565
where:
bonds (distance) C4'-P energy: -83.686
bonds (distance) P-C4' energy: -97.165
flat angles C4'-P-C4' energy: -102.171
flat angles P-C4'-P energy: -67.413
tors. eta vs tors. theta energy: -128.641
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: 10
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -931.877552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.877552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.877552 (E_RNA)
where:
Base-Base interactions energy: -522.576
where: short stacking energy: -318.123
Base-Backbone interact. energy: -0.627
local terms energy: -408.673659
where:
bonds (distance) C4'-P energy: -88.832
bonds (distance) P-C4' energy: -86.913
flat angles C4'-P-C4' energy: -89.161
flat angles P-C4'-P energy: -55.752
tors. eta vs tors. theta energy: -88.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -882.112995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.112995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.112995 (E_RNA)
where:
Base-Base interactions energy: -490.724
where: short stacking energy: -290.849
Base-Backbone interact. energy: 0.883
local terms energy: -392.271914
where:
bonds (distance) C4'-P energy: -89.554
bonds (distance) P-C4' energy: -86.208
flat angles C4'-P-C4' energy: -89.355
flat angles P-C4'-P energy: -58.388
tors. eta vs tors. theta energy: -68.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -684.120231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.120231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.120231 (E_RNA)
where:
Base-Base interactions energy: -341.805
where: short stacking energy: -212.640
Base-Backbone interact. energy: -0.904
local terms energy: -341.412033
where:
bonds (distance) C4'-P energy: -81.687
bonds (distance) P-C4' energy: -77.418
flat angles C4'-P-C4' energy: -83.761
flat angles P-C4'-P energy: -51.524
tors. eta vs tors. theta energy: -47.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -579.408194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.408194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.408194 (E_RNA)
where:
Base-Base interactions energy: -233.887
where: short stacking energy: -175.038
Base-Backbone interact. energy: 1.458
local terms energy: -346.978946
where:
bonds (distance) C4'-P energy: -87.289
bonds (distance) P-C4' energy: -96.197
flat angles C4'-P-C4' energy: -74.492
flat angles P-C4'-P energy: -68.100
tors. eta vs tors. theta energy: -20.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -451.414762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.414762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.414762 (E_RNA)
where:
Base-Base interactions energy: -149.210
where: short stacking energy: -127.761
Base-Backbone interact. energy: 1.784
local terms energy: -303.989393
where:
bonds (distance) C4'-P energy: -79.761
bonds (distance) P-C4' energy: -92.325
flat angles C4'-P-C4' energy: -77.676
flat angles P-C4'-P energy: -52.220
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -429.147827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.147827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.147827 (E_RNA)
where:
Base-Base interactions energy: -159.478
where: short stacking energy: -129.433
Base-Backbone interact. energy: -2.966
local terms energy: -266.704055
where:
bonds (distance) C4'-P energy: -63.682
bonds (distance) P-C4' energy: -86.388
flat angles C4'-P-C4' energy: -71.287
flat angles P-C4'-P energy: -31.866
tors. eta vs tors. theta energy: -13.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -384.121057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.121057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.121057 (E_RNA)
where:
Base-Base interactions energy: -110.117
where: short stacking energy: -103.123
Base-Backbone interact. energy: 1.316
local terms energy: -275.319776
where:
bonds (distance) C4'-P energy: -71.398
bonds (distance) P-C4' energy: -90.121
flat angles C4'-P-C4' energy: -72.324
flat angles P-C4'-P energy: -50.442
tors. eta vs tors. theta energy: 8.965
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: 10, replica: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -350.680801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.680801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.680801 (E_RNA)
where:
Base-Base interactions energy: -117.410
where: short stacking energy: -104.032
Base-Backbone interact. energy: -0.946
local terms energy: -232.325618
where:
bonds (distance) C4'-P energy: -76.649
bonds (distance) P-C4' energy: -79.598
flat angles C4'-P-C4' energy: -55.508
flat angles P-C4'-P energy: -34.440
tors. eta vs tors. theta energy: 13.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1217.784930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.784930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.784930 (E_RNA)
where:
Base-Base interactions energy: -731.456
where: short stacking energy: -448.359
Base-Backbone interact. energy: -2.590
local terms energy: -483.738588
where:
bonds (distance) C4'-P energy: -90.001
bonds (distance) P-C4' energy: -96.434
flat angles C4'-P-C4' energy: -92.590
flat angles P-C4'-P energy: -79.510
tors. eta vs tors. theta energy: -125.204
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: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1166.051834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.051834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.051834 (E_RNA)
where:
Base-Base interactions energy: -687.967
where: short stacking energy: -407.548
Base-Backbone interact. energy: 0.074
local terms energy: -478.158562
where:
bonds (distance) C4'-P energy: -89.988
bonds (distance) P-C4' energy: -85.588
flat angles C4'-P-C4' energy: -107.905
flat angles P-C4'-P energy: -71.618
tors. eta vs tors. theta energy: -123.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -911.264455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.264455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.264455 (E_RNA)
where:
Base-Base interactions energy: -497.547
where: short stacking energy: -321.659
Base-Backbone interact. energy: -0.535
local terms energy: -413.182218
where:
bonds (distance) C4'-P energy: -83.123
bonds (distance) P-C4' energy: -80.920
flat angles C4'-P-C4' energy: -93.839
flat angles P-C4'-P energy: -64.948
tors. eta vs tors. theta energy: -90.353
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: 459
Temperature: 1.050000
Total energy: -863.508120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.508120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.508120 (E_RNA)
where:
Base-Base interactions energy: -483.504
where: short stacking energy: -276.560
Base-Backbone interact. energy: 1.952
local terms energy: -381.955800
where:
bonds (distance) C4'-P energy: -93.146
bonds (distance) P-C4' energy: -84.354
flat angles C4'-P-C4' energy: -80.086
flat angles P-C4'-P energy: -55.578
tors. eta vs tors. theta energy: -68.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -682.184995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.184995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.184995 (E_RNA)
where:
Base-Base interactions energy: -337.869
where: short stacking energy: -224.575
Base-Backbone interact. energy: 1.584
local terms energy: -345.900525
where:
bonds (distance) C4'-P energy: -90.683
bonds (distance) P-C4' energy: -86.938
flat angles C4'-P-C4' energy: -82.581
flat angles P-C4'-P energy: -49.942
tors. eta vs tors. theta energy: -35.756
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: 1
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -541.892688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.892688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.892688 (E_RNA)
where:
Base-Base interactions energy: -219.462
where: short stacking energy: -173.421
Base-Backbone interact. energy: 0.469
local terms energy: -322.899620
where:
bonds (distance) C4'-P energy: -87.692
bonds (distance) P-C4' energy: -91.013
flat angles C4'-P-C4' energy: -81.543
flat angles P-C4'-P energy: -42.410
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -543.903392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.903392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.903392 (E_RNA)
where:
Base-Base interactions energy: -249.312
where: short stacking energy: -170.982
Base-Backbone interact. energy: -0.985
local terms energy: -293.605691
where:
bonds (distance) C4'-P energy: -73.595
bonds (distance) P-C4' energy: -69.397
flat angles C4'-P-C4' energy: -84.717
flat angles P-C4'-P energy: -49.330
tors. eta vs tors. theta energy: -16.566
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: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -420.541235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.541235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.541235 (E_RNA)
where:
Base-Base interactions energy: -131.061
where: short stacking energy: -125.018
Base-Backbone interact. energy: -0.144
local terms energy: -289.335736
where:
bonds (distance) C4'-P energy: -72.507
bonds (distance) P-C4' energy: -86.689
flat angles C4'-P-C4' energy: -72.750
flat angles P-C4'-P energy: -46.532
tors. eta vs tors. theta energy: -10.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -390.446416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.446416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.446416 (E_RNA)
where:
Base-Base interactions energy: -123.670
where: short stacking energy: -113.487
Base-Backbone interact. energy: -0.086
local terms energy: -266.690363
where:
bonds (distance) C4'-P energy: -76.286
bonds (distance) P-C4' energy: -84.285
flat angles C4'-P-C4' energy: -67.875
flat angles P-C4'-P energy: -50.013
tors. eta vs tors. theta energy: 11.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -375.520549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.520549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.520549 (E_RNA)
where:
Base-Base interactions energy: -127.867
where: short stacking energy: -121.878
Base-Backbone interact. energy: 2.980
local terms energy: -250.633698
where:
bonds (distance) C4'-P energy: -86.400
bonds (distance) P-C4' energy: -73.561
flat angles C4'-P-C4' energy: -65.074
flat angles P-C4'-P energy: -30.741
tors. eta vs tors. theta energy: 5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1268.012860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.012860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.012860 (E_RNA)
where:
Base-Base interactions energy: -752.566
where: short stacking energy: -442.329
Base-Backbone interact. energy: -0.407
local terms energy: -515.039092
where:
bonds (distance) C4'-P energy: -97.706
bonds (distance) P-C4' energy: -87.191
flat angles C4'-P-C4' energy: -109.063
flat angles P-C4'-P energy: -79.489
tors. eta vs tors. theta energy: -141.590
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: 460
Temperature: 0.950000
Total energy: -1174.309720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.309720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.309720 (E_RNA)
where:
Base-Base interactions energy: -695.403
where: short stacking energy: -420.190
Base-Backbone interact. energy: 1.874
local terms energy: -480.780901
where:
bonds (distance) C4'-P energy: -91.746
bonds (distance) P-C4' energy: -89.155
flat angles C4'-P-C4' energy: -99.504
flat angles P-C4'-P energy: -68.907
tors. eta vs tors. theta energy: -131.469
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: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -900.810110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.810110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.810110 (E_RNA)
where:
Base-Base interactions energy: -494.506
where: short stacking energy: -301.047
Base-Backbone interact. energy: 0.423
local terms energy: -406.726399
where:
bonds (distance) C4'-P energy: -76.378
bonds (distance) P-C4' energy: -97.359
flat angles C4'-P-C4' energy: -86.490
flat angles P-C4'-P energy: -63.490
tors. eta vs tors. theta energy: -83.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -819.251060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.251060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.251060 (E_RNA)
where:
Base-Base interactions energy: -474.713
where: short stacking energy: -269.725
Base-Backbone interact. energy: -1.124
local terms energy: -343.414105
where:
bonds (distance) C4'-P energy: -68.136
bonds (distance) P-C4' energy: -95.125
flat angles C4'-P-C4' energy: -87.588
flat angles P-C4'-P energy: -38.763
tors. eta vs tors. theta energy: -53.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -713.174483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.174483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.174483 (E_RNA)
where:
Base-Base interactions energy: -388.334
where: short stacking energy: -259.214
Base-Backbone interact. energy: 1.057
local terms energy: -325.897183
where:
bonds (distance) C4'-P energy: -69.200
bonds (distance) P-C4' energy: -91.830
flat angles C4'-P-C4' energy: -73.130
flat angles P-C4'-P energy: -36.295
tors. eta vs tors. theta energy: -55.442
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: 1
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -529.807371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.807371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.807371 (E_RNA)
where:
Base-Base interactions energy: -227.685
where: short stacking energy: -170.491
Base-Backbone interact. energy: -1.058
local terms energy: -301.064526
where:
bonds (distance) C4'-P energy: -88.420
bonds (distance) P-C4' energy: -86.133
flat angles C4'-P-C4' energy: -70.573
flat angles P-C4'-P energy: -38.509
tors. eta vs tors. theta energy: -17.430
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: 7, replica: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -512.242863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.242863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.242863 (E_RNA)
where:
Base-Base interactions energy: -195.358
where: short stacking energy: -126.878
Base-Backbone interact. energy: -1.441
local terms energy: -315.443894
where:
bonds (distance) C4'-P energy: -74.783
bonds (distance) P-C4' energy: -86.774
flat angles C4'-P-C4' energy: -84.292
flat angles P-C4'-P energy: -52.512
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -431.121322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.121322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.121322 (E_RNA)
where:
Base-Base interactions energy: -167.273
where: short stacking energy: -134.698
Base-Backbone interact. energy: 3.730
local terms energy: -267.578691
where:
bonds (distance) C4'-P energy: -77.484
bonds (distance) P-C4' energy: -83.189
flat angles C4'-P-C4' energy: -70.534
flat angles P-C4'-P energy: -32.308
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -386.166213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.166213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.166213 (E_RNA)
where:
Base-Base interactions energy: -125.924
where: short stacking energy: -117.997
Base-Backbone interact. energy: 2.306
local terms energy: -262.548492
where:
bonds (distance) C4'-P energy: -78.426
bonds (distance) P-C4' energy: -89.411
flat angles C4'-P-C4' energy: -67.655
flat angles P-C4'-P energy: -39.891
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: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -351.136630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.136630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.136630 (E_RNA)
where:
Base-Base interactions energy: -103.297
where: short stacking energy: -83.399
Base-Backbone interact. energy: 1.408
local terms energy: -249.247850
where:
bonds (distance) C4'-P energy: -74.765
bonds (distance) P-C4' energy: -72.755
flat angles C4'-P-C4' energy: -71.161
flat angles P-C4'-P energy: -39.657
tors. eta vs tors. theta energy: 9.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1252.125493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.125493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.125493 (E_RNA)
where:
Base-Base interactions energy: -766.764
where: short stacking energy: -449.219
Base-Backbone interact. energy: -1.138
local terms energy: -484.222885
where:
bonds (distance) C4'-P energy: -97.312
bonds (distance) P-C4' energy: -87.153
flat angles C4'-P-C4' energy: -99.257
flat angles P-C4'-P energy: -61.525
tors. eta vs tors. theta energy: -138.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1181.112754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.112754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.112754 (E_RNA)
where:
Base-Base interactions energy: -692.056
where: short stacking energy: -428.222
Base-Backbone interact. energy: 1.658
local terms energy: -490.715118
where:
bonds (distance) C4'-P energy: -88.290
bonds (distance) P-C4' energy: -93.990
flat angles C4'-P-C4' energy: -100.028
flat angles P-C4'-P energy: -70.584
tors. eta vs tors. theta energy: -137.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -910.825483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.825483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.825483 (E_RNA)
where:
Base-Base interactions energy: -490.476
where: short stacking energy: -298.276
Base-Backbone interact. energy: -1.079
local terms energy: -419.270272
where:
bonds (distance) C4'-P energy: -99.499
bonds (distance) P-C4' energy: -95.857
flat angles C4'-P-C4' energy: -85.815
flat angles P-C4'-P energy: -66.349
tors. eta vs tors. theta energy: -71.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -873.743662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.743662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.743662 (E_RNA)
where:
Base-Base interactions energy: -502.940
where: short stacking energy: -287.392
Base-Backbone interact. energy: -1.007
local terms energy: -369.796204
where:
bonds (distance) C4'-P energy: -85.351
bonds (distance) P-C4' energy: -82.314
flat angles C4'-P-C4' energy: -78.529
flat angles P-C4'-P energy: -49.951
tors. eta vs tors. theta energy: -73.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -645.015728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.015728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.015728 (E_RNA)
where:
Base-Base interactions energy: -319.934
where: short stacking energy: -197.849
Base-Backbone interact. energy: 0.080
local terms energy: -325.161770
where:
bonds (distance) C4'-P energy: -74.688
bonds (distance) P-C4' energy: -82.142
flat angles C4'-P-C4' energy: -83.819
flat angles P-C4'-P energy: -59.604
tors. eta vs tors. theta energy: -24.910
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: 6, replica: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -541.966395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.966395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.966395 (E_RNA)
where:
Base-Base interactions energy: -212.398
where: short stacking energy: -164.657
Base-Backbone interact. energy: -1.021
local terms energy: -328.547194
where:
bonds (distance) C4'-P energy: -88.735
bonds (distance) P-C4' energy: -82.533
flat angles C4'-P-C4' energy: -92.672
flat angles P-C4'-P energy: -50.041
tors. eta vs tors. theta energy: -14.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -520.278822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.278822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.278822 (E_RNA)
where:
Base-Base interactions energy: -224.658
where: short stacking energy: -152.948
Base-Backbone interact. energy: 0.666
local terms energy: -296.286437
where:
bonds (distance) C4'-P energy: -74.827
bonds (distance) P-C4' energy: -96.175
flat angles C4'-P-C4' energy: -67.733
flat angles P-C4'-P energy: -38.354
tors. eta vs tors. theta energy: -19.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -405.666523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.666523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.666523 (E_RNA)
where:
Base-Base interactions energy: -141.334
where: short stacking energy: -116.822
Base-Backbone interact. energy: -0.529
local terms energy: -263.803138
where:
bonds (distance) C4'-P energy: -77.670
bonds (distance) P-C4' energy: -80.982
flat angles C4'-P-C4' energy: -60.265
flat angles P-C4'-P energy: -47.504
tors. eta vs tors. theta energy: 2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -407.710275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.710275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.710275 (E_RNA)
where:
Base-Base interactions energy: -128.658
where: short stacking energy: -102.752
Base-Backbone interact. energy: -1.325
local terms energy: -277.727991
where:
bonds (distance) C4'-P energy: -76.960
bonds (distance) P-C4' energy: -90.226
flat angles C4'-P-C4' energy: -86.055
flat angles P-C4'-P energy: -38.249
tors. eta vs tors. theta energy: 13.762
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: 461
Temperature: 1.350000
Total energy: -347.084528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.084528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.084528 (E_RNA)
where:
Base-Base interactions energy: -99.391
where: short stacking energy: -91.168
Base-Backbone interact. energy: 1.596
local terms energy: -249.288902
where:
bonds (distance) C4'-P energy: -67.636
bonds (distance) P-C4' energy: -82.391
flat angles C4'-P-C4' energy: -72.344
flat angles P-C4'-P energy: -42.982
tors. eta vs tors. theta energy: 16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1261.521061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.521061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.521061 (E_RNA)
where:
Base-Base interactions energy: -753.908
where: short stacking energy: -432.807
Base-Backbone interact. energy: 0.832
local terms energy: -508.444963
where:
bonds (distance) C4'-P energy: -88.760
bonds (distance) P-C4' energy: -102.325
flat angles C4'-P-C4' energy: -107.528
flat angles P-C4'-P energy: -70.228
tors. eta vs tors. theta energy: -139.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1159.519496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.519496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.519496 (E_RNA)
where:
Base-Base interactions energy: -673.292
where: short stacking energy: -400.721
Base-Backbone interact. energy: -0.822
local terms energy: -485.405855
where:
bonds (distance) C4'-P energy: -90.912
bonds (distance) P-C4' energy: -97.765
flat angles C4'-P-C4' energy: -102.480
flat angles P-C4'-P energy: -69.474
tors. eta vs tors. theta energy: -124.775
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: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -905.214637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.214637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.214637 (E_RNA)
where:
Base-Base interactions energy: -494.309
where: short stacking energy: -301.932
Base-Backbone interact. energy: -0.429
local terms energy: -410.476699
where:
bonds (distance) C4'-P energy: -88.829
bonds (distance) P-C4' energy: -95.400
flat angles C4'-P-C4' energy: -94.620
flat angles P-C4'-P energy: -49.877
tors. eta vs tors. theta energy: -81.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -832.377872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.377872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.377872 (E_RNA)
where:
Base-Base interactions energy: -447.310
where: short stacking energy: -257.418
Base-Backbone interact. energy: -0.194
local terms energy: -384.874391
where:
bonds (distance) C4'-P energy: -91.860
bonds (distance) P-C4' energy: -96.843
flat angles C4'-P-C4' energy: -94.163
flat angles P-C4'-P energy: -55.229
tors. eta vs tors. theta energy: -46.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -701.338288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.338288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.338288 (E_RNA)
where:
Base-Base interactions energy: -340.492
where: short stacking energy: -238.480
Base-Backbone interact. energy: -3.138
local terms energy: -357.708382
where:
bonds (distance) C4'-P energy: -91.767
bonds (distance) P-C4' energy: -87.326
flat angles C4'-P-C4' energy: -86.347
flat angles P-C4'-P energy: -49.180
tors. eta vs tors. theta energy: -43.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -514.923430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.923430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.923430 (E_RNA)
where:
Base-Base interactions energy: -202.547
where: short stacking energy: -163.720
Base-Backbone interact. energy: -0.488
local terms energy: -311.889140
where:
bonds (distance) C4'-P energy: -87.414
bonds (distance) P-C4' energy: -73.982
flat angles C4'-P-C4' energy: -75.889
flat angles P-C4'-P energy: -55.783
tors. eta vs tors. theta energy: -18.822
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: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -505.981837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.981837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.981837 (E_RNA)
where:
Base-Base interactions energy: -199.987
where: short stacking energy: -154.012
Base-Backbone interact. energy: -0.426
local terms energy: -305.568205
where:
bonds (distance) C4'-P energy: -77.354
bonds (distance) P-C4' energy: -94.835
flat angles C4'-P-C4' energy: -68.031
flat angles P-C4'-P energy: -52.641
tors. eta vs tors. theta energy: -12.708
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: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -415.794712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.794712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.794712 (E_RNA)
where:
Base-Base interactions energy: -125.949
where: short stacking energy: -112.643
Base-Backbone interact. energy: 0.880
local terms energy: -290.725395
where:
bonds (distance) C4'-P energy: -72.076
bonds (distance) P-C4' energy: -82.892
flat angles C4'-P-C4' energy: -88.931
flat angles P-C4'-P energy: -55.768
tors. eta vs tors. theta energy: 8.941
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: 9
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -373.961040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.961040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.961040 (E_RNA)
where:
Base-Base interactions energy: -126.559
where: short stacking energy: -116.644
Base-Backbone interact. energy: 4.174
local terms energy: -251.575724
where:
bonds (distance) C4'-P energy: -74.976
bonds (distance) P-C4' energy: -75.749
flat angles C4'-P-C4' energy: -60.576
flat angles P-C4'-P energy: -46.421
tors. eta vs tors. theta energy: 6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -378.896229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.896229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.896229 (E_RNA)
where:
Base-Base interactions energy: -123.536
where: short stacking energy: -115.180
Base-Backbone interact. energy: 0.760
local terms energy: -256.119950
where:
bonds (distance) C4'-P energy: -90.903
bonds (distance) P-C4' energy: -83.729
flat angles C4'-P-C4' energy: -64.499
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1237.020221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.020221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.020221 (E_RNA)
where:
Base-Base interactions energy: -751.278
where: short stacking energy: -464.535
Base-Backbone interact. energy: 0.415
local terms energy: -486.157858
where:
bonds (distance) C4'-P energy: -87.034
bonds (distance) P-C4' energy: -90.325
flat angles C4'-P-C4' energy: -96.433
flat angles P-C4'-P energy: -70.911
tors. eta vs tors. theta energy: -141.455
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: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1164.789317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.789317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.789317 (E_RNA)
where:
Base-Base interactions energy: -703.529
where: short stacking energy: -445.917
Base-Backbone interact. energy: -0.958
local terms energy: -460.301976
where:
bonds (distance) C4'-P energy: -93.152
bonds (distance) P-C4' energy: -79.918
flat angles C4'-P-C4' energy: -98.833
flat angles P-C4'-P energy: -63.304
tors. eta vs tors. theta energy: -125.095
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: 10
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -927.719629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.719629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.719629 (E_RNA)
where:
Base-Base interactions energy: -516.559
where: short stacking energy: -336.646
Base-Backbone interact. energy: 0.626
local terms energy: -411.785879
where:
bonds (distance) C4'-P energy: -71.818
bonds (distance) P-C4' energy: -82.639
flat angles C4'-P-C4' energy: -95.887
flat angles P-C4'-P energy: -59.170
tors. eta vs tors. theta energy: -102.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -878.258323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.258323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.258323 (E_RNA)
where:
Base-Base interactions energy: -476.008
where: short stacking energy: -296.027
Base-Backbone interact. energy: 0.783
local terms energy: -403.033942
where:
bonds (distance) C4'-P energy: -98.541
bonds (distance) P-C4' energy: -96.009
flat angles C4'-P-C4' energy: -80.362
flat angles P-C4'-P energy: -45.994
tors. eta vs tors. theta energy: -82.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -700.712982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.712982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.712982 (E_RNA)
where:
Base-Base interactions energy: -329.994
where: short stacking energy: -238.753
Base-Backbone interact. energy: -1.761
local terms energy: -368.957775
where:
bonds (distance) C4'-P energy: -80.388
bonds (distance) P-C4' energy: -83.002
flat angles C4'-P-C4' energy: -83.906
flat angles P-C4'-P energy: -73.300
tors. eta vs tors. theta energy: -48.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -562.473112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.473112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.473112 (E_RNA)
where:
Base-Base interactions energy: -238.399
where: short stacking energy: -163.776
Base-Backbone interact. energy: -0.514
local terms energy: -323.560478
where:
bonds (distance) C4'-P energy: -88.991
bonds (distance) P-C4' energy: -74.370
flat angles C4'-P-C4' energy: -83.743
flat angles P-C4'-P energy: -63.761
tors. eta vs tors. theta energy: -12.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -453.674542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.674542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.674542 (E_RNA)
where:
Base-Base interactions energy: -178.046
where: short stacking energy: -150.990
Base-Backbone interact. energy: 1.134
local terms energy: -276.762857
where:
bonds (distance) C4'-P energy: -65.881
bonds (distance) P-C4' energy: -91.444
flat angles C4'-P-C4' energy: -76.879
flat angles P-C4'-P energy: -38.762
tors. eta vs tors. theta energy: -3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -399.360780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.360780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.360780 (E_RNA)
where:
Base-Base interactions energy: -155.860
where: short stacking energy: -117.098
Base-Backbone interact. energy: -0.265
local terms energy: -243.235935
where:
bonds (distance) C4'-P energy: -69.010
bonds (distance) P-C4' energy: -76.978
flat angles C4'-P-C4' energy: -59.133
flat angles P-C4'-P energy: -53.760
tors. eta vs tors. theta energy: 15.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -387.229711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.229711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.229711 (E_RNA)
where:
Base-Base interactions energy: -145.126
where: short stacking energy: -112.003
Base-Backbone interact. energy: 0.826
local terms energy: -242.929071
where:
bonds (distance) C4'-P energy: -79.091
bonds (distance) P-C4' energy: -66.983
flat angles C4'-P-C4' energy: -59.906
flat angles P-C4'-P energy: -49.736
tors. eta vs tors. theta energy: 12.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -369.654509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.654509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.654509 (E_RNA)
where:
Base-Base interactions energy: -129.766
where: short stacking energy: -112.374
Base-Backbone interact. energy: 5.986
local terms energy: -245.874274
where:
bonds (distance) C4'-P energy: -74.414
bonds (distance) P-C4' energy: -85.979
flat angles C4'-P-C4' energy: -57.359
flat angles P-C4'-P energy: -43.030
tors. eta vs tors. theta energy: 14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1252.659373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.659373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.659373 (E_RNA)
where:
Base-Base interactions energy: -743.752
where: short stacking energy: -429.829
Base-Backbone interact. energy: -0.942
local terms energy: -507.964893
where:
bonds (distance) C4'-P energy: -83.932
bonds (distance) P-C4' energy: -99.573
flat angles C4'-P-C4' energy: -118.279
flat angles P-C4'-P energy: -66.618
tors. eta vs tors. theta energy: -139.563
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: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1150.611355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.611355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.611355 (E_RNA)
where:
Base-Base interactions energy: -658.583
where: short stacking energy: -396.725
Base-Backbone interact. energy: 1.739
local terms energy: -493.767824
where:
bonds (distance) C4'-P energy: -95.895
bonds (distance) P-C4' energy: -97.699
flat angles C4'-P-C4' energy: -96.359
flat angles P-C4'-P energy: -81.101
tors. eta vs tors. theta energy: -122.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -884.996932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.996932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.996932 (E_RNA)
where:
Base-Base interactions energy: -491.286
where: short stacking energy: -332.341
Base-Backbone interact. energy: -0.682
local terms energy: -393.029042
where:
bonds (distance) C4'-P energy: -90.036
bonds (distance) P-C4' energy: -90.977
flat angles C4'-P-C4' energy: -81.910
flat angles P-C4'-P energy: -51.435
tors. eta vs tors. theta energy: -78.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -847.702199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.702199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.702199 (E_RNA)
where:
Base-Base interactions energy: -464.358
where: short stacking energy: -269.694
Base-Backbone interact. energy: -0.912
local terms energy: -382.432413
where:
bonds (distance) C4'-P energy: -92.926
bonds (distance) P-C4' energy: -89.521
flat angles C4'-P-C4' energy: -73.696
flat angles P-C4'-P energy: -61.068
tors. eta vs tors. theta energy: -65.222
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: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -657.160093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.160093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.160093 (E_RNA)
where:
Base-Base interactions energy: -332.565
where: short stacking energy: -225.189
Base-Backbone interact. energy: -0.356
local terms energy: -324.238905
where:
bonds (distance) C4'-P energy: -77.182
bonds (distance) P-C4' energy: -79.250
flat angles C4'-P-C4' energy: -82.587
flat angles P-C4'-P energy: -46.960
tors. eta vs tors. theta energy: -38.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -565.640216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.640216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.640216 (E_RNA)
where:
Base-Base interactions energy: -240.572
where: short stacking energy: -184.862
Base-Backbone interact. energy: 0.809
local terms energy: -325.876621
where:
bonds (distance) C4'-P energy: -89.594
bonds (distance) P-C4' energy: -92.596
flat angles C4'-P-C4' energy: -74.363
flat angles P-C4'-P energy: -56.764
tors. eta vs tors. theta energy: -12.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -480.739261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.739261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.739261 (E_RNA)
where:
Base-Base interactions energy: -180.617
where: short stacking energy: -146.147
Base-Backbone interact. energy: -0.606
local terms energy: -299.516270
where:
bonds (distance) C4'-P energy: -86.571
bonds (distance) P-C4' energy: -79.725
flat angles C4'-P-C4' energy: -78.718
flat angles P-C4'-P energy: -50.998
tors. eta vs tors. theta energy: -3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -423.633941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.633941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.633941 (E_RNA)
where:
Base-Base interactions energy: -140.062
where: short stacking energy: -119.387
Base-Backbone interact. energy: -0.742
local terms energy: -282.829508
where:
bonds (distance) C4'-P energy: -88.231
bonds (distance) P-C4' energy: -94.449
flat angles C4'-P-C4' energy: -60.028
flat angles P-C4'-P energy: -43.082
tors. eta vs tors. theta energy: 2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -389.370989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.370989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.370989 (E_RNA)
where:
Base-Base interactions energy: -155.897
where: short stacking energy: -119.956
Base-Backbone interact. energy: 1.646
local terms energy: -235.120054
where:
bonds (distance) C4'-P energy: -67.823
bonds (distance) P-C4' energy: -75.174
flat angles C4'-P-C4' energy: -55.373
flat angles P-C4'-P energy: -51.589
tors. eta vs tors. theta energy: 14.838
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: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -348.553567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.553567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.553567 (E_RNA)
where:
Base-Base interactions energy: -127.123
where: short stacking energy: -113.274
Base-Backbone interact. energy: 4.118
local terms energy: -225.548559
where:
bonds (distance) C4'-P energy: -72.795
bonds (distance) P-C4' energy: -63.337
flat angles C4'-P-C4' energy: -69.964
flat angles P-C4'-P energy: -31.875
tors. eta vs tors. theta energy: 12.423
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: 1, replica: 6
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1276.798258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.798258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.798258 (E_RNA)
where:
Base-Base interactions energy: -775.645
where: short stacking energy: -457.082
Base-Backbone interact. energy: 1.715
local terms energy: -502.869062
where:
bonds (distance) C4'-P energy: -96.956
bonds (distance) P-C4' energy: -92.009
flat angles C4'-P-C4' energy: -101.697
flat angles P-C4'-P energy: -72.636
tors. eta vs tors. theta energy: -139.571
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: 465
Temperature: 0.950000
Total energy: -1163.808009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.808009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.808009 (E_RNA)
where:
Base-Base interactions energy: -689.624
where: short stacking energy: -423.463
Base-Backbone interact. energy: -1.061
local terms energy: -473.123060
where:
bonds (distance) C4'-P energy: -92.027
bonds (distance) P-C4' energy: -89.182
flat angles C4'-P-C4' energy: -94.659
flat angles P-C4'-P energy: -71.157
tors. eta vs tors. theta energy: -126.097
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: 10
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -969.889407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.889407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.889407 (E_RNA)
where:
Base-Base interactions energy: -526.108
where: short stacking energy: -320.530
Base-Backbone interact. energy: -2.311
local terms energy: -441.470335
where:
bonds (distance) C4'-P energy: -84.888
bonds (distance) P-C4' energy: -88.696
flat angles C4'-P-C4' energy: -98.006
flat angles P-C4'-P energy: -66.931
tors. eta vs tors. theta energy: -102.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -854.142324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.142324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.142324 (E_RNA)
where:
Base-Base interactions energy: -451.010
where: short stacking energy: -286.405
Base-Backbone interact. energy: -2.469
local terms energy: -400.663381
where:
bonds (distance) C4'-P energy: -89.768
bonds (distance) P-C4' energy: -88.250
flat angles C4'-P-C4' energy: -92.700
flat angles P-C4'-P energy: -63.064
tors. eta vs tors. theta energy: -66.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -693.367448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.367448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.367448 (E_RNA)
where:
Base-Base interactions energy: -350.873
where: short stacking energy: -241.992
Base-Backbone interact. energy: -0.996
local terms energy: -341.498427
where:
bonds (distance) C4'-P energy: -83.927
bonds (distance) P-C4' energy: -79.179
flat angles C4'-P-C4' energy: -80.031
flat angles P-C4'-P energy: -51.316
tors. eta vs tors. theta energy: -47.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -553.142961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.142961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.142961 (E_RNA)
where:
Base-Base interactions energy: -234.535
where: short stacking energy: -174.072
Base-Backbone interact. energy: -1.485
local terms energy: -317.122322
where:
bonds (distance) C4'-P energy: -81.865
bonds (distance) P-C4' energy: -91.693
flat angles C4'-P-C4' energy: -72.799
flat angles P-C4'-P energy: -39.139
tors. eta vs tors. theta energy: -31.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -446.251751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.251751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.251751 (E_RNA)
where:
Base-Base interactions energy: -167.362
where: short stacking energy: -153.238
Base-Backbone interact. energy: 1.135
local terms energy: -280.024195
where:
bonds (distance) C4'-P energy: -71.465
bonds (distance) P-C4' energy: -70.790
flat angles C4'-P-C4' energy: -71.772
flat angles P-C4'-P energy: -48.806
tors. eta vs tors. theta energy: -17.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -418.357862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.357862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.357862 (E_RNA)
where:
Base-Base interactions energy: -138.284
where: short stacking energy: -131.567
Base-Backbone interact. energy: -1.615
local terms energy: -278.458326
where:
bonds (distance) C4'-P energy: -69.726
bonds (distance) P-C4' energy: -85.402
flat angles C4'-P-C4' energy: -72.651
flat angles P-C4'-P energy: -42.191
tors. eta vs tors. theta energy: -8.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -391.932957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.932957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.932957 (E_RNA)
where:
Base-Base interactions energy: -149.645
where: short stacking energy: -108.911
Base-Backbone interact. energy: -0.833
local terms energy: -241.455027
where:
bonds (distance) C4'-P energy: -86.679
bonds (distance) P-C4' energy: -64.157
flat angles C4'-P-C4' energy: -48.792
flat angles P-C4'-P energy: -44.803
tors. eta vs tors. theta energy: 2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -348.338347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.338347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.338347 (E_RNA)
where:
Base-Base interactions energy: -99.567
where: short stacking energy: -86.051
Base-Backbone interact. energy: -0.921
local terms energy: -247.850518
where:
bonds (distance) C4'-P energy: -75.879
bonds (distance) P-C4' energy: -72.144
flat angles C4'-P-C4' energy: -70.843
flat angles P-C4'-P energy: -44.374
tors. eta vs tors. theta energy: 15.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1295.832973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.832973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.832973 (E_RNA)
where:
Base-Base interactions energy: -786.466
where: short stacking energy: -457.676
Base-Backbone interact. energy: -0.452
local terms energy: -508.915220
where:
bonds (distance) C4'-P energy: -91.423
bonds (distance) P-C4' energy: -93.804
flat angles C4'-P-C4' energy: -101.116
flat angles P-C4'-P energy: -77.267
tors. eta vs tors. theta energy: -145.305
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: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1163.704653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.704653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.704653 (E_RNA)
where:
Base-Base interactions energy: -684.722
where: short stacking energy: -411.994
Base-Backbone interact. energy: -2.017
local terms energy: -476.966437
where:
bonds (distance) C4'-P energy: -86.938
bonds (distance) P-C4' energy: -89.113
flat angles C4'-P-C4' energy: -100.477
flat angles P-C4'-P energy: -69.338
tors. eta vs tors. theta energy: -131.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -953.997392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.997392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.997392 (E_RNA)
where:
Base-Base interactions energy: -537.251
where: short stacking energy: -338.659
Base-Backbone interact. energy: -1.107
local terms energy: -415.639412
where:
bonds (distance) C4'-P energy: -96.361
bonds (distance) P-C4' energy: -85.340
flat angles C4'-P-C4' energy: -86.385
flat angles P-C4'-P energy: -58.425
tors. eta vs tors. theta energy: -89.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -873.590571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.590571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.590571 (E_RNA)
where:
Base-Base interactions energy: -502.280
where: short stacking energy: -273.036
Base-Backbone interact. energy: -2.011
local terms energy: -369.299502
where:
bonds (distance) C4'-P energy: -80.773
bonds (distance) P-C4' energy: -86.478
flat angles C4'-P-C4' energy: -75.660
flat angles P-C4'-P energy: -61.962
tors. eta vs tors. theta energy: -64.426
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: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -687.946607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.946607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.946607 (E_RNA)
where:
Base-Base interactions energy: -338.770
where: short stacking energy: -245.082
Base-Backbone interact. energy: 0.409
local terms energy: -349.585577
where:
bonds (distance) C4'-P energy: -83.037
bonds (distance) P-C4' energy: -85.564
flat angles C4'-P-C4' energy: -83.294
flat angles P-C4'-P energy: -52.103
tors. eta vs tors. theta energy: -45.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -523.657635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.657635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.657635 (E_RNA)
where:
Base-Base interactions energy: -228.394
where: short stacking energy: -146.666
Base-Backbone interact. energy: -1.985
local terms energy: -293.279023
where:
bonds (distance) C4'-P energy: -78.699
bonds (distance) P-C4' energy: -87.159
flat angles C4'-P-C4' energy: -70.190
flat angles P-C4'-P energy: -45.593
tors. eta vs tors. theta energy: -11.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -428.853216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.853216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.853216 (E_RNA)
where:
Base-Base interactions energy: -147.846
where: short stacking energy: -134.172
Base-Backbone interact. energy: -1.380
local terms energy: -279.627129
where:
bonds (distance) C4'-P energy: -78.572
bonds (distance) P-C4' energy: -92.656
flat angles C4'-P-C4' energy: -73.029
flat angles P-C4'-P energy: -41.460
tors. eta vs tors. theta energy: 6.089
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: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -410.434071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.434071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.434071 (E_RNA)
where:
Base-Base interactions energy: -166.814
where: short stacking energy: -113.092
Base-Backbone interact. energy: 0.915
local terms energy: -244.534677
where:
bonds (distance) C4'-P energy: -80.714
bonds (distance) P-C4' energy: -75.229
flat angles C4'-P-C4' energy: -71.098
flat angles P-C4'-P energy: -35.621
tors. eta vs tors. theta energy: 18.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -408.204695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.204695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.204695 (E_RNA)
where:
Base-Base interactions energy: -141.655
where: short stacking energy: -132.951
Base-Backbone interact. energy: -0.163
local terms energy: -266.387304
where:
bonds (distance) C4'-P energy: -83.089
bonds (distance) P-C4' energy: -66.374
flat angles C4'-P-C4' energy: -79.387
flat angles P-C4'-P energy: -42.774
tors. eta vs tors. theta energy: 5.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -369.444005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.444005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.444005 (E_RNA)
where:
Base-Base interactions energy: -131.609
where: short stacking energy: -99.399
Base-Backbone interact. energy: -2.006
local terms energy: -235.829394
where:
bonds (distance) C4'-P energy: -67.494
bonds (distance) P-C4' energy: -75.647
flat angles C4'-P-C4' energy: -87.263
flat angles P-C4'-P energy: -28.623
tors. eta vs tors. theta energy: 23.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1267.098395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.098395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.098395 (E_RNA)
where:
Base-Base interactions energy: -759.865
where: short stacking energy: -415.461
Base-Backbone interact. energy: -1.055
local terms energy: -506.178619
where:
bonds (distance) C4'-P energy: -94.942
bonds (distance) P-C4' energy: -102.944
flat angles C4'-P-C4' energy: -109.353
flat angles P-C4'-P energy: -65.247
tors. eta vs tors. theta energy: -133.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1155.022665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.022665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.022665 (E_RNA)
where:
Base-Base interactions energy: -697.151
where: short stacking energy: -436.295
Base-Backbone interact. energy: -0.458
local terms energy: -457.413667
where:
bonds (distance) C4'-P energy: -81.197
bonds (distance) P-C4' energy: -88.931
flat angles C4'-P-C4' energy: -90.353
flat angles P-C4'-P energy: -63.062
tors. eta vs tors. theta energy: -133.871
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: 10
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -972.279328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.279328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.279328 (E_RNA)
where:
Base-Base interactions energy: -576.469
where: short stacking energy: -355.202
Base-Backbone interact. energy: 1.976
local terms energy: -397.785623
where:
bonds (distance) C4'-P energy: -75.837
bonds (distance) P-C4' energy: -72.917
flat angles C4'-P-C4' energy: -93.024
flat angles P-C4'-P energy: -57.844
tors. eta vs tors. theta energy: -98.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -952.813183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.813183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.813183 (E_RNA)
where:
Base-Base interactions energy: -543.353
where: short stacking energy: -324.104
Base-Backbone interact. energy: -2.179
local terms energy: -407.280519
where:
bonds (distance) C4'-P energy: -78.084
bonds (distance) P-C4' energy: -92.767
flat angles C4'-P-C4' energy: -100.513
flat angles P-C4'-P energy: -52.737
tors. eta vs tors. theta energy: -83.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -658.965669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.965669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.965669 (E_RNA)
where:
Base-Base interactions energy: -323.599
where: short stacking energy: -195.713
Base-Backbone interact. energy: -0.621
local terms energy: -334.745639
where:
bonds (distance) C4'-P energy: -80.161
bonds (distance) P-C4' energy: -78.923
flat angles C4'-P-C4' energy: -79.577
flat angles P-C4'-P energy: -57.248
tors. eta vs tors. theta energy: -38.835
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: 4
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -528.668119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.668119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.668119 (E_RNA)
where:
Base-Base interactions energy: -194.663
where: short stacking energy: -144.660
Base-Backbone interact. energy: 0.086
local terms energy: -334.090213
where:
bonds (distance) C4'-P energy: -93.627
bonds (distance) P-C4' energy: -89.519
flat angles C4'-P-C4' energy: -78.143
flat angles P-C4'-P energy: -55.182
tors. eta vs tors. theta energy: -17.619
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: 1
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -458.325508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.325508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.325508 (E_RNA)
where:
Base-Base interactions energy: -181.287
where: short stacking energy: -164.630
Base-Backbone interact. energy: -1.260
local terms energy: -275.777693
where:
bonds (distance) C4'-P energy: -77.980
bonds (distance) P-C4' energy: -78.225
flat angles C4'-P-C4' energy: -71.374
flat angles P-C4'-P energy: -42.889
tors. eta vs tors. theta energy: -5.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -393.958157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.958157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.958157 (E_RNA)
where:
Base-Base interactions energy: -125.824
where: short stacking energy: -97.540
Base-Backbone interact. energy: 2.433
local terms energy: -270.568019
where:
bonds (distance) C4'-P energy: -87.444
bonds (distance) P-C4' energy: -80.198
flat angles C4'-P-C4' energy: -72.604
flat angles P-C4'-P energy: -43.636
tors. eta vs tors. theta energy: 13.314
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: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -414.090373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.090373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.090373 (E_RNA)
where:
Base-Base interactions energy: -160.232
where: short stacking energy: -138.010
Base-Backbone interact. energy: 1.148
local terms energy: -255.006814
where:
bonds (distance) C4'-P energy: -80.099
bonds (distance) P-C4' energy: -72.194
flat angles C4'-P-C4' energy: -63.679
flat angles P-C4'-P energy: -49.154
tors. eta vs tors. theta energy: 10.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -370.709331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.709331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.709331 (E_RNA)
where:
Base-Base interactions energy: -138.831
where: short stacking energy: -124.308
Base-Backbone interact. energy: 1.122
local terms energy: -232.999554
where:
bonds (distance) C4'-P energy: -66.409
bonds (distance) P-C4' energy: -71.168
flat angles C4'-P-C4' energy: -75.707
flat angles P-C4'-P energy: -28.905
tors. eta vs tors. theta energy: 9.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1277.354467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.354467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.354467 (E_RNA)
where:
Base-Base interactions energy: -778.047
where: short stacking energy: -433.750
Base-Backbone interact. energy: 0.029
local terms energy: -499.336340
where:
bonds (distance) C4'-P energy: -97.721
bonds (distance) P-C4' energy: -92.078
flat angles C4'-P-C4' energy: -104.894
flat angles P-C4'-P energy: -68.298
tors. eta vs tors. theta energy: -136.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1161.296904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.296904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.296904 (E_RNA)
where:
Base-Base interactions energy: -684.077
where: short stacking energy: -419.994
Base-Backbone interact. energy: -0.135
local terms energy: -477.085339
where:
bonds (distance) C4'-P energy: -85.953
bonds (distance) P-C4' energy: -96.555
flat angles C4'-P-C4' energy: -100.086
flat angles P-C4'-P energy: -68.471
tors. eta vs tors. theta energy: -126.020
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: 3, replica: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -950.420035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.420035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.420035 (E_RNA)
where:
Base-Base interactions energy: -552.008
where: short stacking energy: -363.641
Base-Backbone interact. energy: 0.516
local terms energy: -398.927275
where:
bonds (distance) C4'-P energy: -73.389
bonds (distance) P-C4' energy: -78.565
flat angles C4'-P-C4' energy: -87.763
flat angles P-C4'-P energy: -59.970
tors. eta vs tors. theta energy: -99.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -828.870244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.870244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.870244 (E_RNA)
where:
Base-Base interactions energy: -467.048
where: short stacking energy: -250.188
Base-Backbone interact. energy: -1.257
local terms energy: -360.565626
where:
bonds (distance) C4'-P energy: -89.311
bonds (distance) P-C4' energy: -79.659
flat angles C4'-P-C4' energy: -88.484
flat angles P-C4'-P energy: -46.791
tors. eta vs tors. theta energy: -56.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -729.840655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.840655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.840655 (E_RNA)
where:
Base-Base interactions energy: -367.002
where: short stacking energy: -246.594
Base-Backbone interact. energy: 0.005
local terms energy: -362.844218
where:
bonds (distance) C4'-P energy: -82.290
bonds (distance) P-C4' energy: -78.538
flat angles C4'-P-C4' energy: -86.742
flat angles P-C4'-P energy: -63.229
tors. eta vs tors. theta energy: -52.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -531.856117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.856117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.856117 (E_RNA)
where:
Base-Base interactions energy: -210.913
where: short stacking energy: -164.762
Base-Backbone interact. energy: -0.814
local terms energy: -320.129563
where:
bonds (distance) C4'-P energy: -84.761
bonds (distance) P-C4' energy: -83.757
flat angles C4'-P-C4' energy: -66.902
flat angles P-C4'-P energy: -60.154
tors. eta vs tors. theta energy: -24.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -444.072738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.072738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.072738 (E_RNA)
where:
Base-Base interactions energy: -172.725
where: short stacking energy: -150.185
Base-Backbone interact. energy: 0.154
local terms energy: -271.501886
where:
bonds (distance) C4'-P energy: -84.954
bonds (distance) P-C4' energy: -68.050
flat angles C4'-P-C4' energy: -65.747
flat angles P-C4'-P energy: -35.615
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -388.456355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.456355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.456355 (E_RNA)
where:
Base-Base interactions energy: -140.350
where: short stacking energy: -115.168
Base-Backbone interact. energy: -1.759
local terms energy: -246.346897
where:
bonds (distance) C4'-P energy: -58.934
bonds (distance) P-C4' energy: -94.185
flat angles C4'-P-C4' energy: -68.015
flat angles P-C4'-P energy: -36.574
tors. eta vs tors. theta energy: 11.361
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: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -394.940531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.940531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.940531 (E_RNA)
where:
Base-Base interactions energy: -137.380
where: short stacking energy: -128.587
Base-Backbone interact. energy: 4.255
local terms energy: -261.815745
where:
bonds (distance) C4'-P energy: -73.731
bonds (distance) P-C4' energy: -76.850
flat angles C4'-P-C4' energy: -63.136
flat angles P-C4'-P energy: -53.227
tors. eta vs tors. theta energy: 5.129
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: 468
Temperature: 1.350000
Total energy: -345.771378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.771378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.771378 (E_RNA)
where:
Base-Base interactions energy: -104.383
where: short stacking energy: -90.763
Base-Backbone interact. energy: 11.556
local terms energy: -252.944895
where:
bonds (distance) C4'-P energy: -74.766
bonds (distance) P-C4' energy: -82.032
flat angles C4'-P-C4' energy: -68.382
flat angles P-C4'-P energy: -46.357
tors. eta vs tors. theta energy: 18.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1263.200948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.200948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.200948 (E_RNA)
where:
Base-Base interactions energy: -768.125
where: short stacking energy: -434.800
Base-Backbone interact. energy: -0.968
local terms energy: -494.107811
where:
bonds (distance) C4'-P energy: -98.201
bonds (distance) P-C4' energy: -97.431
flat angles C4'-P-C4' energy: -100.264
flat angles P-C4'-P energy: -68.119
tors. eta vs tors. theta energy: -130.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1154.290378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.290378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.290378 (E_RNA)
where:
Base-Base interactions energy: -661.337
where: short stacking energy: -397.082
Base-Backbone interact. energy: 0.497
local terms energy: -493.450085
where:
bonds (distance) C4'-P energy: -92.194
bonds (distance) P-C4' energy: -100.882
flat angles C4'-P-C4' energy: -107.969
flat angles P-C4'-P energy: -63.660
tors. eta vs tors. theta energy: -128.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -973.071681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.071681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.071681 (E_RNA)
where:
Base-Base interactions energy: -545.464
where: short stacking energy: -337.186
Base-Backbone interact. energy: -1.628
local terms energy: -425.979861
where:
bonds (distance) C4'-P energy: -72.293
bonds (distance) P-C4' energy: -99.174
flat angles C4'-P-C4' energy: -91.203
flat angles P-C4'-P energy: -59.880
tors. eta vs tors. theta energy: -103.428
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: 469
Temperature: 1.050000
Total energy: -844.543662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.543662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.543662 (E_RNA)
where:
Base-Base interactions energy: -455.107
where: short stacking energy: -288.097
Base-Backbone interact. energy: -1.577
local terms energy: -387.859972
where:
bonds (distance) C4'-P energy: -82.345
bonds (distance) P-C4' energy: -88.393
flat angles C4'-P-C4' energy: -93.205
flat angles P-C4'-P energy: -53.538
tors. eta vs tors. theta energy: -70.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -717.291869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.291869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.291869 (E_RNA)
where:
Base-Base interactions energy: -367.241
where: short stacking energy: -237.669
Base-Backbone interact. energy: 0.816
local terms energy: -350.866805
where:
bonds (distance) C4'-P energy: -79.559
bonds (distance) P-C4' energy: -86.758
flat angles C4'-P-C4' energy: -90.683
flat angles P-C4'-P energy: -50.326
tors. eta vs tors. theta energy: -43.541
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: 4
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -585.191127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.191127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.191127 (E_RNA)
where:
Base-Base interactions energy: -271.289
where: short stacking energy: -171.856
Base-Backbone interact. energy: -0.448
local terms energy: -313.453787
where:
bonds (distance) C4'-P energy: -74.101
bonds (distance) P-C4' energy: -93.831
flat angles C4'-P-C4' energy: -79.540
flat angles P-C4'-P energy: -43.432
tors. eta vs tors. theta energy: -22.550
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: 1
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -446.110804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.110804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.110804 (E_RNA)
where:
Base-Base interactions energy: -175.621
where: short stacking energy: -134.243
Base-Backbone interact. energy: 1.062
local terms energy: -271.552002
where:
bonds (distance) C4'-P energy: -70.845
bonds (distance) P-C4' energy: -76.910
flat angles C4'-P-C4' energy: -75.551
flat angles P-C4'-P energy: -58.267
tors. eta vs tors. theta energy: 10.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -414.428795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.428795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.428795 (E_RNA)
where:
Base-Base interactions energy: -148.670
where: short stacking energy: -128.351
Base-Backbone interact. energy: 0.234
local terms energy: -265.992423
where:
bonds (distance) C4'-P energy: -65.993
bonds (distance) P-C4' energy: -82.282
flat angles C4'-P-C4' energy: -71.070
flat angles P-C4'-P energy: -40.181
tors. eta vs tors. theta energy: -6.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -400.938087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.938087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.938087 (E_RNA)
where:
Base-Base interactions energy: -120.753
where: short stacking energy: -104.708
Base-Backbone interact. energy: -0.270
local terms energy: -279.915179
where:
bonds (distance) C4'-P energy: -86.997
bonds (distance) P-C4' energy: -84.358
flat angles C4'-P-C4' energy: -76.317
flat angles P-C4'-P energy: -37.425
tors. eta vs tors. theta energy: 5.181
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: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -397.587876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.587876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.587876 (E_RNA)
where:
Base-Base interactions energy: -130.703
where: short stacking energy: -125.633
Base-Backbone interact. energy: 2.085
local terms energy: -268.970217
where:
bonds (distance) C4'-P energy: -75.044
bonds (distance) P-C4' energy: -82.216
flat angles C4'-P-C4' energy: -64.908
flat angles P-C4'-P energy: -50.427
tors. eta vs tors. theta energy: 3.624
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: 6
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1260.795663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.795663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.795663 (E_RNA)
where:
Base-Base interactions energy: -769.479
where: short stacking energy: -444.006
Base-Backbone interact. energy: -1.447
local terms energy: -489.869460
where:
bonds (distance) C4'-P energy: -88.008
bonds (distance) P-C4' energy: -102.608
flat angles C4'-P-C4' energy: -99.587
flat angles P-C4'-P energy: -75.360
tors. eta vs tors. theta energy: -124.307
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: 2
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1167.125421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.125421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.125421 (E_RNA)
where:
Base-Base interactions energy: -675.770
where: short stacking energy: -426.949
Base-Backbone interact. energy: -0.564
local terms energy: -490.791555
where:
bonds (distance) C4'-P energy: -82.556
bonds (distance) P-C4' energy: -96.305
flat angles C4'-P-C4' energy: -107.528
flat angles P-C4'-P energy: -72.398
tors. eta vs tors. theta energy: -132.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -962.174565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.174565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.174565 (E_RNA)
where:
Base-Base interactions energy: -546.259
where: short stacking energy: -333.374
Base-Backbone interact. energy: -1.748
local terms energy: -414.167226
where:
bonds (distance) C4'-P energy: -88.495
bonds (distance) P-C4' energy: -89.223
flat angles C4'-P-C4' energy: -95.514
flat angles P-C4'-P energy: -63.817
tors. eta vs tors. theta energy: -77.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -823.759841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.759841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.759841 (E_RNA)
where:
Base-Base interactions energy: -445.867
where: short stacking energy: -275.564
Base-Backbone interact. energy: -1.018
local terms energy: -376.874879
where:
bonds (distance) C4'-P energy: -88.832
bonds (distance) P-C4' energy: -94.382
flat angles C4'-P-C4' energy: -82.365
flat angles P-C4'-P energy: -48.279
tors. eta vs tors. theta energy: -63.017
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: 470
Temperature: 1.100000
Total energy: -718.080761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.080761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.080761 (E_RNA)
where:
Base-Base interactions energy: -387.457
where: short stacking energy: -238.964
Base-Backbone interact. energy: -0.576
local terms energy: -330.047354
where:
bonds (distance) C4'-P energy: -68.349
bonds (distance) P-C4' energy: -85.790
flat angles C4'-P-C4' energy: -88.998
flat angles P-C4'-P energy: -41.666
tors. eta vs tors. theta energy: -45.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -615.054265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.054265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.054265 (E_RNA)
where:
Base-Base interactions energy: -303.864
where: short stacking energy: -220.201
Base-Backbone interact. energy: 0.067
local terms energy: -311.257669
where:
bonds (distance) C4'-P energy: -78.019
bonds (distance) P-C4' energy: -77.388
flat angles C4'-P-C4' energy: -68.788
flat angles P-C4'-P energy: -50.289
tors. eta vs tors. theta energy: -36.774
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: 7, replica: 1
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -452.161852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.161852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.161852 (E_RNA)
where:
Base-Base interactions energy: -156.991
where: short stacking energy: -145.304
Base-Backbone interact. energy: -1.174
local terms energy: -293.996716
where:
bonds (distance) C4'-P energy: -89.947
bonds (distance) P-C4' energy: -90.724
flat angles C4'-P-C4' energy: -69.622
flat angles P-C4'-P energy: -40.657
tors. eta vs tors. theta energy: -3.045
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: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -418.278217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.278217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.278217 (E_RNA)
where:
Base-Base interactions energy: -155.944
where: short stacking energy: -142.841
Base-Backbone interact. energy: -1.160
local terms energy: -261.174593
where:
bonds (distance) C4'-P energy: -62.780
bonds (distance) P-C4' energy: -89.197
flat angles C4'-P-C4' energy: -71.813
flat angles P-C4'-P energy: -36.477
tors. eta vs tors. theta energy: -0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -370.256124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.256124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.256124 (E_RNA)
where:
Base-Base interactions energy: -123.513
where: short stacking energy: -117.035
Base-Backbone interact. energy: -1.013
local terms energy: -245.729939
where:
bonds (distance) C4'-P energy: -72.059
bonds (distance) P-C4' energy: -81.339
flat angles C4'-P-C4' energy: -58.122
flat angles P-C4'-P energy: -53.595
tors. eta vs tors. theta energy: 19.385
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: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -376.626046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.626046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.626046 (E_RNA)
where:
Base-Base interactions energy: -117.685
where: short stacking energy: -100.937
Base-Backbone interact. energy: -2.201
local terms energy: -256.740569
where:
bonds (distance) C4'-P energy: -82.763
bonds (distance) P-C4' energy: -75.035
flat angles C4'-P-C4' energy: -68.021
flat angles P-C4'-P energy: -37.301
tors. eta vs tors. theta energy: 6.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1274.533102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.533102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.533102 (E_RNA)
where:
Base-Base interactions energy: -790.979
where: short stacking energy: -467.312
Base-Backbone interact. energy: 1.322
local terms energy: -484.875889
where:
bonds (distance) C4'-P energy: -96.321
bonds (distance) P-C4' energy: -80.764
flat angles C4'-P-C4' energy: -104.444
flat angles P-C4'-P energy: -61.713
tors. eta vs tors. theta energy: -141.634
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: 471
Temperature: 0.950000
Total energy: -1151.841946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.841946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.841946 (E_RNA)
where:
Base-Base interactions energy: -674.147
where: short stacking energy: -411.558
Base-Backbone interact. energy: -0.377
local terms energy: -477.318476
where:
bonds (distance) C4'-P energy: -87.944
bonds (distance) P-C4' energy: -99.350
flat angles C4'-P-C4' energy: -95.621
flat angles P-C4'-P energy: -66.636
tors. eta vs tors. theta energy: -127.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -971.403432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.403432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.403432 (E_RNA)
where:
Base-Base interactions energy: -540.059
where: short stacking energy: -328.527
Base-Backbone interact. energy: -1.131
local terms energy: -430.213173
where:
bonds (distance) C4'-P energy: -92.028
bonds (distance) P-C4' energy: -94.121
flat angles C4'-P-C4' energy: -95.559
flat angles P-C4'-P energy: -60.974
tors. eta vs tors. theta energy: -87.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -934.180537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.180537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.180537 (E_RNA)
where:
Base-Base interactions energy: -522.879
where: short stacking energy: -317.063
Base-Backbone interact. energy: 1.978
local terms energy: -413.278543
where:
bonds (distance) C4'-P energy: -98.712
bonds (distance) P-C4' energy: -90.942
flat angles C4'-P-C4' energy: -89.389
flat angles P-C4'-P energy: -53.817
tors. eta vs tors. theta energy: -80.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -753.773906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.773906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.773906 (E_RNA)
where:
Base-Base interactions energy: -378.629
where: short stacking energy: -253.719
Base-Backbone interact. energy: -2.506
local terms energy: -372.639157
where:
bonds (distance) C4'-P energy: -86.492
bonds (distance) P-C4' energy: -96.808
flat angles C4'-P-C4' energy: -79.173
flat angles P-C4'-P energy: -47.842
tors. eta vs tors. theta energy: -62.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -614.481661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.481661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.481661 (E_RNA)
where:
Base-Base interactions energy: -300.864
where: short stacking energy: -195.639
Base-Backbone interact. energy: 1.841
local terms energy: -315.458497
where:
bonds (distance) C4'-P energy: -78.078
bonds (distance) P-C4' energy: -87.305
flat angles C4'-P-C4' energy: -82.079
flat angles P-C4'-P energy: -44.084
tors. eta vs tors. theta energy: -23.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -460.098452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.098452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.098452 (E_RNA)
where:
Base-Base interactions energy: -169.659
where: short stacking energy: -133.457
Base-Backbone interact. energy: -0.504
local terms energy: -289.935100
where:
bonds (distance) C4'-P energy: -84.353
bonds (distance) P-C4' energy: -77.271
flat angles C4'-P-C4' energy: -67.334
flat angles P-C4'-P energy: -56.975
tors. eta vs tors. theta energy: -4.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -442.949537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.949537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.949537 (E_RNA)
where:
Base-Base interactions energy: -156.789
where: short stacking energy: -133.823
Base-Backbone interact. energy: -0.970
local terms energy: -285.190985
where:
bonds (distance) C4'-P energy: -66.636
bonds (distance) P-C4' energy: -84.348
flat angles C4'-P-C4' energy: -76.700
flat angles P-C4'-P energy: -40.659
tors. eta vs tors. theta energy: -16.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -383.128826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.128826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.128826 (E_RNA)
where:
Base-Base interactions energy: -134.152
where: short stacking energy: -125.106
Base-Backbone interact. energy: 4.517
local terms energy: -253.493892
where:
bonds (distance) C4'-P energy: -70.990
bonds (distance) P-C4' energy: -89.229
flat angles C4'-P-C4' energy: -65.181
flat angles P-C4'-P energy: -23.313
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -347.644395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.644395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.644395 (E_RNA)
where:
Base-Base interactions energy: -121.472
where: short stacking energy: -114.371
Base-Backbone interact. energy: -0.730
local terms energy: -225.442157
where:
bonds (distance) C4'-P energy: -63.429
bonds (distance) P-C4' energy: -73.093
flat angles C4'-P-C4' energy: -73.619
flat angles P-C4'-P energy: -23.877
tors. eta vs tors. theta energy: 8.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1258.148623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.148623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.148623 (E_RNA)
where:
Base-Base interactions energy: -779.730
where: short stacking energy: -447.558
Base-Backbone interact. energy: 2.430
local terms energy: -480.848698
where:
bonds (distance) C4'-P energy: -81.421
bonds (distance) P-C4' energy: -89.448
flat angles C4'-P-C4' energy: -102.901
flat angles P-C4'-P energy: -65.225
tors. eta vs tors. theta energy: -141.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1162.950222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.950222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.950222 (E_RNA)
where:
Base-Base interactions energy: -688.142
where: short stacking energy: -419.635
Base-Backbone interact. energy: -0.466
local terms energy: -474.341798
where:
bonds (distance) C4'-P energy: -86.279
bonds (distance) P-C4' energy: -90.411
flat angles C4'-P-C4' energy: -100.238
flat angles P-C4'-P energy: -72.504
tors. eta vs tors. theta energy: -124.909
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: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -934.991231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.991231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.991231 (E_RNA)
where:
Base-Base interactions energy: -521.864
where: short stacking energy: -317.742
Base-Backbone interact. energy: 0.413
local terms energy: -413.540216
where:
bonds (distance) C4'-P energy: -72.834
bonds (distance) P-C4' energy: -93.736
flat angles C4'-P-C4' energy: -91.385
flat angles P-C4'-P energy: -67.160
tors. eta vs tors. theta energy: -88.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -862.669171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.669171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.669171 (E_RNA)
where:
Base-Base interactions energy: -486.702
where: short stacking energy: -280.115
Base-Backbone interact. energy: 7.479
local terms energy: -383.445934
where:
bonds (distance) C4'-P energy: -68.244
bonds (distance) P-C4' energy: -99.881
flat angles C4'-P-C4' energy: -87.615
flat angles P-C4'-P energy: -64.085
tors. eta vs tors. theta energy: -63.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -737.431713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.431713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.431713 (E_RNA)
where:
Base-Base interactions energy: -376.796
where: short stacking energy: -253.926
Base-Backbone interact. energy: -0.770
local terms energy: -359.866038
where:
bonds (distance) C4'-P energy: -75.957
bonds (distance) P-C4' energy: -78.330
flat angles C4'-P-C4' energy: -93.133
flat angles P-C4'-P energy: -59.585
tors. eta vs tors. theta energy: -52.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -647.622617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.622617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.622617 (E_RNA)
where:
Base-Base interactions energy: -314.222
where: short stacking energy: -208.373
Base-Backbone interact. energy: 1.020
local terms energy: -334.420235
where:
bonds (distance) C4'-P energy: -73.191
bonds (distance) P-C4' energy: -86.711
flat angles C4'-P-C4' energy: -80.462
flat angles P-C4'-P energy: -53.813
tors. eta vs tors. theta energy: -40.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -479.143747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.143747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.143747 (E_RNA)
where:
Base-Base interactions energy: -188.407
where: short stacking energy: -159.136
Base-Backbone interact. energy: -0.886
local terms energy: -289.850808
where:
bonds (distance) C4'-P energy: -75.144
bonds (distance) P-C4' energy: -79.336
flat angles C4'-P-C4' energy: -69.464
flat angles P-C4'-P energy: -56.450
tors. eta vs tors. theta energy: -9.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -446.608874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.608874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.608874 (E_RNA)
where:
Base-Base interactions energy: -154.477
where: short stacking energy: -142.222
Base-Backbone interact. energy: 2.035
local terms energy: -294.167268
where:
bonds (distance) C4'-P energy: -72.369
bonds (distance) P-C4' energy: -91.509
flat angles C4'-P-C4' energy: -80.946
flat angles P-C4'-P energy: -35.898
tors. eta vs tors. theta energy: -13.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -389.246478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.246478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.246478 (E_RNA)
where:
Base-Base interactions energy: -142.442
where: short stacking energy: -127.630
Base-Backbone interact. energy: 2.886
local terms energy: -249.691007
where:
bonds (distance) C4'-P energy: -64.549
bonds (distance) P-C4' energy: -74.045
flat angles C4'-P-C4' energy: -69.437
flat angles P-C4'-P energy: -40.240
tors. eta vs tors. theta energy: -1.420
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: 472
Temperature: 1.350000
Total energy: -358.874238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.874238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.874238 (E_RNA)
where:
Base-Base interactions energy: -110.064
where: short stacking energy: -100.093
Base-Backbone interact. energy: -0.656
local terms energy: -248.154949
where:
bonds (distance) C4'-P energy: -65.997
bonds (distance) P-C4' energy: -73.470
flat angles C4'-P-C4' energy: -80.188
flat angles P-C4'-P energy: -43.690
tors. eta vs tors. theta energy: 15.189
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: 6
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1238.457543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.457543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.457543 (E_RNA)
where:
Base-Base interactions energy: -746.558
where: short stacking energy: -434.644
Base-Backbone interact. energy: -0.695
local terms energy: -491.205480
where:
bonds (distance) C4'-P energy: -95.821
bonds (distance) P-C4' energy: -91.307
flat angles C4'-P-C4' energy: -93.364
flat angles P-C4'-P energy: -70.150
tors. eta vs tors. theta energy: -140.563
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: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1164.101480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.101480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.101480 (E_RNA)
where:
Base-Base interactions energy: -686.835
where: short stacking energy: -421.756
Base-Backbone interact. energy: -0.561
local terms energy: -476.705423
where:
bonds (distance) C4'-P energy: -81.823
bonds (distance) P-C4' energy: -100.735
flat angles C4'-P-C4' energy: -100.431
flat angles P-C4'-P energy: -65.121
tors. eta vs tors. theta energy: -128.595
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: 10
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1015.235438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.235438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.235438 (E_RNA)
where:
Base-Base interactions energy: -559.113
where: short stacking energy: -353.128
Base-Backbone interact. energy: -0.428
local terms energy: -455.693647
where:
bonds (distance) C4'-P energy: -73.405
bonds (distance) P-C4' energy: -103.703
flat angles C4'-P-C4' energy: -103.615
flat angles P-C4'-P energy: -74.775
tors. eta vs tors. theta energy: -100.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -846.520997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.520997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.520997 (E_RNA)
where:
Base-Base interactions energy: -444.528
where: short stacking energy: -255.505
Base-Backbone interact. energy: -1.268
local terms energy: -400.724860
where:
bonds (distance) C4'-P energy: -83.712
bonds (distance) P-C4' energy: -93.887
flat angles C4'-P-C4' energy: -94.489
flat angles P-C4'-P energy: -54.460
tors. eta vs tors. theta energy: -74.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -739.667952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.667952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.667952 (E_RNA)
where:
Base-Base interactions energy: -368.882
where: short stacking energy: -219.127
Base-Backbone interact. energy: 3.517
local terms energy: -374.302533
where:
bonds (distance) C4'-P energy: -93.151
bonds (distance) P-C4' energy: -90.191
flat angles C4'-P-C4' energy: -93.725
flat angles P-C4'-P energy: -55.374
tors. eta vs tors. theta energy: -41.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -647.601833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.601833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.601833 (E_RNA)
where:
Base-Base interactions energy: -310.791
where: short stacking energy: -207.434
Base-Backbone interact. energy: -0.843
local terms energy: -335.968623
where:
bonds (distance) C4'-P energy: -86.363
bonds (distance) P-C4' energy: -83.407
flat angles C4'-P-C4' energy: -79.761
flat angles P-C4'-P energy: -55.638
tors. eta vs tors. theta energy: -30.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -445.772292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.772292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.772292 (E_RNA)
where:
Base-Base interactions energy: -163.261
where: short stacking energy: -147.589
Base-Backbone interact. energy: 1.043
local terms energy: -283.554463
where:
bonds (distance) C4'-P energy: -65.232
bonds (distance) P-C4' energy: -92.216
flat angles C4'-P-C4' energy: -72.015
flat angles P-C4'-P energy: -52.538
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -392.713303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.713303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.713303 (E_RNA)
where:
Base-Base interactions energy: -138.527
where: short stacking energy: -120.660
Base-Backbone interact. energy: 2.450
local terms energy: -256.636188
where:
bonds (distance) C4'-P energy: -67.892
bonds (distance) P-C4' energy: -73.792
flat angles C4'-P-C4' energy: -79.011
flat angles P-C4'-P energy: -33.207
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: 9, replica: 3
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -392.108691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.108691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.108691 (E_RNA)
where:
Base-Base interactions energy: -125.090
where: short stacking energy: -121.499
Base-Backbone interact. energy: -0.801
local terms energy: -266.217817
where:
bonds (distance) C4'-P energy: -73.898
bonds (distance) P-C4' energy: -85.241
flat angles C4'-P-C4' energy: -65.669
flat angles P-C4'-P energy: -45.938
tors. eta vs tors. theta energy: 4.528
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: 473
Temperature: 1.350000
Total energy: -337.821389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.821389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.821389 (E_RNA)
where:
Base-Base interactions energy: -98.773
where: short stacking energy: -85.458
Base-Backbone interact. energy: -2.394
local terms energy: -236.654720
where:
bonds (distance) C4'-P energy: -92.939
bonds (distance) P-C4' energy: -83.558
flat angles C4'-P-C4' energy: -61.732
flat angles P-C4'-P energy: -23.078
tors. eta vs tors. theta energy: 24.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1288.977813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.977813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.977813 (E_RNA)
where:
Base-Base interactions energy: -786.722
where: short stacking energy: -465.020
Base-Backbone interact. energy: -1.392
local terms energy: -500.863222
where:
bonds (distance) C4'-P energy: -81.081
bonds (distance) P-C4' energy: -99.339
flat angles C4'-P-C4' energy: -102.635
flat angles P-C4'-P energy: -75.760
tors. eta vs tors. theta energy: -142.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1160.283099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.283099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.283099 (E_RNA)
where:
Base-Base interactions energy: -695.927
where: short stacking energy: -401.549
Base-Backbone interact. energy: -1.618
local terms energy: -462.737689
where:
bonds (distance) C4'-P energy: -96.381
bonds (distance) P-C4' energy: -89.456
flat angles C4'-P-C4' energy: -92.347
flat angles P-C4'-P energy: -63.818
tors. eta vs tors. theta energy: -120.735
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: 3, replica: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1000.618688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.618688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.618688 (E_RNA)
where:
Base-Base interactions energy: -544.078
where: short stacking energy: -354.433
Base-Backbone interact. energy: -0.605
local terms energy: -455.935961
where:
bonds (distance) C4'-P energy: -86.857
bonds (distance) P-C4' energy: -92.475
flat angles C4'-P-C4' energy: -96.073
flat angles P-C4'-P energy: -69.584
tors. eta vs tors. theta energy: -110.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -851.766495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.766495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.766495 (E_RNA)
where:
Base-Base interactions energy: -480.097
where: short stacking energy: -302.485
Base-Backbone interact. energy: -1.620
local terms energy: -370.049484
where:
bonds (distance) C4'-P energy: -77.303
bonds (distance) P-C4' energy: -95.195
flat angles C4'-P-C4' energy: -78.520
flat angles P-C4'-P energy: -49.550
tors. eta vs tors. theta energy: -69.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -738.042617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.042617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.042617 (E_RNA)
where:
Base-Base interactions energy: -377.420
where: short stacking energy: -238.243
Base-Backbone interact. energy: -1.072
local terms energy: -359.549913
where:
bonds (distance) C4'-P energy: -92.233
bonds (distance) P-C4' energy: -75.833
flat angles C4'-P-C4' energy: -76.691
flat angles P-C4'-P energy: -59.014
tors. eta vs tors. theta energy: -55.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -524.331265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.331265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.331265 (E_RNA)
where:
Base-Base interactions energy: -224.409
where: short stacking energy: -191.157
Base-Backbone interact. energy: 0.366
local terms energy: -300.288761
where:
bonds (distance) C4'-P energy: -76.101
bonds (distance) P-C4' energy: -72.819
flat angles C4'-P-C4' energy: -87.215
flat angles P-C4'-P energy: -41.055
tors. eta vs tors. theta energy: -23.099
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: 7, replica: 1
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -431.943634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.943634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.943634 (E_RNA)
where:
Base-Base interactions energy: -158.452
where: short stacking energy: -130.308
Base-Backbone interact. energy: -0.629
local terms energy: -272.863218
where:
bonds (distance) C4'-P energy: -84.190
bonds (distance) P-C4' energy: -66.459
flat angles C4'-P-C4' energy: -67.154
flat angles P-C4'-P energy: -50.688
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -442.489953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.489953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.489953 (E_RNA)
where:
Base-Base interactions energy: -174.321
where: short stacking energy: -154.069
Base-Backbone interact. energy: 0.200
local terms energy: -268.368386
where:
bonds (distance) C4'-P energy: -71.841
bonds (distance) P-C4' energy: -84.571
flat angles C4'-P-C4' energy: -68.327
flat angles P-C4'-P energy: -34.706
tors. eta vs tors. theta energy: -8.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -358.457405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.457405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.457405 (E_RNA)
where:
Base-Base interactions energy: -124.613
where: short stacking energy: -117.799
Base-Backbone interact. energy: 1.998
local terms energy: -235.842593
where:
bonds (distance) C4'-P energy: -68.086
bonds (distance) P-C4' energy: -72.013
flat angles C4'-P-C4' energy: -63.070
flat angles P-C4'-P energy: -47.522
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: 3
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -362.353347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.353347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.353347 (E_RNA)
where:
Base-Base interactions energy: -96.453
where: short stacking energy: -81.292
Base-Backbone interact. energy: -1.332
local terms energy: -264.567484
where:
bonds (distance) C4'-P energy: -82.129
bonds (distance) P-C4' energy: -85.881
flat angles C4'-P-C4' energy: -73.208
flat angles P-C4'-P energy: -46.323
tors. eta vs tors. theta energy: 22.973
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: 6
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1306.317447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.317447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.317447 (E_RNA)
where:
Base-Base interactions energy: -810.926
where: short stacking energy: -472.712
Base-Backbone interact. energy: 0.087
local terms energy: -495.479260
where:
bonds (distance) C4'-P energy: -88.113
bonds (distance) P-C4' energy: -97.179
flat angles C4'-P-C4' energy: -99.984
flat angles P-C4'-P energy: -66.507
tors. eta vs tors. theta energy: -143.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1169.544329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.544329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.544329 (E_RNA)
where:
Base-Base interactions energy: -680.021
where: short stacking energy: -405.126
Base-Backbone interact. energy: -1.045
local terms energy: -488.478961
where:
bonds (distance) C4'-P energy: -99.204
bonds (distance) P-C4' energy: -80.306
flat angles C4'-P-C4' energy: -111.553
flat angles P-C4'-P energy: -77.819
tors. eta vs tors. theta energy: -119.596
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: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -990.899912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.899912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.899912 (E_RNA)
where:
Base-Base interactions energy: -552.977
where: short stacking energy: -331.899
Base-Backbone interact. energy: 1.285
local terms energy: -439.207401
where:
bonds (distance) C4'-P energy: -86.467
bonds (distance) P-C4' energy: -98.448
flat angles C4'-P-C4' energy: -96.536
flat angles P-C4'-P energy: -65.726
tors. eta vs tors. theta energy: -92.030
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: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -862.551719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.551719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.551719 (E_RNA)
where:
Base-Base interactions energy: -489.315
where: short stacking energy: -288.322
Base-Backbone interact. energy: 3.275
local terms energy: -376.511592
where:
bonds (distance) C4'-P energy: -84.700
bonds (distance) P-C4' energy: -84.659
flat angles C4'-P-C4' energy: -84.158
flat angles P-C4'-P energy: -48.424
tors. eta vs tors. theta energy: -74.571
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: 475
Temperature: 1.100000
Total energy: -679.580122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.580122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.580122 (E_RNA)
where:
Base-Base interactions energy: -323.235
where: short stacking energy: -207.423
Base-Backbone interact. energy: -2.162
local terms energy: -354.183723
where:
bonds (distance) C4'-P energy: -96.875
bonds (distance) P-C4' energy: -89.093
flat angles C4'-P-C4' energy: -90.358
flat angles P-C4'-P energy: -45.098
tors. eta vs tors. theta energy: -32.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -565.091618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.091618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.091618 (E_RNA)
where:
Base-Base interactions energy: -243.488
where: short stacking energy: -193.521
Base-Backbone interact. energy: -2.053
local terms energy: -319.550983
where:
bonds (distance) C4'-P energy: -82.101
bonds (distance) P-C4' energy: -77.756
flat angles C4'-P-C4' energy: -85.093
flat angles P-C4'-P energy: -51.928
tors. eta vs tors. theta energy: -22.673
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: 1
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -467.145046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.145046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.145046 (E_RNA)
where:
Base-Base interactions energy: -173.353
where: short stacking energy: -165.560
Base-Backbone interact. energy: -1.650
local terms energy: -292.141418
where:
bonds (distance) C4'-P energy: -78.142
bonds (distance) P-C4' energy: -82.803
flat angles C4'-P-C4' energy: -79.909
flat angles P-C4'-P energy: -47.553
tors. eta vs tors. theta energy: -3.735
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: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -423.932724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.932724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.932724 (E_RNA)
where:
Base-Base interactions energy: -135.417
where: short stacking energy: -120.518
Base-Backbone interact. energy: 0.344
local terms energy: -288.860151
where:
bonds (distance) C4'-P energy: -93.148
bonds (distance) P-C4' energy: -67.601
flat angles C4'-P-C4' energy: -69.520
flat angles P-C4'-P energy: -50.958
tors. eta vs tors. theta energy: -7.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -406.678755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.678755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.678755 (E_RNA)
where:
Base-Base interactions energy: -158.532
where: short stacking energy: -138.669
Base-Backbone interact. energy: 2.693
local terms energy: -250.839855
where:
bonds (distance) C4'-P energy: -67.456
bonds (distance) P-C4' energy: -95.521
flat angles C4'-P-C4' energy: -67.419
flat angles P-C4'-P energy: -28.462
tors. eta vs tors. theta energy: 8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -345.485648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.485648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.485648 (E_RNA)
where:
Base-Base interactions energy: -110.811
where: short stacking energy: -101.090
Base-Backbone interact. energy: 1.146
local terms energy: -235.820680
where:
bonds (distance) C4'-P energy: -63.044
bonds (distance) P-C4' energy: -80.471
flat angles C4'-P-C4' energy: -48.226
flat angles P-C4'-P energy: -51.522
tors. eta vs tors. theta energy: 7.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1267.771294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.771294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.771294 (E_RNA)
where:
Base-Base interactions energy: -751.699
where: short stacking energy: -441.510
Base-Backbone interact. energy: -1.162
local terms energy: -514.910842
where:
bonds (distance) C4'-P energy: -96.442
bonds (distance) P-C4' energy: -103.194
flat angles C4'-P-C4' energy: -111.006
flat angles P-C4'-P energy: -67.357
tors. eta vs tors. theta energy: -136.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1177.715697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.715697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.715697 (E_RNA)
where:
Base-Base interactions energy: -694.183
where: short stacking energy: -409.279
Base-Backbone interact. energy: -0.847
local terms energy: -482.685981
where:
bonds (distance) C4'-P energy: -86.618
bonds (distance) P-C4' energy: -93.160
flat angles C4'-P-C4' energy: -114.660
flat angles P-C4'-P energy: -69.864
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: 10
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -937.614863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.614863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.614863 (E_RNA)
where:
Base-Base interactions energy: -520.563
where: short stacking energy: -328.227
Base-Backbone interact. energy: -1.104
local terms energy: -415.947761
where:
bonds (distance) C4'-P energy: -91.480
bonds (distance) P-C4' energy: -87.958
flat angles C4'-P-C4' energy: -94.477
flat angles P-C4'-P energy: -59.504
tors. eta vs tors. theta energy: -82.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -893.355366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.355366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.355366 (E_RNA)
where:
Base-Base interactions energy: -486.377
where: short stacking energy: -293.073
Base-Backbone interact. energy: -0.729
local terms energy: -406.249963
where:
bonds (distance) C4'-P energy: -95.241
bonds (distance) P-C4' energy: -80.687
flat angles C4'-P-C4' energy: -94.419
flat angles P-C4'-P energy: -69.106
tors. eta vs tors. theta energy: -66.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -710.513242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.513242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.513242 (E_RNA)
where:
Base-Base interactions energy: -372.288
where: short stacking energy: -223.977
Base-Backbone interact. energy: -0.596
local terms energy: -337.628980
where:
bonds (distance) C4'-P energy: -82.680
bonds (distance) P-C4' energy: -83.959
flat angles C4'-P-C4' energy: -78.491
flat angles P-C4'-P energy: -54.536
tors. eta vs tors. theta energy: -37.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -585.678745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.678745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.678745 (E_RNA)
where:
Base-Base interactions energy: -264.064
where: short stacking energy: -191.092
Base-Backbone interact. energy: -1.094
local terms energy: -320.521080
where:
bonds (distance) C4'-P energy: -62.208
bonds (distance) P-C4' energy: -89.175
flat angles C4'-P-C4' energy: -84.571
flat angles P-C4'-P energy: -56.939
tors. eta vs tors. theta energy: -27.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -432.049973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.049973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.049973 (E_RNA)
where:
Base-Base interactions energy: -141.859
where: short stacking energy: -135.928
Base-Backbone interact. energy: -1.554
local terms energy: -288.636735
where:
bonds (distance) C4'-P energy: -88.265
bonds (distance) P-C4' energy: -81.996
flat angles C4'-P-C4' energy: -79.518
flat angles P-C4'-P energy: -36.525
tors. eta vs tors. theta energy: -2.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -457.222314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.222314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.222314 (E_RNA)
where:
Base-Base interactions energy: -181.236
where: short stacking energy: -149.881
Base-Backbone interact. energy: -1.878
local terms energy: -274.109063
where:
bonds (distance) C4'-P energy: -77.208
bonds (distance) P-C4' energy: -83.254
flat angles C4'-P-C4' energy: -82.087
flat angles P-C4'-P energy: -28.277
tors. eta vs tors. theta energy: -3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -388.420759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.420759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.420759 (E_RNA)
where:
Base-Base interactions energy: -131.453
where: short stacking energy: -127.581
Base-Backbone interact. energy: -1.319
local terms energy: -255.648909
where:
bonds (distance) C4'-P energy: -81.701
bonds (distance) P-C4' energy: -78.514
flat angles C4'-P-C4' energy: -63.541
flat angles P-C4'-P energy: -39.904
tors. eta vs tors. theta energy: 8.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -350.173435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.173435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.173435 (E_RNA)
where:
Base-Base interactions energy: -120.379
where: short stacking energy: -104.812
Base-Backbone interact. energy: 4.992
local terms energy: -234.787012
where:
bonds (distance) C4'-P energy: -85.614
bonds (distance) P-C4' energy: -79.266
flat angles C4'-P-C4' energy: -56.662
flat angles P-C4'-P energy: -38.024
tors. eta vs tors. theta energy: 24.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1279.571654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.571654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.571654 (E_RNA)
where:
Base-Base interactions energy: -764.276
where: short stacking energy: -462.281
Base-Backbone interact. energy: -0.689
local terms energy: -514.606098
where:
bonds (distance) C4'-P energy: -96.794
bonds (distance) P-C4' energy: -101.631
flat angles C4'-P-C4' energy: -109.933
flat angles P-C4'-P energy: -68.030
tors. eta vs tors. theta energy: -138.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1191.529802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.529802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.529802 (E_RNA)
where:
Base-Base interactions energy: -703.695
where: short stacking energy: -441.217
Base-Backbone interact. energy: -1.212
local terms energy: -486.623052
where:
bonds (distance) C4'-P energy: -94.863
bonds (distance) P-C4' energy: -88.306
flat angles C4'-P-C4' energy: -98.992
flat angles P-C4'-P energy: -69.177
tors. eta vs tors. theta energy: -135.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -935.797098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.797098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.797098 (E_RNA)
where:
Base-Base interactions energy: -512.678
where: short stacking energy: -301.447
Base-Backbone interact. energy: -0.177
local terms energy: -422.942370
where:
bonds (distance) C4'-P energy: -87.638
bonds (distance) P-C4' energy: -85.718
flat angles C4'-P-C4' energy: -99.444
flat angles P-C4'-P energy: -60.734
tors. eta vs tors. theta energy: -89.409
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: 7
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -853.877536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.877536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.877536 (E_RNA)
where:
Base-Base interactions energy: -465.748
where: short stacking energy: -286.733
Base-Backbone interact. energy: -1.105
local terms energy: -387.024131
where:
bonds (distance) C4'-P energy: -76.161
bonds (distance) P-C4' energy: -98.237
flat angles C4'-P-C4' energy: -88.281
flat angles P-C4'-P energy: -51.411
tors. eta vs tors. theta energy: -72.934
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: 5, replica: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -712.693053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.693053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.693053 (E_RNA)
where:
Base-Base interactions energy: -340.670
where: short stacking energy: -204.136
Base-Backbone interact. energy: -1.943
local terms energy: -370.080561
where:
bonds (distance) C4'-P energy: -92.062
bonds (distance) P-C4' energy: -91.022
flat angles C4'-P-C4' energy: -86.063
flat angles P-C4'-P energy: -58.746
tors. eta vs tors. theta energy: -42.188
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: 4
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -546.953870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.953870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.953870 (E_RNA)
where:
Base-Base interactions energy: -235.788
where: short stacking energy: -193.843
Base-Backbone interact. energy: 0.252
local terms energy: -311.417395
where:
bonds (distance) C4'-P energy: -88.554
bonds (distance) P-C4' energy: -74.165
flat angles C4'-P-C4' energy: -81.203
flat angles P-C4'-P energy: -41.619
tors. eta vs tors. theta energy: -25.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -462.397710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.397710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.397710 (E_RNA)
where:
Base-Base interactions energy: -170.329
where: short stacking energy: -131.016
Base-Backbone interact. energy: -0.467
local terms energy: -291.601633
where:
bonds (distance) C4'-P energy: -85.747
bonds (distance) P-C4' energy: -75.636
flat angles C4'-P-C4' energy: -65.900
flat angles P-C4'-P energy: -53.089
tors. eta vs tors. theta energy: -11.229
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: 8
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -416.520704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.520704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.520704 (E_RNA)
where:
Base-Base interactions energy: -130.240
where: short stacking energy: -120.670
Base-Backbone interact. energy: -0.960
local terms energy: -285.320426
where:
bonds (distance) C4'-P energy: -78.378
bonds (distance) P-C4' energy: -91.197
flat angles C4'-P-C4' energy: -66.347
flat angles P-C4'-P energy: -57.126
tors. eta vs tors. theta energy: 7.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -400.714988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.714988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.714988 (E_RNA)
where:
Base-Base interactions energy: -144.740
where: short stacking energy: -114.365
Base-Backbone interact. energy: 0.891
local terms energy: -256.866519
where:
bonds (distance) C4'-P energy: -84.829
bonds (distance) P-C4' energy: -78.868
flat angles C4'-P-C4' energy: -69.429
flat angles P-C4'-P energy: -34.459
tors. eta vs tors. theta energy: 10.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -347.157782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.157782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.157782 (E_RNA)
where:
Base-Base interactions energy: -122.482
where: short stacking energy: -116.113
Base-Backbone interact. energy: 1.858
local terms energy: -226.533847
where:
bonds (distance) C4'-P energy: -73.215
bonds (distance) P-C4' energy: -93.053
flat angles C4'-P-C4' energy: -40.743
flat angles P-C4'-P energy: -37.332
tors. eta vs tors. theta energy: 17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1306.797983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.797983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.797983 (E_RNA)
where:
Base-Base interactions energy: -794.660
where: short stacking energy: -464.250
Base-Backbone interact. energy: -0.820
local terms energy: -511.318767
where:
bonds (distance) C4'-P energy: -87.280
bonds (distance) P-C4' energy: -94.687
flat angles C4'-P-C4' energy: -113.570
flat angles P-C4'-P energy: -65.957
tors. eta vs tors. theta energy: -149.824
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: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1182.450031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.450031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.450031 (E_RNA)
where:
Base-Base interactions energy: -717.305
where: short stacking energy: -447.599
Base-Backbone interact. energy: -0.777
local terms energy: -464.368523
where:
bonds (distance) C4'-P energy: -84.303
bonds (distance) P-C4' energy: -81.468
flat angles C4'-P-C4' energy: -104.231
flat angles P-C4'-P energy: -62.470
tors. eta vs tors. theta energy: -131.897
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: 10
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -970.419069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.419069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.419069 (E_RNA)
where:
Base-Base interactions energy: -551.722
where: short stacking energy: -329.012
Base-Backbone interact. energy: -2.509
local terms energy: -416.187924
where:
bonds (distance) C4'-P energy: -89.218
bonds (distance) P-C4' energy: -89.219
flat angles C4'-P-C4' energy: -89.870
flat angles P-C4'-P energy: -63.415
tors. eta vs tors. theta energy: -84.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -815.787044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.787044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.787044 (E_RNA)
where:
Base-Base interactions energy: -457.564
where: short stacking energy: -274.808
Base-Backbone interact. energy: -0.994
local terms energy: -357.229070
where:
bonds (distance) C4'-P energy: -63.651
bonds (distance) P-C4' energy: -90.639
flat angles C4'-P-C4' energy: -80.756
flat angles P-C4'-P energy: -53.053
tors. eta vs tors. theta energy: -69.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -756.042204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.042204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.042204 (E_RNA)
where:
Base-Base interactions energy: -402.361
where: short stacking energy: -250.059
Base-Backbone interact. energy: 2.052
local terms energy: -355.733471
where:
bonds (distance) C4'-P energy: -83.493
bonds (distance) P-C4' energy: -101.134
flat angles C4'-P-C4' energy: -94.836
flat angles P-C4'-P energy: -38.287
tors. eta vs tors. theta energy: -37.984
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: 4
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -554.601232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.601232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.601232 (E_RNA)
where:
Base-Base interactions energy: -218.385
where: short stacking energy: -172.665
Base-Backbone interact. energy: -0.578
local terms energy: -335.638864
where:
bonds (distance) C4'-P energy: -94.206
bonds (distance) P-C4' energy: -92.616
flat angles C4'-P-C4' energy: -75.336
flat angles P-C4'-P energy: -52.689
tors. eta vs tors. theta energy: -20.793
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: 478
Temperature: 1.200000
Total energy: -445.424104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.424104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.424104 (E_RNA)
where:
Base-Base interactions energy: -149.116
where: short stacking energy: -140.207
Base-Backbone interact. energy: 1.833
local terms energy: -298.141004
where:
bonds (distance) C4'-P energy: -83.315
bonds (distance) P-C4' energy: -90.305
flat angles C4'-P-C4' energy: -74.451
flat angles P-C4'-P energy: -42.369
tors. eta vs tors. theta energy: -7.702
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: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -402.422319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.422319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.422319 (E_RNA)
where:
Base-Base interactions energy: -122.043
where: short stacking energy: -111.228
Base-Backbone interact. energy: -0.897
local terms energy: -279.482545
where:
bonds (distance) C4'-P energy: -79.912
bonds (distance) P-C4' energy: -95.061
flat angles C4'-P-C4' energy: -71.712
flat angles P-C4'-P energy: -34.344
tors. eta vs tors. theta energy: 1.546
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: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -379.440675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.440675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.440675 (E_RNA)
where:
Base-Base interactions energy: -117.467
where: short stacking energy: -105.060
Base-Backbone interact. energy: 1.954
local terms energy: -263.927316
where:
bonds (distance) C4'-P energy: -81.081
bonds (distance) P-C4' energy: -78.787
flat angles C4'-P-C4' energy: -67.333
flat angles P-C4'-P energy: -39.672
tors. eta vs tors. theta energy: 2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -356.204845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.204845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.204845 (E_RNA)
where:
Base-Base interactions energy: -104.643
where: short stacking energy: -86.371
Base-Backbone interact. energy: 3.635
local terms energy: -255.196862
where:
bonds (distance) C4'-P energy: -73.732
bonds (distance) P-C4' energy: -91.700
flat angles C4'-P-C4' energy: -65.053
flat angles P-C4'-P energy: -38.149
tors. eta vs tors. theta energy: 13.438
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: 6
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1267.522973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.522973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.522973 (E_RNA)
where:
Base-Base interactions energy: -749.805
where: short stacking energy: -460.022
Base-Backbone interact. energy: 1.143
local terms energy: -518.861164
where:
bonds (distance) C4'-P energy: -90.214
bonds (distance) P-C4' energy: -95.705
flat angles C4'-P-C4' energy: -109.344
flat angles P-C4'-P energy: -79.349
tors. eta vs tors. theta energy: -144.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1146.791200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.791200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.791200 (E_RNA)
where:
Base-Base interactions energy: -698.437
where: short stacking energy: -415.180
Base-Backbone interact. energy: 0.626
local terms energy: -448.979668
where:
bonds (distance) C4'-P energy: -85.447
bonds (distance) P-C4' energy: -92.193
flat angles C4'-P-C4' energy: -87.357
flat angles P-C4'-P energy: -62.708
tors. eta vs tors. theta energy: -121.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -974.831232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.831232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.831232 (E_RNA)
where:
Base-Base interactions energy: -540.003
where: short stacking energy: -327.183
Base-Backbone interact. energy: -1.175
local terms energy: -433.653512
where:
bonds (distance) C4'-P energy: -93.736
bonds (distance) P-C4' energy: -94.534
flat angles C4'-P-C4' energy: -100.119
flat angles P-C4'-P energy: -65.349
tors. eta vs tors. theta energy: -79.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -852.186328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.186328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.186328 (E_RNA)
where:
Base-Base interactions energy: -488.043
where: short stacking energy: -304.482
Base-Backbone interact. energy: 2.361
local terms energy: -366.504189
where:
bonds (distance) C4'-P energy: -73.752
bonds (distance) P-C4' energy: -85.016
flat angles C4'-P-C4' energy: -82.659
flat angles P-C4'-P energy: -50.634
tors. eta vs tors. theta energy: -74.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -745.559072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.559072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.559072 (E_RNA)
where:
Base-Base interactions energy: -384.110
where: short stacking energy: -236.441
Base-Backbone interact. energy: -1.259
local terms energy: -360.189526
where:
bonds (distance) C4'-P energy: -82.017
bonds (distance) P-C4' energy: -85.556
flat angles C4'-P-C4' energy: -96.308
flat angles P-C4'-P energy: -54.199
tors. eta vs tors. theta energy: -42.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -530.602844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.602844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.602844 (E_RNA)
where:
Base-Base interactions energy: -242.913
where: short stacking energy: -167.261
Base-Backbone interact. energy: 1.829
local terms energy: -289.518837
where:
bonds (distance) C4'-P energy: -89.056
bonds (distance) P-C4' energy: -77.735
flat angles C4'-P-C4' energy: -58.170
flat angles P-C4'-P energy: -52.753
tors. eta vs tors. theta energy: -11.804
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: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -443.427700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.427700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.427700 (E_RNA)
where:
Base-Base interactions energy: -152.221
where: short stacking energy: -131.478
Base-Backbone interact. energy: -2.683
local terms energy: -288.523726
where:
bonds (distance) C4'-P energy: -64.984
bonds (distance) P-C4' energy: -89.506
flat angles C4'-P-C4' energy: -70.782
flat angles P-C4'-P energy: -53.720
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -422.157102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.157102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.157102 (E_RNA)
where:
Base-Base interactions energy: -148.117
where: short stacking energy: -111.569
Base-Backbone interact. energy: 0.032
local terms energy: -274.072600
where:
bonds (distance) C4'-P energy: -72.012
bonds (distance) P-C4' energy: -87.978
flat angles C4'-P-C4' energy: -65.002
flat angles P-C4'-P energy: -62.423
tors. eta vs tors. theta energy: 13.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -394.830070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.830070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.830070 (E_RNA)
where:
Base-Base interactions energy: -142.585
where: short stacking energy: -108.284
Base-Backbone interact. energy: -0.428
local terms energy: -251.817754
where:
bonds (distance) C4'-P energy: -66.811
bonds (distance) P-C4' energy: -80.174
flat angles C4'-P-C4' energy: -74.713
flat angles P-C4'-P energy: -31.371
tors. eta vs tors. theta energy: 1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -353.953963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.953963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.953963 (E_RNA)
where:
Base-Base interactions energy: -123.062
where: short stacking energy: -110.785
Base-Backbone interact. energy: 5.316
local terms energy: -236.207425
where:
bonds (distance) C4'-P energy: -58.181
bonds (distance) P-C4' energy: -71.910
flat angles C4'-P-C4' energy: -74.590
flat angles P-C4'-P energy: -40.957
tors. eta vs tors. theta energy: 9.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1259.345273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.345273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.345273 (E_RNA)
where:
Base-Base interactions energy: -757.305
where: short stacking energy: -431.579
Base-Backbone interact. energy: -2.122
local terms energy: -499.917802
where:
bonds (distance) C4'-P energy: -97.229
bonds (distance) P-C4' energy: -95.768
flat angles C4'-P-C4' energy: -104.299
flat angles P-C4'-P energy: -62.537
tors. eta vs tors. theta energy: -140.086
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: 480
Temperature: 0.950000
Total energy: -1174.841407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.841407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.841407 (E_RNA)
where:
Base-Base interactions energy: -693.592
where: short stacking energy: -423.414
Base-Backbone interact. energy: -0.741
local terms energy: -480.507706
where:
bonds (distance) C4'-P energy: -87.451
bonds (distance) P-C4' energy: -81.981
flat angles C4'-P-C4' energy: -107.633
flat angles P-C4'-P energy: -76.279
tors. eta vs tors. theta energy: -127.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -949.847440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.847440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.847440 (E_RNA)
where:
Base-Base interactions energy: -558.309
where: short stacking energy: -328.101
Base-Backbone interact. energy: -1.206
local terms energy: -390.333124
where:
bonds (distance) C4'-P energy: -81.897
bonds (distance) P-C4' energy: -83.530
flat angles C4'-P-C4' energy: -88.642
flat angles P-C4'-P energy: -60.131
tors. eta vs tors. theta energy: -76.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -857.690518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.690518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.690518 (E_RNA)
where:
Base-Base interactions energy: -455.826
where: short stacking energy: -263.642
Base-Backbone interact. energy: -1.929
local terms energy: -399.935906
where:
bonds (distance) C4'-P energy: -74.912
bonds (distance) P-C4' energy: -93.108
flat angles C4'-P-C4' energy: -99.185
flat angles P-C4'-P energy: -60.316
tors. eta vs tors. theta energy: -72.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -760.630309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.630309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.630309 (E_RNA)
where:
Base-Base interactions energy: -375.945
where: short stacking energy: -242.696
Base-Backbone interact. energy: -0.847
local terms energy: -383.838264
where:
bonds (distance) C4'-P energy: -83.963
bonds (distance) P-C4' energy: -89.289
flat angles C4'-P-C4' energy: -89.434
flat angles P-C4'-P energy: -61.986
tors. eta vs tors. theta energy: -59.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -571.321948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.321948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.321948 (E_RNA)
where:
Base-Base interactions energy: -251.545
where: short stacking energy: -157.307
Base-Backbone interact. energy: -0.379
local terms energy: -319.397872
where:
bonds (distance) C4'-P energy: -87.774
bonds (distance) P-C4' energy: -79.226
flat angles C4'-P-C4' energy: -84.448
flat angles P-C4'-P energy: -52.073
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: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -444.577609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.577609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.577609 (E_RNA)
where:
Base-Base interactions energy: -149.687
where: short stacking energy: -132.698
Base-Backbone interact. energy: 0.250
local terms energy: -295.139985
where:
bonds (distance) C4'-P energy: -86.216
bonds (distance) P-C4' energy: -87.532
flat angles C4'-P-C4' energy: -74.271
flat angles P-C4'-P energy: -51.817
tors. eta vs tors. theta energy: 4.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -422.606924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.606924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.606924 (E_RNA)
where:
Base-Base interactions energy: -125.409
where: short stacking energy: -85.727
Base-Backbone interact. energy: 0.123
local terms energy: -297.321042
where:
bonds (distance) C4'-P energy: -85.906
bonds (distance) P-C4' energy: -86.992
flat angles C4'-P-C4' energy: -78.762
flat angles P-C4'-P energy: -57.584
tors. eta vs tors. theta energy: 11.923
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: 480
Temperature: 1.300000
Total energy: -363.437247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.437247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.437247 (E_RNA)
where:
Base-Base interactions energy: -121.733
where: short stacking energy: -109.605
Base-Backbone interact. energy: 1.892
local terms energy: -243.595668
where:
bonds (distance) C4'-P energy: -72.178
bonds (distance) P-C4' energy: -77.504
flat angles C4'-P-C4' energy: -66.714
flat angles P-C4'-P energy: -37.838
tors. eta vs tors. theta energy: 10.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -343.550216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.550216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.550216 (E_RNA)
where:
Base-Base interactions energy: -105.851
where: short stacking energy: -104.909
Base-Backbone interact. energy: -1.910
local terms energy: -235.788716
where:
bonds (distance) C4'-P energy: -79.016
bonds (distance) P-C4' energy: -69.276
flat angles C4'-P-C4' energy: -66.424
flat angles P-C4'-P energy: -37.318
tors. eta vs tors. theta energy: 16.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1259.147278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.147278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.147278 (E_RNA)
where:
Base-Base interactions energy: -768.232
where: short stacking energy: -443.464
Base-Backbone interact. energy: -0.500
local terms energy: -490.415712
where:
bonds (distance) C4'-P energy: -84.097
bonds (distance) P-C4' energy: -98.015
flat angles C4'-P-C4' energy: -104.298
flat angles P-C4'-P energy: -68.971
tors. eta vs tors. theta energy: -135.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1155.600591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.600591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.600591 (E_RNA)
where:
Base-Base interactions energy: -687.716
where: short stacking energy: -437.076
Base-Backbone interact. energy: -0.796
local terms energy: -467.088491
where:
bonds (distance) C4'-P energy: -80.181
bonds (distance) P-C4' energy: -87.655
flat angles C4'-P-C4' energy: -99.181
flat angles P-C4'-P energy: -63.446
tors. eta vs tors. theta energy: -136.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -964.457145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.457145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.457145 (E_RNA)
where:
Base-Base interactions energy: -539.830
where: short stacking energy: -325.333
Base-Backbone interact. energy: -0.637
local terms energy: -423.989931
where:
bonds (distance) C4'-P energy: -85.022
bonds (distance) P-C4' energy: -92.503
flat angles C4'-P-C4' energy: -97.509
flat angles P-C4'-P energy: -56.538
tors. eta vs tors. theta energy: -92.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -841.049757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.049757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.049757 (E_RNA)
where:
Base-Base interactions energy: -449.944
where: short stacking energy: -276.689
Base-Backbone interact. energy: 2.317
local terms energy: -393.422369
where:
bonds (distance) C4'-P energy: -65.319
bonds (distance) P-C4' energy: -100.006
flat angles C4'-P-C4' energy: -95.255
flat angles P-C4'-P energy: -61.794
tors. eta vs tors. theta energy: -71.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -696.074206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.074206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.074206 (E_RNA)
where:
Base-Base interactions energy: -344.455
where: short stacking energy: -210.169
Base-Backbone interact. energy: -2.927
local terms energy: -348.691782
where:
bonds (distance) C4'-P energy: -86.472
bonds (distance) P-C4' energy: -90.623
flat angles C4'-P-C4' energy: -93.274
flat angles P-C4'-P energy: -47.620
tors. eta vs tors. theta energy: -30.703
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: 4
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -616.817636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.817636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.817636 (E_RNA)
where:
Base-Base interactions energy: -295.535
where: short stacking energy: -197.684
Base-Backbone interact. energy: 6.744
local terms energy: -328.026218
where:
bonds (distance) C4'-P energy: -84.361
bonds (distance) P-C4' energy: -83.382
flat angles C4'-P-C4' energy: -82.470
flat angles P-C4'-P energy: -43.928
tors. eta vs tors. theta energy: -33.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -452.596006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.596006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.596006 (E_RNA)
where:
Base-Base interactions energy: -165.099
where: short stacking energy: -145.760
Base-Backbone interact. energy: 5.415
local terms energy: -292.912415
where:
bonds (distance) C4'-P energy: -67.331
bonds (distance) P-C4' energy: -77.864
flat angles C4'-P-C4' energy: -85.458
flat angles P-C4'-P energy: -45.169
tors. eta vs tors. theta energy: -17.091
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: 9
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -409.590178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.590178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.590178 (E_RNA)
where:
Base-Base interactions energy: -149.854
where: short stacking energy: -116.983
Base-Backbone interact. energy: 0.453
local terms energy: -260.188943
where:
bonds (distance) C4'-P energy: -75.873
bonds (distance) P-C4' energy: -78.530
flat angles C4'-P-C4' energy: -74.723
flat angles P-C4'-P energy: -32.661
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: 3
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -414.626207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.626207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.626207 (E_RNA)
where:
Base-Base interactions energy: -158.751
where: short stacking energy: -133.045
Base-Backbone interact. energy: -1.934
local terms energy: -253.941349
where:
bonds (distance) C4'-P energy: -74.869
bonds (distance) P-C4' energy: -62.616
flat angles C4'-P-C4' energy: -72.162
flat angles P-C4'-P energy: -42.002
tors. eta vs tors. theta energy: -2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -375.491966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.491966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.491966 (E_RNA)
where:
Base-Base interactions energy: -133.570
where: short stacking energy: -112.602
Base-Backbone interact. energy: 3.218
local terms energy: -245.139871
where:
bonds (distance) C4'-P energy: -75.905
bonds (distance) P-C4' energy: -73.939
flat angles C4'-P-C4' energy: -56.574
flat angles P-C4'-P energy: -35.809
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1287.890341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.890341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.890341 (E_RNA)
where:
Base-Base interactions energy: -781.538
where: short stacking energy: -463.418
Base-Backbone interact. energy: -1.434
local terms energy: -504.918717
where:
bonds (distance) C4'-P energy: -87.336
bonds (distance) P-C4' energy: -97.233
flat angles C4'-P-C4' energy: -99.823
flat angles P-C4'-P energy: -72.625
tors. eta vs tors. theta energy: -147.901
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: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1210.901385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.901385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.901385 (E_RNA)
where:
Base-Base interactions energy: -718.138
where: short stacking energy: -445.199
Base-Backbone interact. energy: -0.560
local terms energy: -492.203396
where:
bonds (distance) C4'-P energy: -87.912
bonds (distance) P-C4' energy: -86.100
flat angles C4'-P-C4' energy: -103.222
flat angles P-C4'-P energy: -76.541
tors. eta vs tors. theta energy: -138.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -983.584729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.584729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.584729 (E_RNA)
where:
Base-Base interactions energy: -554.944
where: short stacking energy: -343.072
Base-Backbone interact. energy: -0.655
local terms energy: -427.985029
where:
bonds (distance) C4'-P energy: -85.730
bonds (distance) P-C4' energy: -99.318
flat angles C4'-P-C4' energy: -79.981
flat angles P-C4'-P energy: -63.967
tors. eta vs tors. theta energy: -98.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -809.598297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.598297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.598297 (E_RNA)
where:
Base-Base interactions energy: -446.203
where: short stacking energy: -267.781
Base-Backbone interact. energy: -1.766
local terms energy: -361.629564
where:
bonds (distance) C4'-P energy: -82.007
bonds (distance) P-C4' energy: -83.855
flat angles C4'-P-C4' energy: -90.410
flat angles P-C4'-P energy: -51.124
tors. eta vs tors. theta energy: -54.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -790.481408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.481408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.481408 (E_RNA)
where:
Base-Base interactions energy: -420.721
where: short stacking energy: -266.266
Base-Backbone interact. energy: 0.914
local terms energy: -370.674665
where:
bonds (distance) C4'-P energy: -85.448
bonds (distance) P-C4' energy: -84.876
flat angles C4'-P-C4' energy: -88.461
flat angles P-C4'-P energy: -47.458
tors. eta vs tors. theta energy: -64.432
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: 6, replica: 4
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -626.058368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.058368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.058368 (E_RNA)
where:
Base-Base interactions energy: -300.436
where: short stacking energy: -205.157
Base-Backbone interact. energy: 1.502
local terms energy: -327.123732
where:
bonds (distance) C4'-P energy: -86.317
bonds (distance) P-C4' energy: -79.973
flat angles C4'-P-C4' energy: -81.450
flat angles P-C4'-P energy: -45.864
tors. eta vs tors. theta energy: -33.520
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: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -447.398052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.398052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.398052 (E_RNA)
where:
Base-Base interactions energy: -165.829
where: short stacking energy: -138.270
Base-Backbone interact. energy: -1.939
local terms energy: -279.630149
where:
bonds (distance) C4'-P energy: -80.649
bonds (distance) P-C4' energy: -74.968
flat angles C4'-P-C4' energy: -67.832
flat angles P-C4'-P energy: -45.803
tors. eta vs tors. theta energy: -10.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -419.304659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.304659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.304659 (E_RNA)
where:
Base-Base interactions energy: -142.306
where: short stacking energy: -119.938
Base-Backbone interact. energy: -0.649
local terms energy: -276.349406
where:
bonds (distance) C4'-P energy: -87.153
bonds (distance) P-C4' energy: -83.333
flat angles C4'-P-C4' energy: -74.170
flat angles P-C4'-P energy: -31.934
tors. eta vs tors. theta energy: 0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -399.364490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.364490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.364490 (E_RNA)
where:
Base-Base interactions energy: -132.100
where: short stacking energy: -118.695
Base-Backbone interact. energy: 3.784
local terms energy: -271.048814
where:
bonds (distance) C4'-P energy: -65.424
bonds (distance) P-C4' energy: -77.918
flat angles C4'-P-C4' energy: -78.387
flat angles P-C4'-P energy: -49.149
tors. eta vs tors. theta energy: -0.170
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: 1
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -346.481653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.481653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.481653 (E_RNA)
where:
Base-Base interactions energy: -93.072
where: short stacking energy: -87.350
Base-Backbone interact. energy: 2.115
local terms energy: -255.524849
where:
bonds (distance) C4'-P energy: -87.318
bonds (distance) P-C4' energy: -85.491
flat angles C4'-P-C4' energy: -64.155
flat angles P-C4'-P energy: -38.142
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: 6
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1285.934605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.934605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.934605 (E_RNA)
where:
Base-Base interactions energy: -788.968
where: short stacking energy: -451.928
Base-Backbone interact. energy: -0.638
local terms energy: -496.328048
where:
bonds (distance) C4'-P energy: -79.899
bonds (distance) P-C4' energy: -87.640
flat angles C4'-P-C4' energy: -112.972
flat angles P-C4'-P energy: -70.374
tors. eta vs tors. theta energy: -145.443
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: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1195.105931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.105931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.105931 (E_RNA)
where:
Base-Base interactions energy: -711.146
where: short stacking energy: -431.043
Base-Backbone interact. energy: -0.630
local terms energy: -483.329592
where:
bonds (distance) C4'-P energy: -87.186
bonds (distance) P-C4' energy: -94.006
flat angles C4'-P-C4' energy: -108.674
flat angles P-C4'-P energy: -69.803
tors. eta vs tors. theta energy: -123.661
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: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -974.531126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.531126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.531126 (E_RNA)
where:
Base-Base interactions energy: -547.459
where: short stacking energy: -321.871
Base-Backbone interact. energy: -0.553
local terms energy: -426.518980
where:
bonds (distance) C4'-P energy: -96.435
bonds (distance) P-C4' energy: -94.397
flat angles C4'-P-C4' energy: -94.377
flat angles P-C4'-P energy: -63.223
tors. eta vs tors. theta energy: -78.087
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: 7
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -816.503379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.503379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.503379 (E_RNA)
where:
Base-Base interactions energy: -444.349
where: short stacking energy: -252.879
Base-Backbone interact. energy: 0.993
local terms energy: -373.147953
where:
bonds (distance) C4'-P energy: -81.815
bonds (distance) P-C4' energy: -90.416
flat angles C4'-P-C4' energy: -89.184
flat angles P-C4'-P energy: -60.451
tors. eta vs tors. theta energy: -51.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -754.537422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.537422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.537422 (E_RNA)
where:
Base-Base interactions energy: -399.778
where: short stacking energy: -245.923
Base-Backbone interact. energy: 1.840
local terms energy: -356.599821
where:
bonds (distance) C4'-P energy: -77.235
bonds (distance) P-C4' energy: -67.567
flat angles C4'-P-C4' energy: -85.294
flat angles P-C4'-P energy: -62.001
tors. eta vs tors. theta energy: -64.503
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: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -556.885947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.885947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.885947 (E_RNA)
where:
Base-Base interactions energy: -239.453
where: short stacking energy: -172.497
Base-Backbone interact. energy: -2.431
local terms energy: -315.002304
where:
bonds (distance) C4'-P energy: -90.040
bonds (distance) P-C4' energy: -84.621
flat angles C4'-P-C4' energy: -86.895
flat angles P-C4'-P energy: -41.318
tors. eta vs tors. theta energy: -12.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -472.032547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.032547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.032547 (E_RNA)
where:
Base-Base interactions energy: -158.735
where: short stacking energy: -143.920
Base-Backbone interact. energy: 0.392
local terms energy: -313.689875
where:
bonds (distance) C4'-P energy: -77.101
bonds (distance) P-C4' energy: -94.109
flat angles C4'-P-C4' energy: -85.186
flat angles P-C4'-P energy: -49.550
tors. eta vs tors. theta energy: -7.745
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: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -425.972798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.972798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.972798 (E_RNA)
where:
Base-Base interactions energy: -124.143
where: short stacking energy: -120.586
Base-Backbone interact. energy: 0.394
local terms energy: -302.224466
where:
bonds (distance) C4'-P energy: -79.501
bonds (distance) P-C4' energy: -84.813
flat angles C4'-P-C4' energy: -86.220
flat angles P-C4'-P energy: -51.572
tors. eta vs tors. theta energy: -0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -378.867520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.867520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.867520 (E_RNA)
where:
Base-Base interactions energy: -127.548
where: short stacking energy: -108.696
Base-Backbone interact. energy: 8.872
local terms energy: -260.191515
where:
bonds (distance) C4'-P energy: -70.605
bonds (distance) P-C4' energy: -78.089
flat angles C4'-P-C4' energy: -64.054
flat angles P-C4'-P energy: -45.067
tors. eta vs tors. theta energy: -2.377
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: 10, replica: 1
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -360.403948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.403948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.403948 (E_RNA)
where:
Base-Base interactions energy: -117.497
where: short stacking energy: -106.300
Base-Backbone interact. energy: -2.202
local terms energy: -240.705716
where:
bonds (distance) C4'-P energy: -78.764
bonds (distance) P-C4' energy: -86.300
flat angles C4'-P-C4' energy: -59.306
flat angles P-C4'-P energy: -22.906
tors. eta vs tors. theta energy: 6.570
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: 6
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1278.852546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.852546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.852546 (E_RNA)
where:
Base-Base interactions energy: -753.277
where: short stacking energy: -449.095
Base-Backbone interact. energy: 0.715
local terms energy: -526.291098
where:
bonds (distance) C4'-P energy: -99.982
bonds (distance) P-C4' energy: -97.642
flat angles C4'-P-C4' energy: -104.971
flat angles P-C4'-P energy: -85.070
tors. eta vs tors. theta energy: -138.627
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: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1166.538364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.538364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.538364 (E_RNA)
where:
Base-Base interactions energy: -682.855
where: short stacking energy: -433.456
Base-Backbone interact. energy: -1.180
local terms energy: -482.503712
where:
bonds (distance) C4'-P energy: -86.797
bonds (distance) P-C4' energy: -94.882
flat angles C4'-P-C4' energy: -102.897
flat angles P-C4'-P energy: -67.260
tors. eta vs tors. theta energy: -130.668
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: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -944.651100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.651100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.651100 (E_RNA)
where:
Base-Base interactions energy: -545.459
where: short stacking energy: -319.609
Base-Backbone interact. energy: -0.686
local terms energy: -398.506620
where:
bonds (distance) C4'-P energy: -77.447
bonds (distance) P-C4' energy: -74.136
flat angles C4'-P-C4' energy: -99.777
flat angles P-C4'-P energy: -65.433
tors. eta vs tors. theta energy: -81.713
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: 7
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -883.205104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.205104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.205104 (E_RNA)
where:
Base-Base interactions energy: -484.608
where: short stacking energy: -289.730
Base-Backbone interact. energy: -1.460
local terms energy: -397.136634
where:
bonds (distance) C4'-P energy: -97.115
bonds (distance) P-C4' energy: -81.094
flat angles C4'-P-C4' energy: -95.449
flat angles P-C4'-P energy: -56.999
tors. eta vs tors. theta energy: -66.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -741.237185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.237185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.237185 (E_RNA)
where:
Base-Base interactions energy: -402.217
where: short stacking energy: -228.395
Base-Backbone interact. energy: 0.278
local terms energy: -339.298192
where:
bonds (distance) C4'-P energy: -78.994
bonds (distance) P-C4' energy: -84.329
flat angles C4'-P-C4' energy: -81.472
flat angles P-C4'-P energy: -51.590
tors. eta vs tors. theta energy: -42.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -591.070352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.070352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.070352 (E_RNA)
where:
Base-Base interactions energy: -257.268
where: short stacking energy: -183.449
Base-Backbone interact. energy: -1.026
local terms energy: -332.775872
where:
bonds (distance) C4'-P energy: -70.213
bonds (distance) P-C4' energy: -95.674
flat angles C4'-P-C4' energy: -79.316
flat angles P-C4'-P energy: -54.354
tors. eta vs tors. theta energy: -33.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -474.346135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.346135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.346135 (E_RNA)
where:
Base-Base interactions energy: -178.297
where: short stacking energy: -133.849
Base-Backbone interact. energy: -1.642
local terms energy: -294.406703
where:
bonds (distance) C4'-P energy: -76.138
bonds (distance) P-C4' energy: -90.025
flat angles C4'-P-C4' energy: -88.040
flat angles P-C4'-P energy: -41.527
tors. eta vs tors. theta energy: 1.323
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: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -377.579676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.579676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.579676 (E_RNA)
where:
Base-Base interactions energy: -105.636
where: short stacking energy: -91.015
Base-Backbone interact. energy: -1.853
local terms energy: -270.090657
where:
bonds (distance) C4'-P energy: -85.199
bonds (distance) P-C4' energy: -88.937
flat angles C4'-P-C4' energy: -75.045
flat angles P-C4'-P energy: -47.254
tors. eta vs tors. theta energy: 26.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -399.789695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.789695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.789695 (E_RNA)
where:
Base-Base interactions energy: -168.090
where: short stacking energy: -93.953
Base-Backbone interact. energy: -1.981
local terms energy: -229.718558
where:
bonds (distance) C4'-P energy: -82.371
bonds (distance) P-C4' energy: -63.481
flat angles C4'-P-C4' energy: -74.396
flat angles P-C4'-P energy: -25.387
tors. eta vs tors. theta energy: 15.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -363.942134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.942134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.942134 (E_RNA)
where:
Base-Base interactions energy: -126.279
where: short stacking energy: -121.852
Base-Backbone interact. energy: 0.571
local terms energy: -238.234155
where:
bonds (distance) C4'-P energy: -69.336
bonds (distance) P-C4' energy: -75.496
flat angles C4'-P-C4' energy: -74.423
flat angles P-C4'-P energy: -23.785
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: 6
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1287.345753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.345753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.345753 (E_RNA)
where:
Base-Base interactions energy: -790.136
where: short stacking energy: -458.355
Base-Backbone interact. energy: -1.287
local terms energy: -495.922959
where:
bonds (distance) C4'-P energy: -89.899
bonds (distance) P-C4' energy: -91.954
flat angles C4'-P-C4' energy: -106.487
flat angles P-C4'-P energy: -70.987
tors. eta vs tors. theta energy: -136.595
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: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1167.902515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.902515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.902515 (E_RNA)
where:
Base-Base interactions energy: -688.056
where: short stacking energy: -427.583
Base-Backbone interact. energy: -0.715
local terms energy: -479.131672
where:
bonds (distance) C4'-P energy: -88.135
bonds (distance) P-C4' energy: -87.098
flat angles C4'-P-C4' energy: -102.063
flat angles P-C4'-P energy: -71.346
tors. eta vs tors. theta energy: -130.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -956.103990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.103990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.103990 (E_RNA)
where:
Base-Base interactions energy: -551.694
where: short stacking energy: -337.416
Base-Backbone interact. energy: -0.977
local terms energy: -403.433312
where:
bonds (distance) C4'-P energy: -70.600
bonds (distance) P-C4' energy: -86.354
flat angles C4'-P-C4' energy: -92.461
flat angles P-C4'-P energy: -66.300
tors. eta vs tors. theta energy: -87.719
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: 4, replica: 5
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -822.099778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.099778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.099778 (E_RNA)
where:
Base-Base interactions energy: -435.792
where: short stacking energy: -260.010
Base-Backbone interact. energy: -0.761
local terms energy: -385.546961
where:
bonds (distance) C4'-P energy: -77.433
bonds (distance) P-C4' energy: -94.162
flat angles C4'-P-C4' energy: -100.196
flat angles P-C4'-P energy: -50.896
tors. eta vs tors. theta energy: -62.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -770.859740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.859740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.859740 (E_RNA)
where:
Base-Base interactions energy: -403.976
where: short stacking energy: -258.913
Base-Backbone interact. energy: -0.072
local terms energy: -366.811554
where:
bonds (distance) C4'-P energy: -90.665
bonds (distance) P-C4' energy: -90.973
flat angles C4'-P-C4' energy: -74.604
flat angles P-C4'-P energy: -53.925
tors. eta vs tors. theta energy: -56.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -569.170901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.170901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.170901 (E_RNA)
where:
Base-Base interactions energy: -244.174
where: short stacking energy: -182.801
Base-Backbone interact. energy: 3.540
local terms energy: -328.536758
where:
bonds (distance) C4'-P energy: -80.149
bonds (distance) P-C4' energy: -95.901
flat angles C4'-P-C4' energy: -71.010
flat angles P-C4'-P energy: -51.321
tors. eta vs tors. theta energy: -30.156
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: 485
Temperature: 1.200000
Total energy: -469.893931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.893931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.893931 (E_RNA)
where:
Base-Base interactions energy: -191.929
where: short stacking energy: -144.085
Base-Backbone interact. energy: 1.704
local terms energy: -279.668975
where:
bonds (distance) C4'-P energy: -81.561
bonds (distance) P-C4' energy: -86.005
flat angles C4'-P-C4' energy: -74.911
flat angles P-C4'-P energy: -34.675
tors. eta vs tors. theta energy: -2.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -445.235221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.235221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.235221 (E_RNA)
where:
Base-Base interactions energy: -198.210
where: short stacking energy: -125.300
Base-Backbone interact. energy: 2.057
local terms energy: -249.081827
where:
bonds (distance) C4'-P energy: -71.113
bonds (distance) P-C4' energy: -81.637
flat angles C4'-P-C4' energy: -63.606
flat angles P-C4'-P energy: -29.394
tors. eta vs tors. theta energy: -3.332
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: 3
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -374.517064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.517064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.517064 (E_RNA)
where:
Base-Base interactions energy: -126.960
where: short stacking energy: -105.829
Base-Backbone interact. energy: -1.788
local terms energy: -245.768444
where:
bonds (distance) C4'-P energy: -63.121
bonds (distance) P-C4' energy: -93.388
flat angles C4'-P-C4' energy: -67.709
flat angles P-C4'-P energy: -41.963
tors. eta vs tors. theta energy: 20.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -332.841428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.841428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.841428 (E_RNA)
where:
Base-Base interactions energy: -98.045
where: short stacking energy: -83.912
Base-Backbone interact. energy: -2.613
local terms energy: -232.183749
where:
bonds (distance) C4'-P energy: -63.090
bonds (distance) P-C4' energy: -90.153
flat angles C4'-P-C4' energy: -57.531
flat angles P-C4'-P energy: -52.607
tors. eta vs tors. theta energy: 31.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1288.871899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.871899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.871899 (E_RNA)
where:
Base-Base interactions energy: -770.067
where: short stacking energy: -442.272
Base-Backbone interact. energy: -0.922
local terms energy: -517.882886
where:
bonds (distance) C4'-P energy: -90.668
bonds (distance) P-C4' energy: -95.685
flat angles C4'-P-C4' energy: -104.901
flat angles P-C4'-P energy: -77.792
tors. eta vs tors. theta energy: -148.836
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: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1159.747716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.747716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.747716 (E_RNA)
where:
Base-Base interactions energy: -704.434
where: short stacking energy: -437.430
Base-Backbone interact. energy: 1.244
local terms energy: -456.557315
where:
bonds (distance) C4'-P energy: -89.234
bonds (distance) P-C4' energy: -91.182
flat angles C4'-P-C4' energy: -93.912
flat angles P-C4'-P energy: -66.848
tors. eta vs tors. theta energy: -115.382
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: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -936.358234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.358234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.358234 (E_RNA)
where:
Base-Base interactions energy: -510.923
where: short stacking energy: -324.759
Base-Backbone interact. energy: 1.913
local terms energy: -427.348912
where:
bonds (distance) C4'-P energy: -87.204
bonds (distance) P-C4' energy: -93.766
flat angles C4'-P-C4' energy: -97.676
flat angles P-C4'-P energy: -65.502
tors. eta vs tors. theta energy: -83.202
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: 5
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -827.648168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.648168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.648168 (E_RNA)
where:
Base-Base interactions energy: -458.267
where: short stacking energy: -271.139
Base-Backbone interact. energy: -1.978
local terms energy: -367.403460
where:
bonds (distance) C4'-P energy: -84.591
bonds (distance) P-C4' energy: -85.726
flat angles C4'-P-C4' energy: -98.084
flat angles P-C4'-P energy: -42.707
tors. eta vs tors. theta energy: -56.297
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: 7
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -760.476321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.476321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.476321 (E_RNA)
where:
Base-Base interactions energy: -407.100
where: short stacking energy: -258.404
Base-Backbone interact. energy: -0.870
local terms energy: -352.505907
where:
bonds (distance) C4'-P energy: -78.056
bonds (distance) P-C4' energy: -88.703
flat angles C4'-P-C4' energy: -80.001
flat angles P-C4'-P energy: -50.855
tors. eta vs tors. theta energy: -54.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -612.622761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.622761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.622761 (E_RNA)
where:
Base-Base interactions energy: -278.266
where: short stacking energy: -207.399
Base-Backbone interact. energy: 1.415
local terms energy: -335.772109
where:
bonds (distance) C4'-P energy: -85.549
bonds (distance) P-C4' energy: -75.732
flat angles C4'-P-C4' energy: -79.500
flat angles P-C4'-P energy: -49.264
tors. eta vs tors. theta energy: -45.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -520.025727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.025727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.025727 (E_RNA)
where:
Base-Base interactions energy: -230.243
where: short stacking energy: -150.892
Base-Backbone interact. energy: 1.331
local terms energy: -291.113203
where:
bonds (distance) C4'-P energy: -90.083
bonds (distance) P-C4' energy: -83.384
flat angles C4'-P-C4' energy: -67.287
flat angles P-C4'-P energy: -43.869
tors. eta vs tors. theta energy: -6.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -412.745547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.745547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.745547 (E_RNA)
where:
Base-Base interactions energy: -142.064
where: short stacking energy: -133.508
Base-Backbone interact. energy: -1.178
local terms energy: -269.502800
where:
bonds (distance) C4'-P energy: -74.945
bonds (distance) P-C4' energy: -75.843
flat angles C4'-P-C4' energy: -81.261
flat angles P-C4'-P energy: -36.925
tors. eta vs tors. theta energy: -0.529
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: 9, replica: 3
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -378.770047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.770047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.770047 (E_RNA)
where:
Base-Base interactions energy: -120.547
where: short stacking energy: -108.492
Base-Backbone interact. energy: 1.467
local terms energy: -259.690237
where:
bonds (distance) C4'-P energy: -68.876
bonds (distance) P-C4' energy: -82.839
flat angles C4'-P-C4' energy: -60.790
flat angles P-C4'-P energy: -56.909
tors. eta vs tors. theta energy: 9.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -354.226331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.226331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.226331 (E_RNA)
where:
Base-Base interactions energy: -143.556
where: short stacking energy: -126.810
Base-Backbone interact. energy: 6.626
local terms energy: -217.296387
where:
bonds (distance) C4'-P energy: -78.856
bonds (distance) P-C4' energy: -72.326
flat angles C4'-P-C4' energy: -68.807
flat angles P-C4'-P energy: -24.727
tors. eta vs tors. theta energy: 27.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1273.781605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.781605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.781605 (E_RNA)
where:
Base-Base interactions energy: -783.152
where: short stacking energy: -449.330
Base-Backbone interact. energy: -0.808
local terms energy: -489.821514
where:
bonds (distance) C4'-P energy: -87.661
bonds (distance) P-C4' energy: -91.448
flat angles C4'-P-C4' energy: -101.690
flat angles P-C4'-P energy: -63.124
tors. eta vs tors. theta energy: -145.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1127.759798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.759798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.759798 (E_RNA)
where:
Base-Base interactions energy: -662.223
where: short stacking energy: -394.406
Base-Backbone interact. energy: -1.771
local terms energy: -463.766410
where:
bonds (distance) C4'-P energy: -88.039
bonds (distance) P-C4' energy: -90.098
flat angles C4'-P-C4' energy: -93.567
flat angles P-C4'-P energy: -78.386
tors. eta vs tors. theta energy: -113.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -934.763330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.763330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.763330 (E_RNA)
where:
Base-Base interactions energy: -508.516
where: short stacking energy: -311.241
Base-Backbone interact. energy: -0.185
local terms energy: -426.061956
where:
bonds (distance) C4'-P energy: -92.996
bonds (distance) P-C4' energy: -93.416
flat angles C4'-P-C4' energy: -99.272
flat angles P-C4'-P energy: -54.813
tors. eta vs tors. theta energy: -85.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -771.717283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.717283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.717283 (E_RNA)
where:
Base-Base interactions energy: -390.581
where: short stacking energy: -241.550
Base-Backbone interact. energy: -1.118
local terms energy: -380.018513
where:
bonds (distance) C4'-P energy: -94.131
bonds (distance) P-C4' energy: -93.724
flat angles C4'-P-C4' energy: -91.413
flat angles P-C4'-P energy: -61.396
tors. eta vs tors. theta energy: -39.355
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: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -784.189110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.189110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.189110 (E_RNA)
where:
Base-Base interactions energy: -402.424
where: short stacking energy: -259.404
Base-Backbone interact. energy: -1.255
local terms energy: -380.510175
where:
bonds (distance) C4'-P energy: -91.417
bonds (distance) P-C4' energy: -86.130
flat angles C4'-P-C4' energy: -92.050
flat angles P-C4'-P energy: -56.503
tors. eta vs tors. theta energy: -54.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -565.619441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.619441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.619441 (E_RNA)
where:
Base-Base interactions energy: -267.647
where: short stacking energy: -188.723
Base-Backbone interact. energy: -1.407
local terms energy: -296.566097
where:
bonds (distance) C4'-P energy: -79.808
bonds (distance) P-C4' energy: -83.344
flat angles C4'-P-C4' energy: -74.741
flat angles P-C4'-P energy: -52.097
tors. eta vs tors. theta energy: -6.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -482.769573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.769573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.769573 (E_RNA)
where:
Base-Base interactions energy: -203.575
where: short stacking energy: -130.260
Base-Backbone interact. energy: 0.908
local terms energy: -280.101811
where:
bonds (distance) C4'-P energy: -94.485
bonds (distance) P-C4' energy: -89.706
flat angles C4'-P-C4' energy: -67.678
flat angles P-C4'-P energy: -40.688
tors. eta vs tors. theta energy: 12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -396.179014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.179014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.179014 (E_RNA)
where:
Base-Base interactions energy: -138.355
where: short stacking energy: -116.641
Base-Backbone interact. energy: 1.977
local terms energy: -259.801028
where:
bonds (distance) C4'-P energy: -75.947
bonds (distance) P-C4' energy: -70.963
flat angles C4'-P-C4' energy: -71.417
flat angles P-C4'-P energy: -44.014
tors. eta vs tors. theta energy: 2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -367.220234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.220234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.220234 (E_RNA)
where:
Base-Base interactions energy: -108.483
where: short stacking energy: -100.550
Base-Backbone interact. energy: -0.547
local terms energy: -258.190005
where:
bonds (distance) C4'-P energy: -79.493
bonds (distance) P-C4' energy: -95.611
flat angles C4'-P-C4' energy: -56.300
flat angles P-C4'-P energy: -43.867
tors. eta vs tors. theta energy: 17.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -352.514309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.514309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.514309 (E_RNA)
where:
Base-Base interactions energy: -120.677
where: short stacking energy: -103.668
Base-Backbone interact. energy: -1.002
local terms energy: -230.835778
where:
bonds (distance) C4'-P energy: -71.782
bonds (distance) P-C4' energy: -76.826
flat angles C4'-P-C4' energy: -57.423
flat angles P-C4'-P energy: -43.703
tors. eta vs tors. theta energy: 18.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1280.883958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.883958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.883958 (E_RNA)
where:
Base-Base interactions energy: -772.158
where: short stacking energy: -452.729
Base-Backbone interact. energy: -0.708
local terms energy: -508.018263
where:
bonds (distance) C4'-P energy: -85.371
bonds (distance) P-C4' energy: -97.420
flat angles C4'-P-C4' energy: -106.603
flat angles P-C4'-P energy: -72.933
tors. eta vs tors. theta energy: -145.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1188.923355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.923355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.923355 (E_RNA)
where:
Base-Base interactions energy: -707.306
where: short stacking energy: -433.164
Base-Backbone interact. energy: -2.006
local terms energy: -479.611109
where:
bonds (distance) C4'-P energy: -93.562
bonds (distance) P-C4' energy: -92.964
flat angles C4'-P-C4' energy: -98.025
flat angles P-C4'-P energy: -58.450
tors. eta vs tors. theta energy: -136.610
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: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -959.351387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.351387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.351387 (E_RNA)
where:
Base-Base interactions energy: -529.971
where: short stacking energy: -350.335
Base-Backbone interact. energy: -1.827
local terms energy: -427.553413
where:
bonds (distance) C4'-P energy: -85.020
bonds (distance) P-C4' energy: -82.239
flat angles C4'-P-C4' energy: -101.975
flat angles P-C4'-P energy: -61.507
tors. eta vs tors. theta energy: -96.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -765.795233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.795233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.795233 (E_RNA)
where:
Base-Base interactions energy: -389.124
where: short stacking energy: -250.424
Base-Backbone interact. energy: -0.771
local terms energy: -375.900842
where:
bonds (distance) C4'-P energy: -80.568
bonds (distance) P-C4' energy: -92.656
flat angles C4'-P-C4' energy: -89.235
flat angles P-C4'-P energy: -66.058
tors. eta vs tors. theta energy: -47.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -699.252796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.252796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.252796 (E_RNA)
where:
Base-Base interactions energy: -386.562
where: short stacking energy: -232.559
Base-Backbone interact. energy: -1.794
local terms energy: -310.896580
where:
bonds (distance) C4'-P energy: -75.725
bonds (distance) P-C4' energy: -79.460
flat angles C4'-P-C4' energy: -81.807
flat angles P-C4'-P energy: -41.456
tors. eta vs tors. theta energy: -32.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -626.407590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.407590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.407590 (E_RNA)
where:
Base-Base interactions energy: -275.013
where: short stacking energy: -215.281
Base-Backbone interact. energy: 3.751
local terms energy: -355.145294
where:
bonds (distance) C4'-P energy: -84.177
bonds (distance) P-C4' energy: -87.841
flat angles C4'-P-C4' energy: -87.916
flat angles P-C4'-P energy: -46.421
tors. eta vs tors. theta energy: -48.790
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: 8
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -461.756496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.756496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.756496 (E_RNA)
where:
Base-Base interactions energy: -170.044
where: short stacking energy: -143.053
Base-Backbone interact. energy: -3.998
local terms energy: -287.714801
where:
bonds (distance) C4'-P energy: -75.381
bonds (distance) P-C4' energy: -88.944
flat angles C4'-P-C4' energy: -70.502
flat angles P-C4'-P energy: -47.533
tors. eta vs tors. theta energy: -5.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -416.715669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.715669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.715669 (E_RNA)
where:
Base-Base interactions energy: -140.171
where: short stacking energy: -114.932
Base-Backbone interact. energy: -0.232
local terms energy: -276.312210
where:
bonds (distance) C4'-P energy: -77.533
bonds (distance) P-C4' energy: -69.961
flat angles C4'-P-C4' energy: -82.694
flat angles P-C4'-P energy: -55.009
tors. eta vs tors. theta energy: 8.885
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: 3
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -399.906987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.906987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.906987 (E_RNA)
where:
Base-Base interactions energy: -134.614
where: short stacking energy: -130.820
Base-Backbone interact. energy: 0.605
local terms energy: -265.898291
where:
bonds (distance) C4'-P energy: -58.898
bonds (distance) P-C4' energy: -97.329
flat angles C4'-P-C4' energy: -74.682
flat angles P-C4'-P energy: -24.285
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: 9
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -352.862291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.862291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.862291 (E_RNA)
where:
Base-Base interactions energy: -103.745
where: short stacking energy: -96.671
Base-Backbone interact. energy: -1.148
local terms energy: -247.969335
where:
bonds (distance) C4'-P energy: -76.364
bonds (distance) P-C4' energy: -83.067
flat angles C4'-P-C4' energy: -76.152
flat angles P-C4'-P energy: -26.709
tors. eta vs tors. theta energy: 14.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1297.800596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.800596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.800596 (E_RNA)
where:
Base-Base interactions energy: -781.725
where: short stacking energy: -443.903
Base-Backbone interact. energy: -1.831
local terms energy: -514.244017
where:
bonds (distance) C4'-P energy: -92.772
bonds (distance) P-C4' energy: -105.398
flat angles C4'-P-C4' energy: -103.842
flat angles P-C4'-P energy: -66.518
tors. eta vs tors. theta energy: -145.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1169.460850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.460850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.460850 (E_RNA)
where:
Base-Base interactions energy: -678.028
where: short stacking energy: -425.995
Base-Backbone interact. energy: -0.974
local terms energy: -490.458545
where:
bonds (distance) C4'-P energy: -79.546
bonds (distance) P-C4' energy: -104.331
flat angles C4'-P-C4' energy: -112.383
flat angles P-C4'-P energy: -64.417
tors. eta vs tors. theta energy: -129.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -942.129660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.129660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.129660 (E_RNA)
where:
Base-Base interactions energy: -522.878
where: short stacking energy: -336.345
Base-Backbone interact. energy: -1.899
local terms energy: -417.352493
where:
bonds (distance) C4'-P energy: -85.414
bonds (distance) P-C4' energy: -83.968
flat angles C4'-P-C4' energy: -96.640
flat angles P-C4'-P energy: -61.085
tors. eta vs tors. theta energy: -90.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -760.103334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.103334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.103334 (E_RNA)
where:
Base-Base interactions energy: -389.794
where: short stacking energy: -257.560
Base-Backbone interact. energy: 1.345
local terms energy: -371.654046
where:
bonds (distance) C4'-P energy: -82.618
bonds (distance) P-C4' energy: -90.808
flat angles C4'-P-C4' energy: -91.347
flat angles P-C4'-P energy: -56.201
tors. eta vs tors. theta energy: -50.680
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: 5, replica: 7
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -751.801711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.801711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.801711 (E_RNA)
where:
Base-Base interactions energy: -389.310
where: short stacking energy: -254.191
Base-Backbone interact. energy: 0.117
local terms energy: -362.608953
where:
bonds (distance) C4'-P energy: -75.073
bonds (distance) P-C4' energy: -85.146
flat angles C4'-P-C4' energy: -103.682
flat angles P-C4'-P energy: -41.638
tors. eta vs tors. theta energy: -57.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -622.428914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.428914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.428914 (E_RNA)
where:
Base-Base interactions energy: -288.752
where: short stacking energy: -200.460
Base-Backbone interact. energy: -0.127
local terms energy: -333.550320
where:
bonds (distance) C4'-P energy: -80.217
bonds (distance) P-C4' energy: -80.856
flat angles C4'-P-C4' energy: -90.594
flat angles P-C4'-P energy: -48.627
tors. eta vs tors. theta energy: -33.256
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: 489
Temperature: 1.200000
Total energy: -468.782581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.782581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.782581 (E_RNA)
where:
Base-Base interactions energy: -178.642
where: short stacking energy: -159.617
Base-Backbone interact. energy: -1.259
local terms energy: -288.881086
where:
bonds (distance) C4'-P energy: -72.487
bonds (distance) P-C4' energy: -85.980
flat angles C4'-P-C4' energy: -84.395
flat angles P-C4'-P energy: -34.212
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: 8, replica: 3
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -403.870933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.870933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.870933 (E_RNA)
where:
Base-Base interactions energy: -126.915
where: short stacking energy: -115.178
Base-Backbone interact. energy: 0.165
local terms energy: -277.120342
where:
bonds (distance) C4'-P energy: -85.693
bonds (distance) P-C4' energy: -88.214
flat angles C4'-P-C4' energy: -81.350
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -10.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -378.272154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.272154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.272154 (E_RNA)
where:
Base-Base interactions energy: -136.781
where: short stacking energy: -125.725
Base-Backbone interact. energy: 1.006
local terms energy: -242.498012
where:
bonds (distance) C4'-P energy: -72.024
bonds (distance) P-C4' energy: -76.555
flat angles C4'-P-C4' energy: -71.315
flat angles P-C4'-P energy: -28.653
tors. eta vs tors. theta energy: 6.050
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: 489
Temperature: 1.350000
Total energy: -366.361776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.361776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.361776 (E_RNA)
where:
Base-Base interactions energy: -109.977
where: short stacking energy: -79.598
Base-Backbone interact. energy: 10.383
local terms energy: -266.767077
where:
bonds (distance) C4'-P energy: -80.386
bonds (distance) P-C4' energy: -78.830
flat angles C4'-P-C4' energy: -66.499
flat angles P-C4'-P energy: -52.253
tors. eta vs tors. theta energy: 11.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1283.577731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.577731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.577731 (E_RNA)
where:
Base-Base interactions energy: -796.567
where: short stacking energy: -473.577
Base-Backbone interact. energy: 2.540
local terms energy: -489.551278
where:
bonds (distance) C4'-P energy: -83.545
bonds (distance) P-C4' energy: -94.708
flat angles C4'-P-C4' energy: -101.216
flat angles P-C4'-P energy: -68.306
tors. eta vs tors. theta energy: -141.776
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: 490
Temperature: 0.950000
Total energy: -1130.494378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.494378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.494378 (E_RNA)
where:
Base-Base interactions energy: -676.649
where: short stacking energy: -435.152
Base-Backbone interact. energy: -1.056
local terms energy: -452.789570
where:
bonds (distance) C4'-P energy: -77.917
bonds (distance) P-C4' energy: -92.368
flat angles C4'-P-C4' energy: -94.173
flat angles P-C4'-P energy: -66.048
tors. eta vs tors. theta energy: -122.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -940.405504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.405504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.405504 (E_RNA)
where:
Base-Base interactions energy: -508.980
where: short stacking energy: -310.962
Base-Backbone interact. energy: -0.468
local terms energy: -430.957583
where:
bonds (distance) C4'-P energy: -83.802
bonds (distance) P-C4' energy: -95.886
flat angles C4'-P-C4' energy: -99.096
flat angles P-C4'-P energy: -76.776
tors. eta vs tors. theta energy: -75.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -819.910288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.910288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.910288 (E_RNA)
where:
Base-Base interactions energy: -421.721
where: short stacking energy: -272.869
Base-Backbone interact. energy: 0.464
local terms energy: -398.653061
where:
bonds (distance) C4'-P energy: -87.139
bonds (distance) P-C4' energy: -87.579
flat angles C4'-P-C4' energy: -95.175
flat angles P-C4'-P energy: -59.961
tors. eta vs tors. theta energy: -68.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -760.985162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.985162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.985162 (E_RNA)
where:
Base-Base interactions energy: -404.871
where: short stacking energy: -251.118
Base-Backbone interact. energy: 0.073
local terms energy: -356.187272
where:
bonds (distance) C4'-P energy: -84.242
bonds (distance) P-C4' energy: -96.700
flat angles C4'-P-C4' energy: -79.044
flat angles P-C4'-P energy: -41.702
tors. eta vs tors. theta energy: -54.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -622.425301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.425301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.425301 (E_RNA)
where:
Base-Base interactions energy: -309.654
where: short stacking energy: -209.016
Base-Backbone interact. energy: -1.553
local terms energy: -311.218664
where:
bonds (distance) C4'-P energy: -81.917
bonds (distance) P-C4' energy: -80.026
flat angles C4'-P-C4' energy: -75.936
flat angles P-C4'-P energy: -43.884
tors. eta vs tors. theta energy: -29.456
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: 7, replica: 3
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -469.814342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.814342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.814342 (E_RNA)
where:
Base-Base interactions energy: -177.329
where: short stacking energy: -158.796
Base-Backbone interact. energy: 3.829
local terms energy: -296.314401
where:
bonds (distance) C4'-P energy: -85.335
bonds (distance) P-C4' energy: -91.266
flat angles C4'-P-C4' energy: -63.083
flat angles P-C4'-P energy: -44.638
tors. eta vs tors. theta energy: -11.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -404.104280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.104280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.104280 (E_RNA)
where:
Base-Base interactions energy: -139.605
where: short stacking energy: -109.435
Base-Backbone interact. energy: 1.284
local terms energy: -265.783211
where:
bonds (distance) C4'-P energy: -81.424
bonds (distance) P-C4' energy: -90.253
flat angles C4'-P-C4' energy: -65.739
flat angles P-C4'-P energy: -38.733
tors. eta vs tors. theta energy: 10.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -369.315644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.315644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.315644 (E_RNA)
where:
Base-Base interactions energy: -94.022
where: short stacking energy: -83.488
Base-Backbone interact. energy: 4.423
local terms energy: -279.716494
where:
bonds (distance) C4'-P energy: -90.404
bonds (distance) P-C4' energy: -92.779
flat angles C4'-P-C4' energy: -77.686
flat angles P-C4'-P energy: -38.425
tors. eta vs tors. theta energy: 19.577
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: 10, replica: 1
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -351.402254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.402254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.402254 (E_RNA)
where:
Base-Base interactions energy: -111.191
where: short stacking energy: -101.111
Base-Backbone interact. energy: 1.705
local terms energy: -241.916287
where:
bonds (distance) C4'-P energy: -55.429
bonds (distance) P-C4' energy: -77.602
flat angles C4'-P-C4' energy: -59.716
flat angles P-C4'-P energy: -45.939
tors. eta vs tors. theta energy: -3.230
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: 6
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1253.575978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.575978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.575978 (E_RNA)
where:
Base-Base interactions energy: -737.891
where: short stacking energy: -432.394
Base-Backbone interact. energy: 3.520
local terms energy: -519.205234
where:
bonds (distance) C4'-P energy: -100.404
bonds (distance) P-C4' energy: -98.343
flat angles C4'-P-C4' energy: -108.970
flat angles P-C4'-P energy: -74.316
tors. eta vs tors. theta energy: -137.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1153.970915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.970915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.970915 (E_RNA)
where:
Base-Base interactions energy: -678.048
where: short stacking energy: -409.327
Base-Backbone interact. energy: 2.455
local terms energy: -478.377470
where:
bonds (distance) C4'-P energy: -91.779
bonds (distance) P-C4' energy: -81.089
flat angles C4'-P-C4' energy: -108.760
flat angles P-C4'-P energy: -67.577
tors. eta vs tors. theta energy: -129.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -951.714606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.714606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.714606 (E_RNA)
where:
Base-Base interactions energy: -525.177
where: short stacking energy: -330.828
Base-Backbone interact. energy: -0.623
local terms energy: -425.914257
where:
bonds (distance) C4'-P energy: -84.551
bonds (distance) P-C4' energy: -102.836
flat angles C4'-P-C4' energy: -90.143
flat angles P-C4'-P energy: -65.031
tors. eta vs tors. theta energy: -83.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -804.267125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.267125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.267125 (E_RNA)
where:
Base-Base interactions energy: -414.493
where: short stacking energy: -282.976
Base-Backbone interact. energy: 0.722
local terms energy: -390.496839
where:
bonds (distance) C4'-P energy: -76.985
bonds (distance) P-C4' energy: -92.563
flat angles C4'-P-C4' energy: -88.761
flat angles P-C4'-P energy: -56.422
tors. eta vs tors. theta energy: -75.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -722.545253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.545253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.545253 (E_RNA)
where:
Base-Base interactions energy: -396.458
where: short stacking energy: -207.580
Base-Backbone interact. energy: 0.483
local terms energy: -326.570411
where:
bonds (distance) C4'-P energy: -91.490
bonds (distance) P-C4' energy: -88.558
flat angles C4'-P-C4' energy: -85.927
flat angles P-C4'-P energy: -47.969
tors. eta vs tors. theta energy: -12.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -611.447311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.447311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.447311 (E_RNA)
where:
Base-Base interactions energy: -302.590
where: short stacking energy: -215.399
Base-Backbone interact. energy: -2.633
local terms energy: -306.224194
where:
bonds (distance) C4'-P energy: -76.476
bonds (distance) P-C4' energy: -76.917
flat angles C4'-P-C4' energy: -69.477
flat angles P-C4'-P energy: -51.590
tors. eta vs tors. theta energy: -31.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -450.335399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.335399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.335399 (E_RNA)
where:
Base-Base interactions energy: -151.858
where: short stacking energy: -141.863
Base-Backbone interact. energy: 0.771
local terms energy: -299.249047
where:
bonds (distance) C4'-P energy: -78.364
bonds (distance) P-C4' energy: -88.631
flat angles C4'-P-C4' energy: -66.653
flat angles P-C4'-P energy: -50.487
tors. eta vs tors. theta energy: -15.115
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: 8, replica: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -427.227263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.227263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.227263 (E_RNA)
where:
Base-Base interactions energy: -156.180
where: short stacking energy: -123.521
Base-Backbone interact. energy: -1.576
local terms energy: -269.470654
where:
bonds (distance) C4'-P energy: -71.997
bonds (distance) P-C4' energy: -87.625
flat angles C4'-P-C4' energy: -70.396
flat angles P-C4'-P energy: -42.688
tors. eta vs tors. theta energy: 3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -370.577149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.577149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.577149 (E_RNA)
where:
Base-Base interactions energy: -121.862
where: short stacking energy: -93.848
Base-Backbone interact. energy: 5.775
local terms energy: -254.489836
where:
bonds (distance) C4'-P energy: -91.018
bonds (distance) P-C4' energy: -80.254
flat angles C4'-P-C4' energy: -61.514
flat angles P-C4'-P energy: -40.157
tors. eta vs tors. theta energy: 18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -341.678769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.678769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.678769 (E_RNA)
where:
Base-Base interactions energy: -117.177
where: short stacking energy: -98.691
Base-Backbone interact. energy: -2.731
local terms energy: -221.770039
where:
bonds (distance) C4'-P energy: -75.974
bonds (distance) P-C4' energy: -74.977
flat angles C4'-P-C4' energy: -64.536
flat angles P-C4'-P energy: -26.369
tors. eta vs tors. theta energy: 20.087
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: 6
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1250.338493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.338493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.338493 (E_RNA)
where:
Base-Base interactions energy: -749.332
where: short stacking energy: -452.311
Base-Backbone interact. energy: -0.188
local terms energy: -500.819300
where:
bonds (distance) C4'-P energy: -84.049
bonds (distance) P-C4' energy: -99.974
flat angles C4'-P-C4' energy: -109.786
flat angles P-C4'-P energy: -69.362
tors. eta vs tors. theta energy: -137.649
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: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1216.670478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.670478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.670478 (E_RNA)
where:
Base-Base interactions energy: -722.520
where: short stacking energy: -426.057
Base-Backbone interact. energy: -0.802
local terms energy: -493.348353
where:
bonds (distance) C4'-P energy: -91.672
bonds (distance) P-C4' energy: -96.036
flat angles C4'-P-C4' energy: -105.937
flat angles P-C4'-P energy: -72.508
tors. eta vs tors. theta energy: -127.195
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: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -984.047943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.047943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.047943 (E_RNA)
where:
Base-Base interactions energy: -570.986
where: short stacking energy: -332.005
Base-Backbone interact. energy: 0.143
local terms energy: -413.204785
where:
bonds (distance) C4'-P energy: -86.933
bonds (distance) P-C4' energy: -85.919
flat angles C4'-P-C4' energy: -89.459
flat angles P-C4'-P energy: -67.193
tors. eta vs tors. theta energy: -83.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -790.177359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.177359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.177359 (E_RNA)
where:
Base-Base interactions energy: -408.807
where: short stacking energy: -269.186
Base-Backbone interact. energy: -0.982
local terms energy: -380.388553
where:
bonds (distance) C4'-P energy: -93.465
bonds (distance) P-C4' energy: -85.437
flat angles C4'-P-C4' energy: -85.635
flat angles P-C4'-P energy: -54.096
tors. eta vs tors. theta energy: -61.756
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: 492
Temperature: 1.100000
Total energy: -714.228372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.228372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.228372 (E_RNA)
where:
Base-Base interactions energy: -375.444
where: short stacking energy: -224.189
Base-Backbone interact. energy: 0.918
local terms energy: -339.703239
where:
bonds (distance) C4'-P energy: -87.762
bonds (distance) P-C4' energy: -80.577
flat angles C4'-P-C4' energy: -87.884
flat angles P-C4'-P energy: -34.018
tors. eta vs tors. theta energy: -49.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -630.244560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.244560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.244560 (E_RNA)
where:
Base-Base interactions energy: -303.607
where: short stacking energy: -200.154
Base-Backbone interact. energy: -0.160
local terms energy: -326.477611
where:
bonds (distance) C4'-P energy: -77.868
bonds (distance) P-C4' energy: -75.973
flat angles C4'-P-C4' energy: -87.312
flat angles P-C4'-P energy: -46.683
tors. eta vs tors. theta energy: -38.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -440.188122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.188122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.188122 (E_RNA)
where:
Base-Base interactions energy: -164.447
where: short stacking energy: -155.597
Base-Backbone interact. energy: -1.385
local terms energy: -274.356509
where:
bonds (distance) C4'-P energy: -46.588
bonds (distance) P-C4' energy: -89.504
flat angles C4'-P-C4' energy: -82.069
flat angles P-C4'-P energy: -44.125
tors. eta vs tors. theta energy: -12.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -422.148324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.148324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.148324 (E_RNA)
where:
Base-Base interactions energy: -128.177
where: short stacking energy: -120.454
Base-Backbone interact. energy: 3.727
local terms energy: -297.698741
where:
bonds (distance) C4'-P energy: -71.649
bonds (distance) P-C4' energy: -87.996
flat angles C4'-P-C4' energy: -87.834
flat angles P-C4'-P energy: -44.178
tors. eta vs tors. theta energy: -6.041
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: 492
Temperature: 1.300000
Total energy: -443.048642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.048642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.048642 (E_RNA)
where:
Base-Base interactions energy: -150.451
where: short stacking energy: -133.511
Base-Backbone interact. energy: 5.668
local terms energy: -298.265207
where:
bonds (distance) C4'-P energy: -86.102
bonds (distance) P-C4' energy: -89.358
flat angles C4'-P-C4' energy: -56.969
flat angles P-C4'-P energy: -54.969
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: 1
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -362.534749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.534749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.534749 (E_RNA)
where:
Base-Base interactions energy: -119.477
where: short stacking energy: -107.897
Base-Backbone interact. energy: 0.337
local terms energy: -243.394031
where:
bonds (distance) C4'-P energy: -80.041
bonds (distance) P-C4' energy: -73.870
flat angles C4'-P-C4' energy: -60.835
flat angles P-C4'-P energy: -35.081
tors. eta vs tors. theta energy: 6.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1273.234928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.234928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.234928 (E_RNA)
where:
Base-Base interactions energy: -774.867
where: short stacking energy: -446.803
Base-Backbone interact. energy: 1.620
local terms energy: -499.988232
where:
bonds (distance) C4'-P energy: -89.875
bonds (distance) P-C4' energy: -93.145
flat angles C4'-P-C4' energy: -104.145
flat angles P-C4'-P energy: -70.513
tors. eta vs tors. theta energy: -142.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1198.671884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.671884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.671884 (E_RNA)
where:
Base-Base interactions energy: -713.927
where: short stacking energy: -438.001
Base-Backbone interact. energy: -1.117
local terms energy: -483.627183
where:
bonds (distance) C4'-P energy: -80.776
bonds (distance) P-C4' energy: -98.544
flat angles C4'-P-C4' energy: -104.675
flat angles P-C4'-P energy: -73.046
tors. eta vs tors. theta energy: -126.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -939.977863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.977863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.977863 (E_RNA)
where:
Base-Base interactions energy: -520.613
where: short stacking energy: -329.736
Base-Backbone interact. energy: 0.618
local terms energy: -419.982486
where:
bonds (distance) C4'-P energy: -76.123
bonds (distance) P-C4' energy: -91.194
flat angles C4'-P-C4' energy: -86.679
flat angles P-C4'-P energy: -75.149
tors. eta vs tors. theta energy: -90.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -812.107677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.107677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.107677 (E_RNA)
where:
Base-Base interactions energy: -404.759
where: short stacking energy: -285.200
Base-Backbone interact. energy: -0.370
local terms energy: -406.978979
where:
bonds (distance) C4'-P energy: -97.504
bonds (distance) P-C4' energy: -92.773
flat angles C4'-P-C4' energy: -89.502
flat angles P-C4'-P energy: -54.732
tors. eta vs tors. theta energy: -72.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -715.318672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.318672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.318672 (E_RNA)
where:
Base-Base interactions energy: -361.515
where: short stacking energy: -232.605
Base-Backbone interact. energy: -2.325
local terms energy: -351.478805
where:
bonds (distance) C4'-P energy: -84.860
bonds (distance) P-C4' energy: -95.766
flat angles C4'-P-C4' energy: -80.910
flat angles P-C4'-P energy: -53.852
tors. eta vs tors. theta energy: -36.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -608.146903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.146903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.146903 (E_RNA)
where:
Base-Base interactions energy: -294.661
where: short stacking energy: -166.102
Base-Backbone interact. energy: 2.544
local terms energy: -316.029858
where:
bonds (distance) C4'-P energy: -92.272
bonds (distance) P-C4' energy: -80.771
flat angles C4'-P-C4' energy: -72.514
flat angles P-C4'-P energy: -57.304
tors. eta vs tors. theta energy: -13.168
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: 3
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -490.581531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.581531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.581531 (E_RNA)
where:
Base-Base interactions energy: -179.476
where: short stacking energy: -153.716
Base-Backbone interact. energy: 0.616
local terms energy: -311.721187
where:
bonds (distance) C4'-P energy: -83.370
bonds (distance) P-C4' energy: -85.202
flat angles C4'-P-C4' energy: -71.450
flat angles P-C4'-P energy: -46.271
tors. eta vs tors. theta energy: -25.428
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: 9
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -411.874399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.874399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.874399 (E_RNA)
where:
Base-Base interactions energy: -147.356
where: short stacking energy: -114.395
Base-Backbone interact. energy: -0.165
local terms energy: -264.353447
where:
bonds (distance) C4'-P energy: -87.320
bonds (distance) P-C4' energy: -80.866
flat angles C4'-P-C4' energy: -50.565
flat angles P-C4'-P energy: -35.140
tors. eta vs tors. theta energy: -10.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -385.078521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.078521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.078521 (E_RNA)
where:
Base-Base interactions energy: -125.188
where: short stacking energy: -106.312
Base-Backbone interact. energy: 0.719
local terms energy: -260.609896
where:
bonds (distance) C4'-P energy: -68.784
bonds (distance) P-C4' energy: -83.486
flat angles C4'-P-C4' energy: -73.507
flat angles P-C4'-P energy: -40.443
tors. eta vs tors. theta energy: 5.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -365.509950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.509950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.509950 (E_RNA)
where:
Base-Base interactions energy: -128.322
where: short stacking energy: -100.338
Base-Backbone interact. energy: -0.876
local terms energy: -236.311914
where:
bonds (distance) C4'-P energy: -63.586
bonds (distance) P-C4' energy: -76.762
flat angles C4'-P-C4' energy: -67.267
flat angles P-C4'-P energy: -37.180
tors. eta vs tors. theta energy: 8.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1258.425259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.425259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.425259 (E_RNA)
where:
Base-Base interactions energy: -744.578
where: short stacking energy: -426.665
Base-Backbone interact. energy: -0.441
local terms energy: -513.406387
where:
bonds (distance) C4'-P energy: -94.872
bonds (distance) P-C4' energy: -101.137
flat angles C4'-P-C4' energy: -109.378
flat angles P-C4'-P energy: -81.180
tors. eta vs tors. theta energy: -126.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1170.345914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.345914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.345914 (E_RNA)
where:
Base-Base interactions energy: -684.062
where: short stacking energy: -432.230
Base-Backbone interact. energy: -0.196
local terms energy: -486.088468
where:
bonds (distance) C4'-P energy: -84.979
bonds (distance) P-C4' energy: -93.700
flat angles C4'-P-C4' energy: -104.461
flat angles P-C4'-P energy: -71.341
tors. eta vs tors. theta energy: -131.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -985.193628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.193628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.193628 (E_RNA)
where:
Base-Base interactions energy: -531.923
where: short stacking energy: -330.223
Base-Backbone interact. energy: -0.974
local terms energy: -452.296671
where:
bonds (distance) C4'-P energy: -89.703
bonds (distance) P-C4' energy: -101.581
flat angles C4'-P-C4' energy: -93.313
flat angles P-C4'-P energy: -71.326
tors. eta vs tors. theta energy: -96.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -761.853045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.853045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.853045 (E_RNA)
where:
Base-Base interactions energy: -391.340
where: short stacking energy: -268.123
Base-Backbone interact. energy: -0.979
local terms energy: -369.534493
where:
bonds (distance) C4'-P energy: -84.898
bonds (distance) P-C4' energy: -84.585
flat angles C4'-P-C4' energy: -89.030
flat angles P-C4'-P energy: -54.844
tors. eta vs tors. theta energy: -56.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -727.490968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.490968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.490968 (E_RNA)
where:
Base-Base interactions energy: -365.599
where: short stacking energy: -228.948
Base-Backbone interact. energy: -2.053
local terms energy: -359.839237
where:
bonds (distance) C4'-P energy: -85.855
bonds (distance) P-C4' energy: -93.395
flat angles C4'-P-C4' energy: -84.497
flat angles P-C4'-P energy: -51.940
tors. eta vs tors. theta energy: -44.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -550.993772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.993772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.993772 (E_RNA)
where:
Base-Base interactions energy: -235.769
where: short stacking energy: -160.023
Base-Backbone interact. energy: 1.056
local terms energy: -316.280923
where:
bonds (distance) C4'-P energy: -75.150
bonds (distance) P-C4' energy: -93.643
flat angles C4'-P-C4' energy: -83.760
flat angles P-C4'-P energy: -45.665
tors. eta vs tors. theta energy: -18.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -436.444910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.444910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.444910 (E_RNA)
where:
Base-Base interactions energy: -129.541
where: short stacking energy: -124.988
Base-Backbone interact. energy: -0.519
local terms energy: -306.384700
where:
bonds (distance) C4'-P energy: -90.550
bonds (distance) P-C4' energy: -92.718
flat angles C4'-P-C4' energy: -86.626
flat angles P-C4'-P energy: -34.664
tors. eta vs tors. theta energy: -1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -400.834464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.834464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.834464 (E_RNA)
where:
Base-Base interactions energy: -127.145
where: short stacking energy: -117.064
Base-Backbone interact. energy: 1.762
local terms energy: -275.451523
where:
bonds (distance) C4'-P energy: -82.938
bonds (distance) P-C4' energy: -77.315
flat angles C4'-P-C4' energy: -73.301
flat angles P-C4'-P energy: -50.832
tors. eta vs tors. theta energy: 8.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -387.036648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.036648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.036648 (E_RNA)
where:
Base-Base interactions energy: -123.051
where: short stacking energy: -103.404
Base-Backbone interact. energy: 0.811
local terms energy: -264.797402
where:
bonds (distance) C4'-P energy: -79.071
bonds (distance) P-C4' energy: -85.364
flat angles C4'-P-C4' energy: -61.338
flat angles P-C4'-P energy: -40.008
tors. eta vs tors. theta energy: 0.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -371.795456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.795456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.795456 (E_RNA)
where:
Base-Base interactions energy: -153.771
where: short stacking energy: -107.169
Base-Backbone interact. energy: -1.829
local terms energy: -216.195756
where:
bonds (distance) C4'-P energy: -53.507
bonds (distance) P-C4' energy: -73.368
flat angles C4'-P-C4' energy: -60.283
flat angles P-C4'-P energy: -37.389
tors. eta vs tors. theta energy: 8.352
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: 1, replica: 6
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1259.026434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.026434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.026434 (E_RNA)
where:
Base-Base interactions energy: -757.287
where: short stacking energy: -441.312
Base-Backbone interact. energy: -0.604
local terms energy: -501.135177
where:
bonds (distance) C4'-P energy: -99.502
bonds (distance) P-C4' energy: -95.129
flat angles C4'-P-C4' energy: -99.700
flat angles P-C4'-P energy: -67.081
tors. eta vs tors. theta energy: -139.723
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: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1165.917981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.917981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.917981 (E_RNA)
where:
Base-Base interactions energy: -680.908
where: short stacking energy: -414.547
Base-Backbone interact. energy: 0.132
local terms energy: -485.142514
where:
bonds (distance) C4'-P energy: -98.009
bonds (distance) P-C4' energy: -89.873
flat angles C4'-P-C4' energy: -100.972
flat angles P-C4'-P energy: -63.570
tors. eta vs tors. theta energy: -132.719
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: 3, replica: 10
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -983.952725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.952725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.952725 (E_RNA)
where:
Base-Base interactions energy: -551.199
where: short stacking energy: -363.023
Base-Backbone interact. energy: 1.136
local terms energy: -433.889180
where:
bonds (distance) C4'-P energy: -81.015
bonds (distance) P-C4' energy: -93.322
flat angles C4'-P-C4' energy: -90.683
flat angles P-C4'-P energy: -60.928
tors. eta vs tors. theta energy: -107.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -834.403057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.403057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.403057 (E_RNA)
where:
Base-Base interactions energy: -435.386
where: short stacking energy: -297.661
Base-Backbone interact. energy: 0.210
local terms energy: -399.227253
where:
bonds (distance) C4'-P energy: -83.064
bonds (distance) P-C4' energy: -100.186
flat angles C4'-P-C4' energy: -85.374
flat angles P-C4'-P energy: -63.185
tors. eta vs tors. theta energy: -67.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -714.208228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.208228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.208228 (E_RNA)
where:
Base-Base interactions energy: -366.513
where: short stacking energy: -215.111
Base-Backbone interact. energy: -1.587
local terms energy: -346.108125
where:
bonds (distance) C4'-P energy: -86.031
bonds (distance) P-C4' energy: -81.404
flat angles C4'-P-C4' energy: -83.638
flat angles P-C4'-P energy: -63.903
tors. eta vs tors. theta energy: -31.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -578.910686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.910686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.910686 (E_RNA)
where:
Base-Base interactions energy: -272.377
where: short stacking energy: -180.325
Base-Backbone interact. energy: 0.007
local terms energy: -306.540760
where:
bonds (distance) C4'-P energy: -75.174
bonds (distance) P-C4' energy: -80.500
flat angles C4'-P-C4' energy: -75.231
flat angles P-C4'-P energy: -52.298
tors. eta vs tors. theta energy: -23.337
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: 3
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -489.257217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.257217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.257217 (E_RNA)
where:
Base-Base interactions energy: -198.243
where: short stacking energy: -160.946
Base-Backbone interact. energy: -0.401
local terms energy: -290.612728
where:
bonds (distance) C4'-P energy: -81.448
bonds (distance) P-C4' energy: -80.041
flat angles C4'-P-C4' energy: -74.793
flat angles P-C4'-P energy: -45.952
tors. eta vs tors. theta energy: -8.379
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: 8
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -412.724478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.724478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.724478 (E_RNA)
where:
Base-Base interactions energy: -161.816
where: short stacking energy: -137.854
Base-Backbone interact. energy: 3.230
local terms energy: -254.138820
where:
bonds (distance) C4'-P energy: -75.480
bonds (distance) P-C4' energy: -88.296
flat angles C4'-P-C4' energy: -60.674
flat angles P-C4'-P energy: -34.628
tors. eta vs tors. theta energy: 4.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -373.989161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.989161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.989161 (E_RNA)
where:
Base-Base interactions energy: -120.149
where: short stacking energy: -94.535
Base-Backbone interact. energy: 0.813
local terms energy: -254.653545
where:
bonds (distance) C4'-P energy: -76.455
bonds (distance) P-C4' energy: -76.601
flat angles C4'-P-C4' energy: -61.573
flat angles P-C4'-P energy: -63.522
tors. eta vs tors. theta energy: 23.497
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: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -354.176629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.176629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.176629 (E_RNA)
where:
Base-Base interactions energy: -142.574
where: short stacking energy: -107.818
Base-Backbone interact. energy: -0.091
local terms energy: -211.511003
where:
bonds (distance) C4'-P energy: -70.262
bonds (distance) P-C4' energy: -78.118
flat angles C4'-P-C4' energy: -51.584
flat angles P-C4'-P energy: -38.269
tors. eta vs tors. theta energy: 26.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1219.266495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.266495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.266495 (E_RNA)
where:
Base-Base interactions energy: -722.249
where: short stacking energy: -412.907
Base-Backbone interact. energy: -0.660
local terms energy: -496.357519
where:
bonds (distance) C4'-P energy: -90.992
bonds (distance) P-C4' energy: -96.307
flat angles C4'-P-C4' energy: -102.496
flat angles P-C4'-P energy: -71.313
tors. eta vs tors. theta energy: -135.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1171.131327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.131327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.131327 (E_RNA)
where:
Base-Base interactions energy: -676.029
where: short stacking energy: -419.927
Base-Backbone interact. energy: 0.007
local terms energy: -495.109526
where:
bonds (distance) C4'-P energy: -87.155
bonds (distance) P-C4' energy: -105.741
flat angles C4'-P-C4' energy: -105.198
flat angles P-C4'-P energy: -73.650
tors. eta vs tors. theta energy: -123.366
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: 10
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -939.192297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.192297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.192297 (E_RNA)
where:
Base-Base interactions energy: -521.789
where: short stacking energy: -344.978
Base-Backbone interact. energy: -0.441
local terms energy: -416.961961
where:
bonds (distance) C4'-P energy: -95.149
bonds (distance) P-C4' energy: -85.592
flat angles C4'-P-C4' energy: -101.712
flat angles P-C4'-P energy: -44.889
tors. eta vs tors. theta energy: -89.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -780.324004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.324004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.324004 (E_RNA)
where:
Base-Base interactions energy: -401.490
where: short stacking energy: -266.151
Base-Backbone interact. energy: 0.469
local terms energy: -379.303050
where:
bonds (distance) C4'-P energy: -86.916
bonds (distance) P-C4' energy: -93.740
flat angles C4'-P-C4' energy: -90.165
flat angles P-C4'-P energy: -47.352
tors. eta vs tors. theta energy: -61.131
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: 496
Temperature: 1.100000
Total energy: -715.817044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.817044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.817044 (E_RNA)
where:
Base-Base interactions energy: -374.565
where: short stacking energy: -229.315
Base-Backbone interact. energy: -2.890
local terms energy: -338.361677
where:
bonds (distance) C4'-P energy: -82.179
bonds (distance) P-C4' energy: -80.895
flat angles C4'-P-C4' energy: -78.300
flat angles P-C4'-P energy: -67.736
tors. eta vs tors. theta energy: -29.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -598.643508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.643508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.643508 (E_RNA)
where:
Base-Base interactions energy: -282.822
where: short stacking energy: -205.375
Base-Backbone interact. energy: 1.487
local terms energy: -317.308034
where:
bonds (distance) C4'-P energy: -77.656
bonds (distance) P-C4' energy: -94.958
flat angles C4'-P-C4' energy: -69.030
flat angles P-C4'-P energy: -41.259
tors. eta vs tors. theta energy: -34.405
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: 3
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -496.236525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.236525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.236525 (E_RNA)
where:
Base-Base interactions energy: -226.642
where: short stacking energy: -156.790
Base-Backbone interact. energy: 1.840
local terms energy: -271.435180
where:
bonds (distance) C4'-P energy: -62.982
bonds (distance) P-C4' energy: -74.500
flat angles C4'-P-C4' energy: -78.843
flat angles P-C4'-P energy: -48.601
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: 8, replica: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -426.716732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.716732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.716732 (E_RNA)
where:
Base-Base interactions energy: -156.613
where: short stacking energy: -134.804
Base-Backbone interact. energy: 3.214
local terms energy: -273.316994
where:
bonds (distance) C4'-P energy: -63.558
bonds (distance) P-C4' energy: -89.359
flat angles C4'-P-C4' energy: -67.487
flat angles P-C4'-P energy: -49.637
tors. eta vs tors. theta energy: -3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -392.706917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.706917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.706917 (E_RNA)
where:
Base-Base interactions energy: -132.095
where: short stacking energy: -109.144
Base-Backbone interact. energy: -0.239
local terms energy: -260.372810
where:
bonds (distance) C4'-P energy: -79.031
bonds (distance) P-C4' energy: -74.280
flat angles C4'-P-C4' energy: -59.139
flat angles P-C4'-P energy: -44.351
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -344.928890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.928890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.928890 (E_RNA)
where:
Base-Base interactions energy: -110.395
where: short stacking energy: -84.896
Base-Backbone interact. energy: 3.330
local terms energy: -237.863857
where:
bonds (distance) C4'-P energy: -79.042
bonds (distance) P-C4' energy: -80.286
flat angles C4'-P-C4' energy: -57.385
flat angles P-C4'-P energy: -49.954
tors. eta vs tors. theta energy: 28.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1225.905084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.905084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.905084 (E_RNA)
where:
Base-Base interactions energy: -730.867
where: short stacking energy: -426.761
Base-Backbone interact. energy: 1.111
local terms energy: -496.148735
where:
bonds (distance) C4'-P energy: -97.456
bonds (distance) P-C4' energy: -91.727
flat angles C4'-P-C4' energy: -95.105
flat angles P-C4'-P energy: -80.191
tors. eta vs tors. theta energy: -131.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1155.164657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.164657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.164657 (E_RNA)
where:
Base-Base interactions energy: -684.328
where: short stacking energy: -420.737
Base-Backbone interact. energy: -0.340
local terms energy: -470.497378
where:
bonds (distance) C4'-P energy: -78.765
bonds (distance) P-C4' energy: -86.616
flat angles C4'-P-C4' energy: -97.721
flat angles P-C4'-P energy: -72.714
tors. eta vs tors. theta energy: -134.682
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: 10
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -923.561103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.561103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.561103 (E_RNA)
where:
Base-Base interactions energy: -521.280
where: short stacking energy: -326.645
Base-Backbone interact. energy: -0.953
local terms energy: -401.328112
where:
bonds (distance) C4'-P energy: -76.954
bonds (distance) P-C4' energy: -86.184
flat angles C4'-P-C4' energy: -82.644
flat angles P-C4'-P energy: -67.388
tors. eta vs tors. theta energy: -88.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -786.598756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.598756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.598756 (E_RNA)
where:
Base-Base interactions energy: -388.508
where: short stacking energy: -255.869
Base-Backbone interact. energy: -1.080
local terms energy: -397.010397
where:
bonds (distance) C4'-P energy: -86.981
bonds (distance) P-C4' energy: -85.116
flat angles C4'-P-C4' energy: -89.201
flat angles P-C4'-P energy: -67.652
tors. eta vs tors. theta energy: -68.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -700.450290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.450290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.450290 (E_RNA)
where:
Base-Base interactions energy: -360.677
where: short stacking energy: -232.078
Base-Backbone interact. energy: -1.269
local terms energy: -338.503848
where:
bonds (distance) C4'-P energy: -78.567
bonds (distance) P-C4' energy: -84.294
flat angles C4'-P-C4' energy: -79.900
flat angles P-C4'-P energy: -57.141
tors. eta vs tors. theta energy: -38.602
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: 4
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -603.266975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.266975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.266975 (E_RNA)
where:
Base-Base interactions energy: -269.968
where: short stacking energy: -203.069
Base-Backbone interact. energy: -1.807
local terms energy: -331.492082
where:
bonds (distance) C4'-P energy: -71.899
bonds (distance) P-C4' energy: -95.006
flat angles C4'-P-C4' energy: -68.033
flat angles P-C4'-P energy: -64.775
tors. eta vs tors. theta energy: -31.780
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: 3
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -536.280655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.280655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.280655 (E_RNA)
where:
Base-Base interactions energy: -223.980
where: short stacking energy: -167.260
Base-Backbone interact. energy: -0.399
local terms energy: -311.901711
where:
bonds (distance) C4'-P energy: -82.272
bonds (distance) P-C4' energy: -84.930
flat angles C4'-P-C4' energy: -74.493
flat angles P-C4'-P energy: -48.905
tors. eta vs tors. theta energy: -21.301
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: 497
Temperature: 1.250000
Total energy: -414.724488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.724488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.724488 (E_RNA)
where:
Base-Base interactions energy: -119.632
where: short stacking energy: -104.076
Base-Backbone interact. energy: 2.570
local terms energy: -297.662297
where:
bonds (distance) C4'-P energy: -77.170
bonds (distance) P-C4' energy: -96.188
flat angles C4'-P-C4' energy: -81.524
flat angles P-C4'-P energy: -50.245
tors. eta vs tors. theta energy: 7.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -378.315411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.315411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.315411 (E_RNA)
where:
Base-Base interactions energy: -98.433
where: short stacking energy: -83.597
Base-Backbone interact. energy: -1.476
local terms energy: -278.406413
where:
bonds (distance) C4'-P energy: -83.893
bonds (distance) P-C4' energy: -71.183
flat angles C4'-P-C4' energy: -84.130
flat angles P-C4'-P energy: -53.039
tors. eta vs tors. theta energy: 13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -372.651627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.651627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.651627 (E_RNA)
where:
Base-Base interactions energy: -118.009
where: short stacking energy: -105.216
Base-Backbone interact. energy: 0.854
local terms energy: -255.496478
where:
bonds (distance) C4'-P energy: -84.820
bonds (distance) P-C4' energy: -82.178
flat angles C4'-P-C4' energy: -74.777
flat angles P-C4'-P energy: -31.764
tors. eta vs tors. theta energy: 18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1233.131352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.131352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.131352 (E_RNA)
where:
Base-Base interactions energy: -754.505
where: short stacking energy: -418.575
Base-Backbone interact. energy: 0.499
local terms energy: -479.125331
where:
bonds (distance) C4'-P energy: -91.431
bonds (distance) P-C4' energy: -98.834
flat angles C4'-P-C4' energy: -105.633
flat angles P-C4'-P energy: -56.580
tors. eta vs tors. theta energy: -126.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1148.309055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.309055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.309055 (E_RNA)
where:
Base-Base interactions energy: -677.573
where: short stacking energy: -417.311
Base-Backbone interact. energy: -1.794
local terms energy: -468.941439
where:
bonds (distance) C4'-P energy: -80.771
bonds (distance) P-C4' energy: -83.959
flat angles C4'-P-C4' energy: -105.663
flat angles P-C4'-P energy: -69.805
tors. eta vs tors. theta energy: -128.743
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: 10
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -910.623527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.623527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.623527 (E_RNA)
where:
Base-Base interactions energy: -507.016
where: short stacking energy: -322.885
Base-Backbone interact. energy: 0.381
local terms energy: -403.987805
where:
bonds (distance) C4'-P energy: -94.408
bonds (distance) P-C4' energy: -87.702
flat angles C4'-P-C4' energy: -79.860
flat angles P-C4'-P energy: -58.282
tors. eta vs tors. theta energy: -83.735
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: 5
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -775.870117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.870117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.870117 (E_RNA)
where:
Base-Base interactions energy: -392.320
where: short stacking energy: -259.275
Base-Backbone interact. energy: 0.175
local terms energy: -383.724668
where:
bonds (distance) C4'-P energy: -75.904
bonds (distance) P-C4' energy: -93.665
flat angles C4'-P-C4' energy: -85.631
flat angles P-C4'-P energy: -70.018
tors. eta vs tors. theta energy: -58.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -702.790272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.790272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.790272 (E_RNA)
where:
Base-Base interactions energy: -364.799
where: short stacking energy: -236.222
Base-Backbone interact. energy: -1.736
local terms energy: -336.255670
where:
bonds (distance) C4'-P energy: -86.844
bonds (distance) P-C4' energy: -84.044
flat angles C4'-P-C4' energy: -78.849
flat angles P-C4'-P energy: -47.413
tors. eta vs tors. theta energy: -39.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -567.709455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.709455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.709455 (E_RNA)
where:
Base-Base interactions energy: -240.589
where: short stacking energy: -176.020
Base-Backbone interact. energy: 2.301
local terms energy: -329.421843
where:
bonds (distance) C4'-P energy: -84.368
bonds (distance) P-C4' energy: -76.487
flat angles C4'-P-C4' energy: -88.817
flat angles P-C4'-P energy: -54.813
tors. eta vs tors. theta energy: -24.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -484.834474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.834474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.834474 (E_RNA)
where:
Base-Base interactions energy: -194.497
where: short stacking energy: -141.714
Base-Backbone interact. energy: 1.403
local terms energy: -291.740470
where:
bonds (distance) C4'-P energy: -88.150
bonds (distance) P-C4' energy: -68.237
flat angles C4'-P-C4' energy: -75.034
flat angles P-C4'-P energy: -50.794
tors. eta vs tors. theta energy: -9.526
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: 8, replica: 8
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -400.121832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.121832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.121832 (E_RNA)
where:
Base-Base interactions energy: -130.700
where: short stacking energy: -119.766
Base-Backbone interact. energy: 1.862
local terms energy: -271.283794
where:
bonds (distance) C4'-P energy: -84.304
bonds (distance) P-C4' energy: -78.913
flat angles C4'-P-C4' energy: -56.075
flat angles P-C4'-P energy: -41.503
tors. eta vs tors. theta energy: -10.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -399.344147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.344147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.344147 (E_RNA)
where:
Base-Base interactions energy: -110.722
where: short stacking energy: -107.020
Base-Backbone interact. energy: -0.010
local terms energy: -288.611877
where:
bonds (distance) C4'-P energy: -79.683
bonds (distance) P-C4' energy: -82.990
flat angles C4'-P-C4' energy: -81.267
flat angles P-C4'-P energy: -34.740
tors. eta vs tors. theta energy: -9.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -341.732043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.732043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.732043 (E_RNA)
where:
Base-Base interactions energy: -113.946
where: short stacking energy: -93.593
Base-Backbone interact. energy: 5.327
local terms energy: -233.113041
where:
bonds (distance) C4'-P energy: -72.543
bonds (distance) P-C4' energy: -88.713
flat angles C4'-P-C4' energy: -57.442
flat angles P-C4'-P energy: -47.919
tors. eta vs tors. theta energy: 33.505
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: 6
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1265.980698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.980698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.980698 (E_RNA)
where:
Base-Base interactions energy: -778.076
where: short stacking energy: -453.665
Base-Backbone interact. energy: -1.225
local terms energy: -486.680019
where:
bonds (distance) C4'-P energy: -88.758
bonds (distance) P-C4' energy: -92.937
flat angles C4'-P-C4' energy: -107.696
flat angles P-C4'-P energy: -59.670
tors. eta vs tors. theta energy: -137.620
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: 2
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1141.024245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.024245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.024245 (E_RNA)
where:
Base-Base interactions energy: -656.167
where: short stacking energy: -404.918
Base-Backbone interact. energy: -0.706
local terms energy: -484.151090
where:
bonds (distance) C4'-P energy: -85.411
bonds (distance) P-C4' energy: -99.366
flat angles C4'-P-C4' energy: -110.312
flat angles P-C4'-P energy: -57.876
tors. eta vs tors. theta energy: -131.185
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: 3, replica: 10
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1004.134361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.134361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.134361 (E_RNA)
where:
Base-Base interactions energy: -561.064
where: short stacking energy: -326.670
Base-Backbone interact. energy: -1.893
local terms energy: -441.177865
where:
bonds (distance) C4'-P energy: -98.101
bonds (distance) P-C4' energy: -87.792
flat angles C4'-P-C4' energy: -97.981
flat angles P-C4'-P energy: -65.325
tors. eta vs tors. theta energy: -91.979
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: 4, replica: 5
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -815.912296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.912296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.912296 (E_RNA)
where:
Base-Base interactions energy: -410.394
where: short stacking energy: -282.546
Base-Backbone interact. energy: 0.290
local terms energy: -405.808002
where:
bonds (distance) C4'-P energy: -90.156
bonds (distance) P-C4' energy: -89.489
flat angles C4'-P-C4' energy: -102.780
flat angles P-C4'-P energy: -53.324
tors. eta vs tors. theta energy: -70.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -699.348046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.348046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.348046 (E_RNA)
where:
Base-Base interactions energy: -343.697
where: short stacking energy: -213.314
Base-Backbone interact. energy: -1.221
local terms energy: -354.430426
where:
bonds (distance) C4'-P energy: -83.913
bonds (distance) P-C4' energy: -94.890
flat angles C4'-P-C4' energy: -85.616
flat angles P-C4'-P energy: -51.226
tors. eta vs tors. theta energy: -38.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -557.644478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.644478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.644478 (E_RNA)
where:
Base-Base interactions energy: -254.945
where: short stacking energy: -188.529
Base-Backbone interact. energy: -2.274
local terms energy: -300.425895
where:
bonds (distance) C4'-P energy: -78.980
bonds (distance) P-C4' energy: -84.998
flat angles C4'-P-C4' energy: -70.243
flat angles P-C4'-P energy: -52.750
tors. eta vs tors. theta energy: -13.455
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: 7, replica: 4
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -543.009244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.009244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.009244 (E_RNA)
where:
Base-Base interactions energy: -235.336
where: short stacking energy: -172.769
Base-Backbone interact. energy: 1.894
local terms energy: -309.567404
where:
bonds (distance) C4'-P energy: -86.379
bonds (distance) P-C4' energy: -78.671
flat angles C4'-P-C4' energy: -71.852
flat angles P-C4'-P energy: -41.063
tors. eta vs tors. theta energy: -31.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -400.121000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.121000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.121000 (E_RNA)
where:
Base-Base interactions energy: -148.951
where: short stacking energy: -124.721
Base-Backbone interact. energy: -2.612
local terms energy: -248.557918
where:
bonds (distance) C4'-P energy: -60.600
bonds (distance) P-C4' energy: -81.639
flat angles C4'-P-C4' energy: -69.312
flat angles P-C4'-P energy: -37.236
tors. eta vs tors. theta energy: 0.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -370.935079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.935079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.935079 (E_RNA)
where:
Base-Base interactions energy: -134.984
where: short stacking energy: -119.043
Base-Backbone interact. energy: 0.063
local terms energy: -236.014107
where:
bonds (distance) C4'-P energy: -74.868
bonds (distance) P-C4' energy: -76.110
flat angles C4'-P-C4' energy: -69.761
flat angles P-C4'-P energy: -30.169
tors. eta vs tors. theta energy: 14.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -367.275919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.275919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.275919 (E_RNA)
where:
Base-Base interactions energy: -147.209
where: short stacking energy: -104.035
Base-Backbone interact. energy: 6.337
local terms energy: -226.404779
where:
bonds (distance) C4'-P energy: -61.121
bonds (distance) P-C4' energy: -82.609
flat angles C4'-P-C4' energy: -61.339
flat angles P-C4'-P energy: -35.319
tors. eta vs tors. theta energy: 13.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1242.203406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.203406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.203406 (E_RNA)
where:
Base-Base interactions energy: -728.205
where: short stacking energy: -439.587
Base-Backbone interact. energy: -0.670
local terms energy: -513.328645
where:
bonds (distance) C4'-P energy: -91.716
bonds (distance) P-C4' energy: -100.686
flat angles C4'-P-C4' energy: -108.630
flat angles P-C4'-P energy: -68.971
tors. eta vs tors. theta energy: -143.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1183.214573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.214573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.214573 (E_RNA)
where:
Base-Base interactions energy: -679.451
where: short stacking energy: -426.921
Base-Backbone interact. energy: -0.367
local terms energy: -503.397143
where:
bonds (distance) C4'-P energy: -91.620
bonds (distance) P-C4' energy: -103.039
flat angles C4'-P-C4' energy: -104.987
flat angles P-C4'-P energy: -64.362
tors. eta vs tors. theta energy: -139.390
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: 10
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -977.383242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.383242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.383242 (E_RNA)
where:
Base-Base interactions energy: -573.438
where: short stacking energy: -333.691
Base-Backbone interact. energy: -0.112
local terms energy: -403.833424
where:
bonds (distance) C4'-P energy: -82.031
bonds (distance) P-C4' energy: -90.281
flat angles C4'-P-C4' energy: -82.202
flat angles P-C4'-P energy: -64.810
tors. eta vs tors. theta energy: -84.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -792.539306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.539306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.539306 (E_RNA)
where:
Base-Base interactions energy: -410.725
where: short stacking energy: -251.806
Base-Backbone interact. energy: 0.890
local terms energy: -382.704567
where:
bonds (distance) C4'-P energy: -91.910
bonds (distance) P-C4' energy: -95.000
flat angles C4'-P-C4' energy: -87.777
flat angles P-C4'-P energy: -56.940
tors. eta vs tors. theta energy: -51.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -695.033274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.033274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.033274 (E_RNA)
where:
Base-Base interactions energy: -353.487
where: short stacking energy: -235.376
Base-Backbone interact. energy: -2.247
local terms energy: -339.298715
where:
bonds (distance) C4'-P energy: -70.802
bonds (distance) P-C4' energy: -93.096
flat angles C4'-P-C4' energy: -77.806
flat angles P-C4'-P energy: -51.438
tors. eta vs tors. theta energy: -46.155
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: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -595.004474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.004474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.004474 (E_RNA)
where:
Base-Base interactions energy: -275.205
where: short stacking energy: -202.379
Base-Backbone interact. energy: -2.126
local terms energy: -317.673836
where:
bonds (distance) C4'-P energy: -72.754
bonds (distance) P-C4' energy: -81.001
flat angles C4'-P-C4' energy: -75.778
flat angles P-C4'-P energy: -50.944
tors. eta vs tors. theta energy: -37.196
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: 7, replica: 4
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -533.095765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.095765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.095765 (E_RNA)
where:
Base-Base interactions energy: -218.720
where: short stacking energy: -151.263
Base-Backbone interact. energy: 1.092
local terms energy: -315.467025
where:
bonds (distance) C4'-P energy: -79.381
bonds (distance) P-C4' energy: -82.620
flat angles C4'-P-C4' energy: -97.531
flat angles P-C4'-P energy: -54.009
tors. eta vs tors. theta energy: -1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -410.312214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.312214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.312214 (E_RNA)
where:
Base-Base interactions energy: -137.135
where: short stacking energy: -118.206
Base-Backbone interact. energy: 0.682
local terms energy: -273.859685
where:
bonds (distance) C4'-P energy: -80.938
bonds (distance) P-C4' energy: -78.991
flat angles C4'-P-C4' energy: -71.667
flat angles P-C4'-P energy: -46.635
tors. eta vs tors. theta energy: 4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -372.816764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.816764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.816764 (E_RNA)
where:
Base-Base interactions energy: -121.954
where: short stacking energy: -115.546
Base-Backbone interact. energy: 4.782
local terms energy: -255.645468
where:
bonds (distance) C4'-P energy: -81.058
bonds (distance) P-C4' energy: -80.753
flat angles C4'-P-C4' energy: -54.103
flat angles P-C4'-P energy: -36.502
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -376.325926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.325926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.325926 (E_RNA)
where:
Base-Base interactions energy: -125.663
where: short stacking energy: -114.151
Base-Backbone interact. energy: 0.404
local terms energy: -251.067434
where:
bonds (distance) C4'-P energy: -79.660
bonds (distance) P-C4' energy: -81.891
flat angles C4'-P-C4' energy: -61.018
flat angles P-C4'-P energy: -32.664
tors. eta vs tors. theta energy: 4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1229.832788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.832788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.832788 (E_RNA)
where:
Base-Base interactions energy: -743.653
where: short stacking energy: -441.354
Base-Backbone interact. energy: -1.048
local terms energy: -485.131388
where:
bonds (distance) C4'-P energy: -89.975
bonds (distance) P-C4' energy: -98.518
flat angles C4'-P-C4' energy: -102.617
flat angles P-C4'-P energy: -60.923
tors. eta vs tors. theta energy: -133.098
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: 2
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -1133.014711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.014711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.014711 (E_RNA)
where:
Base-Base interactions energy: -650.778
where: short stacking energy: -414.929
Base-Backbone interact. energy: -0.575
local terms energy: -481.662163
where:
bonds (distance) C4'-P energy: -86.505
bonds (distance) P-C4' energy: -90.982
flat angles C4'-P-C4' energy: -103.426
flat angles P-C4'-P energy: -76.677
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: 10
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -1025.688260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.688260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.688260 (E_RNA)
where:
Base-Base interactions energy: -582.941
where: short stacking energy: -353.723
Base-Backbone interact. energy: -1.732
local terms energy: -441.015526
where:
bonds (distance) C4'-P energy: -98.052
bonds (distance) P-C4' energy: -86.999
flat angles C4'-P-C4' energy: -102.268
flat angles P-C4'-P energy: -50.871
tors. eta vs tors. theta energy: -102.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -809.427569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.427569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.427569 (E_RNA)
where:
Base-Base interactions energy: -434.850
where: short stacking energy: -274.439
Base-Backbone interact. energy: 4.702
local terms energy: -379.279879
where:
bonds (distance) C4'-P energy: -85.482
bonds (distance) P-C4' energy: -88.528
flat angles C4'-P-C4' energy: -75.932
flat angles P-C4'-P energy: -59.749
tors. eta vs tors. theta energy: -69.589
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: 501
Temperature: 1.100000
Total energy: -734.548483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.548483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.548483 (E_RNA)
where:
Base-Base interactions energy: -386.467
where: short stacking energy: -239.316
Base-Backbone interact. energy: -1.393
local terms energy: -346.689263
where:
bonds (distance) C4'-P energy: -78.448
bonds (distance) P-C4' energy: -87.655
flat angles C4'-P-C4' energy: -68.062
flat angles P-C4'-P energy: -63.317
tors. eta vs tors. theta energy: -49.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -596.623762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.623762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.623762 (E_RNA)
where:
Base-Base interactions energy: -258.382
where: short stacking energy: -173.153
Base-Backbone interact. energy: -1.373
local terms energy: -336.869462
where:
bonds (distance) C4'-P energy: -92.089
bonds (distance) P-C4' energy: -86.201
flat angles C4'-P-C4' energy: -71.230
flat angles P-C4'-P energy: -65.735
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -537.130359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.130359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.130359 (E_RNA)
where:
Base-Base interactions energy: -230.357
where: short stacking energy: -149.513
Base-Backbone interact. energy: 2.159
local terms energy: -308.932400
where:
bonds (distance) C4'-P energy: -84.578
bonds (distance) P-C4' energy: -82.333
flat angles C4'-P-C4' energy: -88.440
flat angles P-C4'-P energy: -40.699
tors. eta vs tors. theta energy: -12.883
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: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -414.854981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.854981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.854981 (E_RNA)
where:
Base-Base interactions energy: -138.486
where: short stacking energy: -121.260
Base-Backbone interact. energy: -1.356
local terms energy: -275.012607
where:
bonds (distance) C4'-P energy: -81.055
bonds (distance) P-C4' energy: -76.377
flat angles C4'-P-C4' energy: -71.299
flat angles P-C4'-P energy: -50.954
tors. eta vs tors. theta energy: 4.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -375.776153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.776153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.776153 (E_RNA)
where:
Base-Base interactions energy: -132.403
where: short stacking energy: -112.795
Base-Backbone interact. energy: -1.497
local terms energy: -241.876570
where:
bonds (distance) C4'-P energy: -85.730
bonds (distance) P-C4' energy: -81.570
flat angles C4'-P-C4' energy: -47.566
flat angles P-C4'-P energy: -36.078
tors. eta vs tors. theta energy: 9.067
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: 9
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -352.378228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.378228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.378228 (E_RNA)
where:
Base-Base interactions energy: -109.592
where: short stacking energy: -102.039
Base-Backbone interact. energy: -1.416
local terms energy: -241.370638
where:
bonds (distance) C4'-P energy: -66.886
bonds (distance) P-C4' energy: -78.495
flat angles C4'-P-C4' energy: -71.231
flat angles P-C4'-P energy: -34.743
tors. eta vs tors. theta energy: 9.985
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)
replica 6 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 98860039
moves confirmed later: 108052920
all moves confirmed: 206912959
percent of confirmed moves: 25.864120
current total energy: -1107.842376
recalc. total energy: -1107.842376
replica 2 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 105289559
moves confirmed later: 116172574
all moves confirmed: 221462133
percent of confirmed moves: 27.682767
current total energy: -1088.293913
recalc. total energy: -1088.293913
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 151173698
moves confirmed later: 178771221
all moves confirmed: 329944919
percent of confirmed moves: 41.243115
current total energy: -912.761613
recalc. total energy: -912.761613
replica 5 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 170432585
moves confirmed later: 205388313
all moves confirmed: 375820898
percent of confirmed moves: 46.977612
current total energy: -693.148361
recalc. total energy: -693.148361
replica 7 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 132206640
moves confirmed later: 152890548
all moves confirmed: 285097188
percent of confirmed moves: 35.637149
current total energy: -628.774675
recalc. total energy: -628.774675
replica 3 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 163668604
moves confirmed later: 195789435
all moves confirmed: 359458039
percent of confirmed moves: 44.932255
current total energy: -472.003798
recalc. total energy: -472.003798
replica 1 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 175266979
moves confirmed later: 211544797
all moves confirmed: 386811776
percent of confirmed moves: 48.351472
current total energy: -331.677531
recalc. total energy: -331.677531
replica 4 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 131781762
moves confirmed later: 152262244
all moves confirmed: 284044006
percent of confirmed moves: 35.505501
current total energy: -385.952888
recalc. total energy: -385.952888
replica 8 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 179539710
moves confirmed later: 217657124
all moves confirmed: 397196834
percent of confirmed moves: 49.649604
current total energy: -327.836171
recalc. total energy: -327.836171
replica 9 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 174012519
moves confirmed later: 209999655
all moves confirmed: 384012174
percent of confirmed moves: 48.001522
current total energy: -243.622055
recalc. total energy: -243.622055
out arg RESULTS//1/ABO-148ins-e1246a83_01
Time of doing 8000000 iterations: 28217.945 seconds