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-94557938/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-94557938/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-94557938/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-94557938/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-94557938/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-94557938/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-94557938/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-94557938/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-94557938/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-94557938/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-94557938/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-94557938/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-94557938/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-94557938/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-94557938/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-94557938/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-94557938/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-94557938/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-94557938/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ABO-148ins-94557938/inputs/seq.fa: 1
curr_seq: _AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGACACAGACACAAAAUCACAUACACAUCCUCCCCGCCACAGAGACACACCAUUACAUACACAGACACACACACACACACAAUCACACACACACCCCCCGCCACAGAGACACACCGUUACAUACACAGACAUACACACACACACAGA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 148 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 745
n_atoms_counter: 745
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 148.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -585.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.507443 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -9.340
Base-Backbone interact. energy: -0.000
local terms energy: -576.167091
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -133.303
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -124.301
tors. eta vs tors. theta energy: -66.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -754.620699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.620699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.620699 (E_RNA)
where:
Base-Base interactions energy: -334.586
where: short stacking energy: -318.720
Base-Backbone interact. energy: 1.718
local terms energy: -421.751798
where:
bonds (distance) C4'-P energy: -97.810
bonds (distance) P-C4' energy: -93.913
flat angles C4'-P-C4' energy: -87.433
flat angles P-C4'-P energy: -62.866
tors. eta vs tors. theta energy: -79.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -718.363870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.363870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.363870 (E_RNA)
where:
Base-Base interactions energy: -297.153
where: short stacking energy: -296.681
Base-Backbone interact. energy: -0.318
local terms energy: -420.893066
where:
bonds (distance) C4'-P energy: -95.254
bonds (distance) P-C4' energy: -89.014
flat angles C4'-P-C4' energy: -93.089
flat angles P-C4'-P energy: -60.251
tors. eta vs tors. theta energy: -83.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -639.186228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.186228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.186228 (E_RNA)
where:
Base-Base interactions energy: -255.965
where: short stacking energy: -251.856
Base-Backbone interact. energy: -0.075
local terms energy: -383.147007
where:
bonds (distance) C4'-P energy: -83.693
bonds (distance) P-C4' energy: -91.102
flat angles C4'-P-C4' energy: -87.810
flat angles P-C4'-P energy: -67.399
tors. eta vs tors. theta energy: -53.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -613.300290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.300290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.300290 (E_RNA)
where:
Base-Base interactions energy: -243.139
where: short stacking energy: -240.082
Base-Backbone interact. energy: 0.760
local terms energy: -370.921401
where:
bonds (distance) C4'-P energy: -85.921
bonds (distance) P-C4' energy: -87.147
flat angles C4'-P-C4' energy: -90.139
flat angles P-C4'-P energy: -46.377
tors. eta vs tors. theta energy: -61.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -589.357558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.357558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.357558 (E_RNA)
where:
Base-Base interactions energy: -15.375
where: short stacking energy: -15.375
Base-Backbone interact. energy: -0.000
local terms energy: -573.982866
where:
bonds (distance) C4'-P energy: -143.446
bonds (distance) P-C4' energy: -132.373
flat angles C4'-P-C4' energy: -107.699
flat angles P-C4'-P energy: -123.935
tors. eta vs tors. theta energy: -66.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -587.590691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.590691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.590691 (E_RNA)
where:
Base-Base interactions energy: -15.715
where: short stacking energy: -15.715
Base-Backbone interact. energy: -0.000
local terms energy: -571.875616
where:
bonds (distance) C4'-P energy: -143.115
bonds (distance) P-C4' energy: -131.059
flat angles C4'-P-C4' energy: -107.503
flat angles P-C4'-P energy: -123.471
tors. eta vs tors. theta energy: -66.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -587.568458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.568458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.568458 (E_RNA)
where:
Base-Base interactions energy: -15.715
where: short stacking energy: -15.715
Base-Backbone interact. energy: -0.000
local terms energy: -571.853503
where:
bonds (distance) C4'-P energy: -143.115
bonds (distance) P-C4' energy: -131.059
flat angles C4'-P-C4' energy: -107.503
flat angles P-C4'-P energy: -123.508
tors. eta vs tors. theta energy: -66.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -586.818092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.818092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.818092 (E_RNA)
where:
Base-Base interactions energy: -14.964
where: short stacking energy: -14.964
Base-Backbone interact. energy: -0.000
local terms energy: -571.853503
where:
bonds (distance) C4'-P energy: -143.115
bonds (distance) P-C4' energy: -131.059
flat angles C4'-P-C4' energy: -107.503
flat angles P-C4'-P energy: -123.508
tors. eta vs tors. theta energy: -66.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -587.061748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.061748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.061748 (E_RNA)
where:
Base-Base interactions energy: -15.493
where: short stacking energy: -15.493
Base-Backbone interact. energy: -0.000
local terms energy: -571.568373
where:
bonds (distance) C4'-P energy: -143.115
bonds (distance) P-C4' energy: -131.059
flat angles C4'-P-C4' energy: -107.503
flat angles P-C4'-P energy: -123.508
tors. eta vs tors. theta energy: -66.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -582.571815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.571815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.571815 (E_RNA)
where:
Base-Base interactions energy: -10.503
where: short stacking energy: -10.503
Base-Backbone interact. energy: -0.000
local terms energy: -572.068450
where:
bonds (distance) C4'-P energy: -142.940
bonds (distance) P-C4' energy: -130.561
flat angles C4'-P-C4' energy: -108.368
flat angles P-C4'-P energy: -123.990
tors. eta vs tors. theta energy: -66.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -742.265813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.265813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.265813 (E_RNA)
where:
Base-Base interactions energy: -320.930
where: short stacking energy: -318.037
Base-Backbone interact. energy: 0.902
local terms energy: -422.237680
where:
bonds (distance) C4'-P energy: -98.084
bonds (distance) P-C4' energy: -87.290
flat angles C4'-P-C4' energy: -87.579
flat angles P-C4'-P energy: -64.695
tors. eta vs tors. theta energy: -84.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -690.415363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.415363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.415363 (E_RNA)
where:
Base-Base interactions energy: -298.781
where: short stacking energy: -274.080
Base-Backbone interact. energy: -0.092
local terms energy: -391.542368
where:
bonds (distance) C4'-P energy: -89.765
bonds (distance) P-C4' energy: -99.708
flat angles C4'-P-C4' energy: -90.980
flat angles P-C4'-P energy: -61.448
tors. eta vs tors. theta energy: -49.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -719.241913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.241913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.241913 (E_RNA)
where:
Base-Base interactions energy: -337.129
where: short stacking energy: -303.956
Base-Backbone interact. energy: 0.886
local terms energy: -382.998758
where:
bonds (distance) C4'-P energy: -76.460
bonds (distance) P-C4' energy: -87.400
flat angles C4'-P-C4' energy: -89.520
flat angles P-C4'-P energy: -49.147
tors. eta vs tors. theta energy: -80.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -590.316407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.316407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.316407 (E_RNA)
where:
Base-Base interactions energy: -253.686
where: short stacking energy: -212.732
Base-Backbone interact. energy: -0.576
local terms energy: -336.053553
where:
bonds (distance) C4'-P energy: -84.647
bonds (distance) P-C4' energy: -92.255
flat angles C4'-P-C4' energy: -83.275
flat angles P-C4'-P energy: -37.061
tors. eta vs tors. theta energy: -38.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -543.923246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.923246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.923246 (E_RNA)
where:
Base-Base interactions energy: -214.490
where: short stacking energy: -209.409
Base-Backbone interact. energy: -0.661
local terms energy: -328.772664
where:
bonds (distance) C4'-P energy: -87.080
bonds (distance) P-C4' energy: -85.362
flat angles C4'-P-C4' energy: -68.886
flat angles P-C4'-P energy: -46.827
tors. eta vs tors. theta energy: -40.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -516.542506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.542506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.542506 (E_RNA)
where:
Base-Base interactions energy: -195.905
where: short stacking energy: -191.307
Base-Backbone interact. energy: 0.018
local terms energy: -320.656209
where:
bonds (distance) C4'-P energy: -86.384
bonds (distance) P-C4' energy: -94.613
flat angles C4'-P-C4' energy: -76.197
flat angles P-C4'-P energy: -43.261
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -485.641165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.641165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.641165 (E_RNA)
where:
Base-Base interactions energy: -186.903
where: short stacking energy: -175.218
Base-Backbone interact. energy: 0.380
local terms energy: -299.118970
where:
bonds (distance) C4'-P energy: -73.457
bonds (distance) P-C4' energy: -85.201
flat angles C4'-P-C4' energy: -72.176
flat angles P-C4'-P energy: -48.377
tors. eta vs tors. theta energy: -19.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -425.801272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.801272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.801272 (E_RNA)
where:
Base-Base interactions energy: -143.610
where: short stacking energy: -129.055
Base-Backbone interact. energy: -1.464
local terms energy: -280.727396
where:
bonds (distance) C4'-P energy: -72.374
bonds (distance) P-C4' energy: -88.695
flat angles C4'-P-C4' energy: -65.691
flat angles P-C4'-P energy: -53.871
tors. eta vs tors. theta energy: -0.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -375.524096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.524096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.524096 (E_RNA)
where:
Base-Base interactions energy: -131.648
where: short stacking energy: -113.350
Base-Backbone interact. energy: 5.543
local terms energy: -249.418845
where:
bonds (distance) C4'-P energy: -71.466
bonds (distance) P-C4' energy: -64.215
flat angles C4'-P-C4' energy: -65.630
flat angles P-C4'-P energy: -57.085
tors. eta vs tors. theta energy: 8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 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: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -674.040425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.040425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.040425 (E_RNA)
where:
Base-Base interactions energy: -324.467
where: short stacking energy: -265.445
Base-Backbone interact. energy: -1.878
local terms energy: -347.695928
where:
bonds (distance) C4'-P energy: -73.732
bonds (distance) P-C4' energy: -80.458
flat angles C4'-P-C4' energy: -96.941
flat angles P-C4'-P energy: -46.733
tors. eta vs tors. theta energy: -49.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -606.717379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.717379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.717379 (E_RNA)
where:
Base-Base interactions energy: -239.518
where: short stacking energy: -205.361
Base-Backbone interact. energy: -0.893
local terms energy: -366.306893
where:
bonds (distance) C4'-P energy: -84.741
bonds (distance) P-C4' energy: -89.320
flat angles C4'-P-C4' energy: -86.387
flat angles P-C4'-P energy: -58.718
tors. eta vs tors. theta energy: -47.141
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: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -552.931681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.931681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.931681 (E_RNA)
where:
Base-Base interactions energy: -201.593
where: short stacking energy: -184.888
Base-Backbone interact. energy: -0.652
local terms energy: -350.687332
where:
bonds (distance) C4'-P energy: -75.225
bonds (distance) P-C4' energy: -96.638
flat angles C4'-P-C4' energy: -79.995
flat angles P-C4'-P energy: -61.091
tors. eta vs tors. theta energy: -37.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -493.302438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.302438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.302438 (E_RNA)
where:
Base-Base interactions energy: -184.391
where: short stacking energy: -179.481
Base-Backbone interact. energy: 0.974
local terms energy: -309.885013
where:
bonds (distance) C4'-P energy: -92.274
bonds (distance) P-C4' energy: -68.549
flat angles C4'-P-C4' energy: -86.651
flat angles P-C4'-P energy: -40.550
tors. eta vs tors. theta energy: -21.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -471.037589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.037589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.037589 (E_RNA)
where:
Base-Base interactions energy: -168.363
where: short stacking energy: -142.970
Base-Backbone interact. energy: -1.134
local terms energy: -301.540171
where:
bonds (distance) C4'-P energy: -86.216
bonds (distance) P-C4' energy: -78.949
flat angles C4'-P-C4' energy: -69.262
flat angles P-C4'-P energy: -43.959
tors. eta vs tors. theta energy: -23.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -423.581022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.581022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.581022 (E_RNA)
where:
Base-Base interactions energy: -172.025
where: short stacking energy: -165.241
Base-Backbone interact. energy: -1.290
local terms energy: -250.265893
where:
bonds (distance) C4'-P energy: -62.477
bonds (distance) P-C4' energy: -68.820
flat angles C4'-P-C4' energy: -64.839
flat angles P-C4'-P energy: -35.272
tors. eta vs tors. theta energy: -18.858
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: 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: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -370.658769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.658769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.658769 (E_RNA)
where:
Base-Base interactions energy: -111.032
where: short stacking energy: -103.337
Base-Backbone interact. energy: -1.709
local terms energy: -257.917180
where:
bonds (distance) C4'-P energy: -72.326
bonds (distance) P-C4' energy: -80.358
flat angles C4'-P-C4' energy: -63.550
flat angles P-C4'-P energy: -37.530
tors. eta vs tors. theta energy: -4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 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: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -734.465840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.465840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.465840 (E_RNA)
where:
Base-Base interactions energy: -358.969
where: short stacking energy: -291.117
Base-Backbone interact. energy: 2.565
local terms energy: -378.062707
where:
bonds (distance) C4'-P energy: -80.908
bonds (distance) P-C4' energy: -100.177
flat angles C4'-P-C4' energy: -71.490
flat angles P-C4'-P energy: -65.341
tors. eta vs tors. theta energy: -60.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -646.877772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.877772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.877772 (E_RNA)
where:
Base-Base interactions energy: -280.381
where: short stacking energy: -240.232
Base-Backbone interact. energy: -1.219
local terms energy: -365.277618
where:
bonds (distance) C4'-P energy: -85.713
bonds (distance) P-C4' energy: -95.776
flat angles C4'-P-C4' energy: -86.193
flat angles P-C4'-P energy: -43.781
tors. eta vs tors. theta energy: -53.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -565.132858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.132858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.132858 (E_RNA)
where:
Base-Base interactions energy: -233.186
where: short stacking energy: -169.891
Base-Backbone interact. energy: 0.335
local terms energy: -332.281274
where:
bonds (distance) C4'-P energy: -87.365
bonds (distance) P-C4' energy: -94.804
flat angles C4'-P-C4' energy: -91.785
flat angles P-C4'-P energy: -42.125
tors. eta vs tors. theta energy: -16.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -504.897553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.897553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.897553 (E_RNA)
where:
Base-Base interactions energy: -186.253
where: short stacking energy: -169.295
Base-Backbone interact. energy: 1.476
local terms energy: -320.119871
where:
bonds (distance) C4'-P energy: -78.752
bonds (distance) P-C4' energy: -90.098
flat angles C4'-P-C4' energy: -72.688
flat angles P-C4'-P energy: -63.870
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -436.055814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.055814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.055814 (E_RNA)
where:
Base-Base interactions energy: -159.442
where: short stacking energy: -155.275
Base-Backbone interact. energy: -1.409
local terms energy: -275.205307
where:
bonds (distance) C4'-P energy: -86.128
bonds (distance) P-C4' energy: -89.773
flat angles C4'-P-C4' energy: -55.327
flat angles P-C4'-P energy: -42.306
tors. eta vs tors. theta energy: -1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -426.423047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.423047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.423047 (E_RNA)
where:
Base-Base interactions energy: -155.719
where: short stacking energy: -128.072
Base-Backbone interact. energy: 0.958
local terms energy: -271.661780
where:
bonds (distance) C4'-P energy: -79.929
bonds (distance) P-C4' energy: -90.279
flat angles C4'-P-C4' energy: -57.347
flat angles P-C4'-P energy: -34.786
tors. eta vs tors. theta energy: -9.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 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: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -363.717922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.717922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.717922 (E_RNA)
where:
Base-Base interactions energy: -114.427
where: short stacking energy: -92.243
Base-Backbone interact. energy: 1.999
local terms energy: -251.290415
where:
bonds (distance) C4'-P energy: -78.346
bonds (distance) P-C4' energy: -88.267
flat angles C4'-P-C4' energy: -63.600
flat angles P-C4'-P energy: -38.338
tors. eta vs tors. theta energy: 17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: -727.972476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.972476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.972476 (E_RNA)
where:
Base-Base interactions energy: -373.594
where: short stacking energy: -279.479
Base-Backbone interact. energy: 2.578
local terms energy: -356.957083
where:
bonds (distance) C4'-P energy: -86.020
bonds (distance) P-C4' energy: -85.574
flat angles C4'-P-C4' energy: -95.095
flat angles P-C4'-P energy: -43.043
tors. eta vs tors. theta energy: -47.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -620.337621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.337621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.337621 (E_RNA)
where:
Base-Base interactions energy: -261.428
where: short stacking energy: -216.702
Base-Backbone interact. energy: -2.204
local terms energy: -356.705989
where:
bonds (distance) C4'-P energy: -89.912
bonds (distance) P-C4' energy: -100.824
flat angles C4'-P-C4' energy: -74.027
flat angles P-C4'-P energy: -56.607
tors. eta vs tors. theta energy: -35.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -559.247662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.247662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.247662 (E_RNA)
where:
Base-Base interactions energy: -224.725
where: short stacking energy: -175.561
Base-Backbone interact. energy: -3.505
local terms energy: -331.018596
where:
bonds (distance) C4'-P energy: -83.262
bonds (distance) P-C4' energy: -94.937
flat angles C4'-P-C4' energy: -88.752
flat angles P-C4'-P energy: -45.018
tors. eta vs tors. theta energy: -19.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -473.069763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.069763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.069763 (E_RNA)
where:
Base-Base interactions energy: -193.592
where: short stacking energy: -155.813
Base-Backbone interact. energy: -2.819
local terms energy: -276.658114
where:
bonds (distance) C4'-P energy: -69.655
bonds (distance) P-C4' energy: -86.630
flat angles C4'-P-C4' energy: -64.324
flat angles P-C4'-P energy: -40.568
tors. eta vs tors. theta energy: -15.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -457.923731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.923731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.923731 (E_RNA)
where:
Base-Base interactions energy: -175.035
where: short stacking energy: -126.923
Base-Backbone interact. energy: -0.095
local terms energy: -282.794328
where:
bonds (distance) C4'-P energy: -75.160
bonds (distance) P-C4' energy: -77.902
flat angles C4'-P-C4' energy: -70.607
flat angles P-C4'-P energy: -58.716
tors. eta vs tors. theta energy: -0.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -403.457325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.457325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.457325 (E_RNA)
where:
Base-Base interactions energy: -154.866
where: short stacking energy: -140.389
Base-Backbone interact. energy: 5.346
local terms energy: -253.937232
where:
bonds (distance) C4'-P energy: -72.974
bonds (distance) P-C4' energy: -82.737
flat angles C4'-P-C4' energy: -72.177
flat angles P-C4'-P energy: -23.832
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -368.838983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.838983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.838983 (E_RNA)
where:
Base-Base interactions energy: -136.376
where: short stacking energy: -110.854
Base-Backbone interact. energy: -0.504
local terms energy: -231.959207
where:
bonds (distance) C4'-P energy: -85.998
bonds (distance) P-C4' energy: -67.268
flat angles C4'-P-C4' energy: -66.451
flat angles P-C4'-P energy: -28.971
tors. eta vs tors. theta energy: 16.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 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: -720.542914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.542914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.542914 (E_RNA)
where:
Base-Base interactions energy: -340.540
where: short stacking energy: -251.970
Base-Backbone interact. energy: 3.928
local terms energy: -383.930724
where:
bonds (distance) C4'-P energy: -90.371
bonds (distance) P-C4' energy: -98.725
flat angles C4'-P-C4' energy: -81.457
flat angles P-C4'-P energy: -54.945
tors. eta vs tors. theta energy: -58.433
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: 3
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -612.974070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.974070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.974070 (E_RNA)
where:
Base-Base interactions energy: -280.479
where: short stacking energy: -215.006
Base-Backbone interact. energy: -2.048
local terms energy: -330.447225
where:
bonds (distance) C4'-P energy: -92.731
bonds (distance) P-C4' energy: -85.294
flat angles C4'-P-C4' energy: -61.719
flat angles P-C4'-P energy: -52.028
tors. eta vs tors. theta energy: -38.675
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: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -578.473568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.473568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.473568 (E_RNA)
where:
Base-Base interactions energy: -246.438
where: short stacking energy: -201.285
Base-Backbone interact. energy: -0.824
local terms energy: -331.212245
where:
bonds (distance) C4'-P energy: -95.627
bonds (distance) P-C4' energy: -83.100
flat angles C4'-P-C4' energy: -70.891
flat angles P-C4'-P energy: -54.450
tors. eta vs tors. theta energy: -27.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -519.903982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.903982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.903982 (E_RNA)
where:
Base-Base interactions energy: -213.341
where: short stacking energy: -179.607
Base-Backbone interact. energy: 1.563
local terms energy: -308.126465
where:
bonds (distance) C4'-P energy: -80.838
bonds (distance) P-C4' energy: -77.482
flat angles C4'-P-C4' energy: -69.102
flat angles P-C4'-P energy: -57.210
tors. eta vs tors. theta energy: -23.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -478.693899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.693899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.693899 (E_RNA)
where:
Base-Base interactions energy: -183.931
where: short stacking energy: -172.416
Base-Backbone interact. energy: -1.412
local terms energy: -293.350985
where:
bonds (distance) C4'-P energy: -75.682
bonds (distance) P-C4' energy: -85.287
flat angles C4'-P-C4' energy: -71.457
flat angles P-C4'-P energy: -45.358
tors. eta vs tors. theta energy: -15.568
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: 7
Temperature: 1.250000
Total energy: -411.557849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.557849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.557849 (E_RNA)
where:
Base-Base interactions energy: -148.402
where: short stacking energy: -122.182
Base-Backbone interact. energy: -1.557
local terms energy: -261.598606
where:
bonds (distance) C4'-P energy: -69.619
bonds (distance) P-C4' energy: -78.543
flat angles C4'-P-C4' energy: -69.435
flat angles P-C4'-P energy: -33.755
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: 9, replica: 6
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -374.729982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.729982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.729982 (E_RNA)
where:
Base-Base interactions energy: -127.974
where: short stacking energy: -114.737
Base-Backbone interact. energy: 1.014
local terms energy: -247.769561
where:
bonds (distance) C4'-P energy: -79.005
bonds (distance) P-C4' energy: -69.937
flat angles C4'-P-C4' energy: -76.154
flat angles P-C4'-P energy: -30.078
tors. eta vs tors. theta energy: 7.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -360.317093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.317093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.317093 (E_RNA)
where:
Base-Base interactions energy: -104.232
where: short stacking energy: -90.814
Base-Backbone interact. energy: 3.674
local terms energy: -259.758782
where:
bonds (distance) C4'-P energy: -75.714
bonds (distance) P-C4' energy: -88.262
flat angles C4'-P-C4' energy: -72.499
flat angles P-C4'-P energy: -41.699
tors. eta vs tors. theta energy: 18.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -925.070111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.070111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.070111 (E_RNA)
where:
Base-Base interactions energy: -470.834
where: short stacking energy: -350.620
Base-Backbone interact. energy: 1.097
local terms energy: -455.333389
where:
bonds (distance) C4'-P energy: -94.405
bonds (distance) P-C4' energy: -98.520
flat angles C4'-P-C4' energy: -104.483
flat angles P-C4'-P energy: -59.670
tors. eta vs tors. theta energy: -98.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -689.912305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.912305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.912305 (E_RNA)
where:
Base-Base interactions energy: -293.766
where: short stacking energy: -257.126
Base-Backbone interact. energy: -1.065
local terms energy: -395.081478
where:
bonds (distance) C4'-P energy: -90.147
bonds (distance) P-C4' energy: -87.303
flat angles C4'-P-C4' energy: -100.380
flat angles P-C4'-P energy: -61.266
tors. eta vs tors. theta energy: -55.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -748.731738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.731738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.731738 (E_RNA)
where:
Base-Base interactions energy: -356.408
where: short stacking energy: -258.449
Base-Backbone interact. energy: -1.451
local terms energy: -390.872910
where:
bonds (distance) C4'-P energy: -87.302
bonds (distance) P-C4' energy: -95.429
flat angles C4'-P-C4' energy: -87.206
flat angles P-C4'-P energy: -63.406
tors. eta vs tors. theta energy: -57.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -680.615858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.615858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.615858 (E_RNA)
where:
Base-Base interactions energy: -313.138
where: short stacking energy: -231.297
Base-Backbone interact. energy: -1.750
local terms energy: -365.728326
where:
bonds (distance) C4'-P energy: -84.273
bonds (distance) P-C4' energy: -84.806
flat angles C4'-P-C4' energy: -90.752
flat angles P-C4'-P energy: -53.865
tors. eta vs tors. theta energy: -52.032
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: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -610.433329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.433329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.433329 (E_RNA)
where:
Base-Base interactions energy: -260.682
where: short stacking energy: -198.514
Base-Backbone interact. energy: -0.204
local terms energy: -349.546613
where:
bonds (distance) C4'-P energy: -82.088
bonds (distance) P-C4' energy: -89.675
flat angles C4'-P-C4' energy: -89.430
flat angles P-C4'-P energy: -49.121
tors. eta vs tors. theta energy: -39.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -509.163171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.163171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.163171 (E_RNA)
where:
Base-Base interactions energy: -205.885
where: short stacking energy: -159.758
Base-Backbone interact. energy: 8.431
local terms energy: -311.709092
where:
bonds (distance) C4'-P energy: -71.407
bonds (distance) P-C4' energy: -92.149
flat angles C4'-P-C4' energy: -68.213
flat angles P-C4'-P energy: -54.750
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: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -436.694823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.694823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.694823 (E_RNA)
where:
Base-Base interactions energy: -162.309
where: short stacking energy: -134.305
Base-Backbone interact. energy: -0.801
local terms energy: -273.585368
where:
bonds (distance) C4'-P energy: -81.090
bonds (distance) P-C4' energy: -75.634
flat angles C4'-P-C4' energy: -71.010
flat angles P-C4'-P energy: -39.629
tors. eta vs tors. theta energy: -6.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -436.371531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.371531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.371531 (E_RNA)
where:
Base-Base interactions energy: -143.265
where: short stacking energy: -114.561
Base-Backbone interact. energy: 6.288
local terms energy: -299.395056
where:
bonds (distance) C4'-P energy: -83.574
bonds (distance) P-C4' energy: -87.294
flat angles C4'-P-C4' energy: -74.580
flat angles P-C4'-P energy: -52.964
tors. eta vs tors. theta energy: -0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -398.042997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.042997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.042997 (E_RNA)
where:
Base-Base interactions energy: -151.683
where: short stacking energy: -126.534
Base-Backbone interact. energy: -2.419
local terms energy: -243.941905
where:
bonds (distance) C4'-P energy: -78.662
bonds (distance) P-C4' energy: -85.284
flat angles C4'-P-C4' energy: -52.561
flat angles P-C4'-P energy: -25.135
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -328.768360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.768360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.768360 (E_RNA)
where:
Base-Base interactions energy: -87.129
where: short stacking energy: -71.172
Base-Backbone interact. energy: -2.564
local terms energy: -239.075576
where:
bonds (distance) C4'-P energy: -76.892
bonds (distance) P-C4' energy: -67.290
flat angles C4'-P-C4' energy: -70.702
flat angles P-C4'-P energy: -42.343
tors. eta vs tors. theta energy: 18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -976.096190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.096190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.096190 (E_RNA)
where:
Base-Base interactions energy: -524.809
where: short stacking energy: -370.529
Base-Backbone interact. energy: 1.104
local terms energy: -452.390526
where:
bonds (distance) C4'-P energy: -95.959
bonds (distance) P-C4' energy: -92.928
flat angles C4'-P-C4' energy: -99.080
flat angles P-C4'-P energy: -65.915
tors. eta vs tors. theta energy: -98.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -876.073715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.073715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.073715 (E_RNA)
where:
Base-Base interactions energy: -456.927
where: short stacking energy: -322.360
Base-Backbone interact. energy: 1.738
local terms energy: -420.884893
where:
bonds (distance) C4'-P energy: -84.685
bonds (distance) P-C4' energy: -90.829
flat angles C4'-P-C4' energy: -97.588
flat angles P-C4'-P energy: -63.676
tors. eta vs tors. theta energy: -84.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -714.950276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.950276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.950276 (E_RNA)
where:
Base-Base interactions energy: -317.388
where: short stacking energy: -269.493
Base-Backbone interact. energy: -0.562
local terms energy: -397.000469
where:
bonds (distance) C4'-P energy: -89.618
bonds (distance) P-C4' energy: -97.209
flat angles C4'-P-C4' energy: -91.186
flat angles P-C4'-P energy: -54.016
tors. eta vs tors. theta energy: -64.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -640.707216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.707216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.707216 (E_RNA)
where:
Base-Base interactions energy: -274.018
where: short stacking energy: -216.706
Base-Backbone interact. energy: -0.869
local terms energy: -365.819694
where:
bonds (distance) C4'-P energy: -82.182
bonds (distance) P-C4' energy: -96.161
flat angles C4'-P-C4' energy: -83.406
flat angles P-C4'-P energy: -59.655
tors. eta vs tors. theta energy: -44.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -633.237290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.237290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.237290 (E_RNA)
where:
Base-Base interactions energy: -292.111
where: short stacking energy: -224.462
Base-Backbone interact. energy: -0.724
local terms energy: -340.402424
where:
bonds (distance) C4'-P energy: -79.906
bonds (distance) P-C4' energy: -88.832
flat angles C4'-P-C4' energy: -78.630
flat angles P-C4'-P energy: -47.277
tors. eta vs tors. theta energy: -45.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -512.208348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.208348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.208348 (E_RNA)
where:
Base-Base interactions energy: -221.401
where: short stacking energy: -171.703
Base-Backbone interact. energy: -1.939
local terms energy: -288.868195
where:
bonds (distance) C4'-P energy: -75.316
bonds (distance) P-C4' energy: -76.127
flat angles C4'-P-C4' energy: -67.975
flat angles P-C4'-P energy: -47.421
tors. eta vs tors. theta energy: -22.028
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: 9
Temperature: 1.200000
Total energy: -476.445176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.445176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.445176 (E_RNA)
where:
Base-Base interactions energy: -180.318
where: short stacking energy: -146.529
Base-Backbone interact. energy: 1.402
local terms energy: -297.530040
where:
bonds (distance) C4'-P energy: -81.509
bonds (distance) P-C4' energy: -81.419
flat angles C4'-P-C4' energy: -88.966
flat angles P-C4'-P energy: -42.473
tors. eta vs tors. theta energy: -3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -429.204135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.204135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.204135 (E_RNA)
where:
Base-Base interactions energy: -174.491
where: short stacking energy: -152.063
Base-Backbone interact. energy: 3.170
local terms energy: -257.882995
where:
bonds (distance) C4'-P energy: -70.410
bonds (distance) P-C4' energy: -81.098
flat angles C4'-P-C4' energy: -79.884
flat angles P-C4'-P energy: -31.265
tors. eta vs tors. theta energy: 4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -383.398947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.398947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.398947 (E_RNA)
where:
Base-Base interactions energy: -136.984
where: short stacking energy: -106.043
Base-Backbone interact. energy: 1.671
local terms energy: -248.086125
where:
bonds (distance) C4'-P energy: -66.323
bonds (distance) P-C4' energy: -86.108
flat angles C4'-P-C4' energy: -61.587
flat angles P-C4'-P energy: -35.524
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: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -370.543013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.543013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.543013 (E_RNA)
where:
Base-Base interactions energy: -92.931
where: short stacking energy: -91.273
Base-Backbone interact. energy: 0.226
local terms energy: -277.837802
where:
bonds (distance) C4'-P energy: -70.774
bonds (distance) P-C4' energy: -86.440
flat angles C4'-P-C4' energy: -78.772
flat angles P-C4'-P energy: -38.011
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -967.399941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.399941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.399941 (E_RNA)
where:
Base-Base interactions energy: -513.054
where: short stacking energy: -332.952
Base-Backbone interact. energy: -1.256
local terms energy: -453.089150
where:
bonds (distance) C4'-P energy: -99.889
bonds (distance) P-C4' energy: -98.785
flat angles C4'-P-C4' energy: -104.176
flat angles P-C4'-P energy: -57.988
tors. eta vs tors. theta energy: -92.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -873.226027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.226027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.226027 (E_RNA)
where:
Base-Base interactions energy: -449.870
where: short stacking energy: -315.239
Base-Backbone interact. energy: -0.841
local terms energy: -422.515533
where:
bonds (distance) C4'-P energy: -94.966
bonds (distance) P-C4' energy: -93.008
flat angles C4'-P-C4' energy: -100.413
flat angles P-C4'-P energy: -58.629
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: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -712.546439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.546439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.546439 (E_RNA)
where:
Base-Base interactions energy: -339.489
where: short stacking energy: -258.246
Base-Backbone interact. energy: -1.388
local terms energy: -371.668646
where:
bonds (distance) C4'-P energy: -90.348
bonds (distance) P-C4' energy: -76.888
flat angles C4'-P-C4' energy: -84.663
flat angles P-C4'-P energy: -62.627
tors. eta vs tors. theta energy: -57.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -672.205949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.205949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.205949 (E_RNA)
where:
Base-Base interactions energy: -308.418
where: short stacking energy: -247.015
Base-Backbone interact. energy: -0.933
local terms energy: -362.854365
where:
bonds (distance) C4'-P energy: -98.204
bonds (distance) P-C4' energy: -82.436
flat angles C4'-P-C4' energy: -84.763
flat angles P-C4'-P energy: -55.876
tors. eta vs tors. theta energy: -41.575
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: 7
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -674.306467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.306467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.306467 (E_RNA)
where:
Base-Base interactions energy: -290.831
where: short stacking energy: -229.907
Base-Backbone interact. energy: 0.346
local terms energy: -383.821246
where:
bonds (distance) C4'-P energy: -89.157
bonds (distance) P-C4' energy: -88.506
flat angles C4'-P-C4' energy: -91.582
flat angles P-C4'-P energy: -55.955
tors. eta vs tors. theta energy: -58.621
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: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -523.008715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.008715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.008715 (E_RNA)
where:
Base-Base interactions energy: -212.457
where: short stacking energy: -154.220
Base-Backbone interact. energy: -2.077
local terms energy: -308.474568
where:
bonds (distance) C4'-P energy: -92.010
bonds (distance) P-C4' energy: -86.667
flat angles C4'-P-C4' energy: -63.250
flat angles P-C4'-P energy: -49.061
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -474.837908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.837908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.837908 (E_RNA)
where:
Base-Base interactions energy: -168.799
where: short stacking energy: -158.851
Base-Backbone interact. energy: -2.576
local terms energy: -303.462762
where:
bonds (distance) C4'-P energy: -84.381
bonds (distance) P-C4' energy: -92.018
flat angles C4'-P-C4' energy: -59.881
flat angles P-C4'-P energy: -51.510
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -419.859671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.859671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.859671 (E_RNA)
where:
Base-Base interactions energy: -141.463
where: short stacking energy: -135.579
Base-Backbone interact. energy: -2.068
local terms energy: -276.329388
where:
bonds (distance) C4'-P energy: -81.774
bonds (distance) P-C4' energy: -71.130
flat angles C4'-P-C4' energy: -77.767
flat angles P-C4'-P energy: -34.906
tors. eta vs tors. theta energy: -10.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -405.572221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.572221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.572221 (E_RNA)
where:
Base-Base interactions energy: -132.649
where: short stacking energy: -116.564
Base-Backbone interact. energy: -0.272
local terms energy: -272.650749
where:
bonds (distance) C4'-P energy: -69.933
bonds (distance) P-C4' energy: -69.577
flat angles C4'-P-C4' energy: -82.556
flat angles P-C4'-P energy: -52.596
tors. eta vs tors. theta energy: 2.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -362.666922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.666922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.666922 (E_RNA)
where:
Base-Base interactions energy: -114.567
where: short stacking energy: -107.965
Base-Backbone interact. energy: 3.248
local terms energy: -251.348007
where:
bonds (distance) C4'-P energy: -74.290
bonds (distance) P-C4' energy: -79.123
flat angles C4'-P-C4' energy: -70.800
flat angles P-C4'-P energy: -39.299
tors. eta vs tors. theta energy: 12.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -938.211816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.211816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.211816 (E_RNA)
where:
Base-Base interactions energy: -482.598
where: short stacking energy: -342.130
Base-Backbone interact. energy: 0.632
local terms energy: -456.245372
where:
bonds (distance) C4'-P energy: -98.235
bonds (distance) P-C4' energy: -99.191
flat angles C4'-P-C4' energy: -109.163
flat angles P-C4'-P energy: -58.214
tors. eta vs tors. theta energy: -91.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -876.209360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.209360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.209360 (E_RNA)
where:
Base-Base interactions energy: -464.153
where: short stacking energy: -344.186
Base-Backbone interact. energy: -1.283
local terms energy: -410.773940
where:
bonds (distance) C4'-P energy: -87.226
bonds (distance) P-C4' energy: -92.704
flat angles C4'-P-C4' energy: -90.140
flat angles P-C4'-P energy: -60.753
tors. eta vs tors. theta energy: -79.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -693.677086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.677086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.677086 (E_RNA)
where:
Base-Base interactions energy: -306.756
where: short stacking energy: -255.006
Base-Backbone interact. energy: 0.960
local terms energy: -387.880133
where:
bonds (distance) C4'-P energy: -83.267
bonds (distance) P-C4' energy: -95.166
flat angles C4'-P-C4' energy: -88.396
flat angles P-C4'-P energy: -68.297
tors. eta vs tors. theta energy: -52.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -657.273047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.273047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.273047 (E_RNA)
where:
Base-Base interactions energy: -284.441
where: short stacking energy: -236.383
Base-Backbone interact. energy: 1.461
local terms energy: -374.293860
where:
bonds (distance) C4'-P energy: -87.406
bonds (distance) P-C4' energy: -99.378
flat angles C4'-P-C4' energy: -85.884
flat angles P-C4'-P energy: -47.037
tors. eta vs tors. theta energy: -54.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -588.682314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.682314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.682314 (E_RNA)
where:
Base-Base interactions energy: -245.268
where: short stacking energy: -184.551
Base-Backbone interact. energy: -0.183
local terms energy: -343.231641
where:
bonds (distance) C4'-P energy: -90.896
bonds (distance) P-C4' energy: -84.038
flat angles C4'-P-C4' energy: -85.408
flat angles P-C4'-P energy: -50.655
tors. eta vs tors. theta energy: -32.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -481.509288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.509288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.509288 (E_RNA)
where:
Base-Base interactions energy: -210.147
where: short stacking energy: -175.607
Base-Backbone interact. energy: 2.770
local terms energy: -274.131701
where:
bonds (distance) C4'-P energy: -81.134
bonds (distance) P-C4' energy: -64.167
flat angles C4'-P-C4' energy: -67.735
flat angles P-C4'-P energy: -44.698
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: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -447.044807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.044807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.044807 (E_RNA)
where:
Base-Base interactions energy: -160.448
where: short stacking energy: -149.810
Base-Backbone interact. energy: -0.482
local terms energy: -286.115086
where:
bonds (distance) C4'-P energy: -75.507
bonds (distance) P-C4' energy: -87.780
flat angles C4'-P-C4' energy: -70.882
flat angles P-C4'-P energy: -51.111
tors. eta vs tors. theta energy: -0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -410.731840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.731840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.731840 (E_RNA)
where:
Base-Base interactions energy: -148.277
where: short stacking energy: -125.167
Base-Backbone interact. energy: 4.656
local terms energy: -267.111131
where:
bonds (distance) C4'-P energy: -87.906
bonds (distance) P-C4' energy: -76.059
flat angles C4'-P-C4' energy: -62.320
flat angles P-C4'-P energy: -39.766
tors. eta vs tors. theta energy: -1.059
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: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -362.335481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.335481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.335481 (E_RNA)
where:
Base-Base interactions energy: -110.402
where: short stacking energy: -102.515
Base-Backbone interact. energy: -1.462
local terms energy: -250.471418
where:
bonds (distance) C4'-P energy: -67.977
bonds (distance) P-C4' energy: -75.589
flat angles C4'-P-C4' energy: -73.544
flat angles P-C4'-P energy: -43.083
tors. eta vs tors. theta energy: 9.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -353.128212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.128212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.128212 (E_RNA)
where:
Base-Base interactions energy: -114.985
where: short stacking energy: -82.876
Base-Backbone interact. energy: 0.186
local terms energy: -238.329264
where:
bonds (distance) C4'-P energy: -84.022
bonds (distance) P-C4' energy: -77.367
flat angles C4'-P-C4' energy: -72.084
flat angles P-C4'-P energy: -32.729
tors. eta vs tors. theta energy: 27.873
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: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -962.157715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.157715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.157715 (E_RNA)
where:
Base-Base interactions energy: -491.445
where: short stacking energy: -352.906
Base-Backbone interact. energy: -0.037
local terms energy: -470.675634
where:
bonds (distance) C4'-P energy: -93.990
bonds (distance) P-C4' energy: -102.396
flat angles C4'-P-C4' energy: -102.373
flat angles P-C4'-P energy: -72.165
tors. eta vs tors. theta energy: -99.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -894.751362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.751362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.751362 (E_RNA)
where:
Base-Base interactions energy: -460.635
where: short stacking energy: -336.996
Base-Backbone interact. energy: -2.163
local terms energy: -431.953268
where:
bonds (distance) C4'-P energy: -92.938
bonds (distance) P-C4' energy: -86.304
flat angles C4'-P-C4' energy: -96.016
flat angles P-C4'-P energy: -65.050
tors. eta vs tors. theta energy: -91.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -698.550458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.550458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.550458 (E_RNA)
where:
Base-Base interactions energy: -296.749
where: short stacking energy: -266.591
Base-Backbone interact. energy: -0.508
local terms energy: -401.293100
where:
bonds (distance) C4'-P energy: -90.186
bonds (distance) P-C4' energy: -86.774
flat angles C4'-P-C4' energy: -89.701
flat angles P-C4'-P energy: -67.665
tors. eta vs tors. theta energy: -66.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -716.138990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.138990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.138990 (E_RNA)
where:
Base-Base interactions energy: -325.692
where: short stacking energy: -267.449
Base-Backbone interact. energy: -0.721
local terms energy: -389.725376
where:
bonds (distance) C4'-P energy: -99.333
bonds (distance) P-C4' energy: -87.802
flat angles C4'-P-C4' energy: -80.814
flat angles P-C4'-P energy: -66.552
tors. eta vs tors. theta energy: -55.225
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: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -614.832937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.832937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.832937 (E_RNA)
where:
Base-Base interactions energy: -268.561
where: short stacking energy: -211.827
Base-Backbone interact. energy: 1.124
local terms energy: -347.395992
where:
bonds (distance) C4'-P energy: -86.075
bonds (distance) P-C4' energy: -87.648
flat angles C4'-P-C4' energy: -81.282
flat angles P-C4'-P energy: -56.625
tors. eta vs tors. theta energy: -35.766
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: 8
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -504.293394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.293394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.293394 (E_RNA)
where:
Base-Base interactions energy: -171.617
where: short stacking energy: -141.555
Base-Backbone interact. energy: -2.637
local terms energy: -330.038696
where:
bonds (distance) C4'-P energy: -91.575
bonds (distance) P-C4' energy: -91.314
flat angles C4'-P-C4' energy: -79.571
flat angles P-C4'-P energy: -50.284
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -451.599183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.599183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.599183 (E_RNA)
where:
Base-Base interactions energy: -198.322
where: short stacking energy: -148.693
Base-Backbone interact. energy: -0.159
local terms energy: -253.118488
where:
bonds (distance) C4'-P energy: -68.467
bonds (distance) P-C4' energy: -82.558
flat angles C4'-P-C4' energy: -64.144
flat angles P-C4'-P energy: -35.384
tors. eta vs tors. theta energy: -2.566
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: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -399.540238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.540238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.540238 (E_RNA)
where:
Base-Base interactions energy: -138.328
where: short stacking energy: -127.262
Base-Backbone interact. energy: 4.735
local terms energy: -265.947058
where:
bonds (distance) C4'-P energy: -71.392
bonds (distance) P-C4' energy: -88.981
flat angles C4'-P-C4' energy: -73.662
flat angles P-C4'-P energy: -38.837
tors. eta vs tors. theta energy: 6.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -399.057243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.057243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.057243 (E_RNA)
where:
Base-Base interactions energy: -141.291
where: short stacking energy: -113.832
Base-Backbone interact. energy: 4.421
local terms energy: -262.187497
where:
bonds (distance) C4'-P energy: -79.689
bonds (distance) P-C4' energy: -81.813
flat angles C4'-P-C4' energy: -67.322
flat angles P-C4'-P energy: -41.737
tors. eta vs tors. theta energy: 8.374
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: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -354.885154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.885154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.885154 (E_RNA)
where:
Base-Base interactions energy: -121.029
where: short stacking energy: -112.814
Base-Backbone interact. energy: 5.249
local terms energy: -239.105285
where:
bonds (distance) C4'-P energy: -66.078
bonds (distance) P-C4' energy: -78.010
flat angles C4'-P-C4' energy: -67.816
flat angles P-C4'-P energy: -47.835
tors. eta vs tors. theta energy: 20.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -956.624294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.624294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.624294 (E_RNA)
where:
Base-Base interactions energy: -524.946
where: short stacking energy: -367.326
Base-Backbone interact. energy: -0.365
local terms energy: -431.314217
where:
bonds (distance) C4'-P energy: -94.225
bonds (distance) P-C4' energy: -95.204
flat angles C4'-P-C4' energy: -94.913
flat angles P-C4'-P energy: -60.830
tors. eta vs tors. theta energy: -86.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -863.186383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.186383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.186383 (E_RNA)
where:
Base-Base interactions energy: -451.995
where: short stacking energy: -339.591
Base-Backbone interact. energy: -0.124
local terms energy: -411.067363
where:
bonds (distance) C4'-P energy: -75.225
bonds (distance) P-C4' energy: -95.510
flat angles C4'-P-C4' energy: -95.931
flat angles P-C4'-P energy: -56.973
tors. eta vs tors. theta energy: -87.428
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: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -660.069619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.069619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.069619 (E_RNA)
where:
Base-Base interactions energy: -294.780
where: short stacking energy: -261.424
Base-Backbone interact. energy: -0.035
local terms energy: -365.254416
where:
bonds (distance) C4'-P energy: -91.003
bonds (distance) P-C4' energy: -86.406
flat angles C4'-P-C4' energy: -93.186
flat angles P-C4'-P energy: -43.257
tors. eta vs tors. theta energy: -51.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -720.741867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.741867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.741867 (E_RNA)
where:
Base-Base interactions energy: -357.309
where: short stacking energy: -240.558
Base-Backbone interact. energy: -1.995
local terms energy: -361.437403
where:
bonds (distance) C4'-P energy: -88.803
bonds (distance) P-C4' energy: -82.984
flat angles C4'-P-C4' energy: -85.493
flat angles P-C4'-P energy: -57.324
tors. eta vs tors. theta energy: -46.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -599.123519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.123519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.123519 (E_RNA)
where:
Base-Base interactions energy: -283.095
where: short stacking energy: -228.106
Base-Backbone interact. energy: -0.147
local terms energy: -315.881656
where:
bonds (distance) C4'-P energy: -76.975
bonds (distance) P-C4' energy: -86.478
flat angles C4'-P-C4' energy: -82.302
flat angles P-C4'-P energy: -36.658
tors. eta vs tors. theta energy: -33.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -526.545118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.545118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.545118 (E_RNA)
where:
Base-Base interactions energy: -202.579
where: short stacking energy: -153.348
Base-Backbone interact. energy: -0.016
local terms energy: -323.950436
where:
bonds (distance) C4'-P energy: -82.683
bonds (distance) P-C4' energy: -96.115
flat angles C4'-P-C4' energy: -82.016
flat angles P-C4'-P energy: -48.019
tors. eta vs tors. theta energy: -15.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -439.059522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.059522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.059522 (E_RNA)
where:
Base-Base interactions energy: -161.096
where: short stacking energy: -152.525
Base-Backbone interact. energy: -1.758
local terms energy: -276.205880
where:
bonds (distance) C4'-P energy: -67.105
bonds (distance) P-C4' energy: -88.885
flat angles C4'-P-C4' energy: -64.509
flat angles P-C4'-P energy: -43.122
tors. eta vs tors. theta energy: -12.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -432.835785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.835785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.835785 (E_RNA)
where:
Base-Base interactions energy: -152.226
where: short stacking energy: -140.080
Base-Backbone interact. energy: 1.969
local terms energy: -282.578497
where:
bonds (distance) C4'-P energy: -93.731
bonds (distance) P-C4' energy: -76.203
flat angles C4'-P-C4' energy: -56.493
flat angles P-C4'-P energy: -50.518
tors. eta vs tors. theta energy: -5.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -369.025166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.025166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.025166 (E_RNA)
where:
Base-Base interactions energy: -145.565
where: short stacking energy: -119.854
Base-Backbone interact. energy: 7.089
local terms energy: -230.549257
where:
bonds (distance) C4'-P energy: -72.962
bonds (distance) P-C4' energy: -73.383
flat angles C4'-P-C4' energy: -62.442
flat angles P-C4'-P energy: -42.391
tors. eta vs tors. theta energy: 20.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -331.349979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.349979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.349979 (E_RNA)
where:
Base-Base interactions energy: -123.177
where: short stacking energy: -91.398
Base-Backbone interact. energy: 5.867
local terms energy: -214.040553
where:
bonds (distance) C4'-P energy: -78.392
bonds (distance) P-C4' energy: -75.367
flat angles C4'-P-C4' energy: -49.544
flat angles P-C4'-P energy: -39.713
tors. eta vs tors. theta energy: 28.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -964.740225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.740225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.740225 (E_RNA)
where:
Base-Base interactions energy: -526.806
where: short stacking energy: -331.276
Base-Backbone interact. energy: -0.271
local terms energy: -437.662868
where:
bonds (distance) C4'-P energy: -97.013
bonds (distance) P-C4' energy: -93.020
flat angles C4'-P-C4' energy: -95.593
flat angles P-C4'-P energy: -67.489
tors. eta vs tors. theta energy: -84.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -896.435885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.435885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.435885 (E_RNA)
where:
Base-Base interactions energy: -474.845
where: short stacking energy: -326.063
Base-Backbone interact. energy: -1.751
local terms energy: -419.839450
where:
bonds (distance) C4'-P energy: -81.467
bonds (distance) P-C4' energy: -94.099
flat angles C4'-P-C4' energy: -101.148
flat angles P-C4'-P energy: -57.281
tors. eta vs tors. theta energy: -85.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -791.354067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.354067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.354067 (E_RNA)
where:
Base-Base interactions energy: -402.639
where: short stacking energy: -283.925
Base-Backbone interact. energy: -1.509
local terms energy: -387.205752
where:
bonds (distance) C4'-P energy: -76.229
bonds (distance) P-C4' energy: -95.639
flat angles C4'-P-C4' energy: -86.408
flat angles P-C4'-P energy: -62.102
tors. eta vs tors. theta energy: -66.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -617.637865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.637865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.637865 (E_RNA)
where:
Base-Base interactions energy: -287.384
where: short stacking energy: -214.728
Base-Backbone interact. energy: 1.681
local terms energy: -331.934933
where:
bonds (distance) C4'-P energy: -70.369
bonds (distance) P-C4' energy: -83.187
flat angles C4'-P-C4' energy: -88.288
flat angles P-C4'-P energy: -55.464
tors. eta vs tors. theta energy: -34.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -554.108402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.108402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.108402 (E_RNA)
where:
Base-Base interactions energy: -234.313
where: short stacking energy: -185.753
Base-Backbone interact. energy: 1.032
local terms energy: -320.827611
where:
bonds (distance) C4'-P energy: -81.247
bonds (distance) P-C4' energy: -82.857
flat angles C4'-P-C4' energy: -72.480
flat angles P-C4'-P energy: -57.298
tors. eta vs tors. theta energy: -26.946
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: 8
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -502.231606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.231606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.231606 (E_RNA)
where:
Base-Base interactions energy: -215.574
where: short stacking energy: -192.893
Base-Backbone interact. energy: 0.585
local terms energy: -287.243186
where:
bonds (distance) C4'-P energy: -65.017
bonds (distance) P-C4' energy: -83.053
flat angles C4'-P-C4' energy: -78.467
flat angles P-C4'-P energy: -44.495
tors. eta vs tors. theta energy: -16.211
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: 5
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -476.037575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.037575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.037575 (E_RNA)
where:
Base-Base interactions energy: -180.306
where: short stacking energy: -166.254
Base-Backbone interact. energy: 3.722
local terms energy: -299.453464
where:
bonds (distance) C4'-P energy: -65.905
bonds (distance) P-C4' energy: -85.313
flat angles C4'-P-C4' energy: -67.406
flat angles P-C4'-P energy: -53.700
tors. eta vs tors. theta energy: -27.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -417.091699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.091699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.091699 (E_RNA)
where:
Base-Base interactions energy: -170.390
where: short stacking energy: -136.284
Base-Backbone interact. energy: -1.156
local terms energy: -245.545645
where:
bonds (distance) C4'-P energy: -79.007
bonds (distance) P-C4' energy: -74.510
flat angles C4'-P-C4' energy: -57.221
flat angles P-C4'-P energy: -37.884
tors. eta vs tors. theta energy: 3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -365.498859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.498859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.498859 (E_RNA)
where:
Base-Base interactions energy: -120.906
where: short stacking energy: -88.814
Base-Backbone interact. energy: 4.509
local terms energy: -249.102247
where:
bonds (distance) C4'-P energy: -89.248
bonds (distance) P-C4' energy: -81.598
flat angles C4'-P-C4' energy: -57.774
flat angles P-C4'-P energy: -36.393
tors. eta vs tors. theta energy: 15.911
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: 14
Temperature: 1.350000
Total energy: -356.838278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.838278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.838278 (E_RNA)
where:
Base-Base interactions energy: -106.364
where: short stacking energy: -77.514
Base-Backbone interact. energy: -0.792
local terms energy: -249.682056
where:
bonds (distance) C4'-P energy: -74.341
bonds (distance) P-C4' energy: -89.628
flat angles C4'-P-C4' energy: -82.972
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: 15.638
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: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -981.814347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.814347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.814347 (E_RNA)
where:
Base-Base interactions energy: -523.723
where: short stacking energy: -335.542
Base-Backbone interact. energy: -3.113
local terms energy: -454.978678
where:
bonds (distance) C4'-P energy: -90.570
bonds (distance) P-C4' energy: -106.207
flat angles C4'-P-C4' energy: -104.793
flat angles P-C4'-P energy: -68.451
tors. eta vs tors. theta energy: -84.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -855.805325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.805325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.805325 (E_RNA)
where:
Base-Base interactions energy: -446.060
where: short stacking energy: -301.142
Base-Backbone interact. energy: -0.952
local terms energy: -408.793360
where:
bonds (distance) C4'-P energy: -88.334
bonds (distance) P-C4' energy: -93.220
flat angles C4'-P-C4' energy: -95.785
flat angles P-C4'-P energy: -61.347
tors. eta vs tors. theta energy: -70.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -788.740286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.740286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.740286 (E_RNA)
where:
Base-Base interactions energy: -381.961
where: short stacking energy: -295.967
Base-Backbone interact. energy: 0.040
local terms energy: -406.819033
where:
bonds (distance) C4'-P energy: -82.213
bonds (distance) P-C4' energy: -83.714
flat angles C4'-P-C4' energy: -98.183
flat angles P-C4'-P energy: -64.585
tors. eta vs tors. theta energy: -78.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -659.800479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.800479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.800479 (E_RNA)
where:
Base-Base interactions energy: -289.493
where: short stacking energy: -240.692
Base-Backbone interact. energy: -1.031
local terms energy: -369.276999
where:
bonds (distance) C4'-P energy: -81.619
bonds (distance) P-C4' energy: -86.921
flat angles C4'-P-C4' energy: -85.887
flat angles P-C4'-P energy: -61.902
tors. eta vs tors. theta energy: -52.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -609.894734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.894734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.894734 (E_RNA)
where:
Base-Base interactions energy: -286.311
where: short stacking energy: -204.905
Base-Backbone interact. energy: 2.590
local terms energy: -326.172997
where:
bonds (distance) C4'-P energy: -76.426
bonds (distance) P-C4' energy: -92.242
flat angles C4'-P-C4' energy: -84.397
flat angles P-C4'-P energy: -48.320
tors. eta vs tors. theta energy: -24.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -489.317955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.317955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.317955 (E_RNA)
where:
Base-Base interactions energy: -177.158
where: short stacking energy: -172.990
Base-Backbone interact. energy: 0.812
local terms energy: -312.972174
where:
bonds (distance) C4'-P energy: -92.178
bonds (distance) P-C4' energy: -72.975
flat angles C4'-P-C4' energy: -80.056
flat angles P-C4'-P energy: -48.705
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -441.561669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.561669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.561669 (E_RNA)
where:
Base-Base interactions energy: -158.597
where: short stacking energy: -135.408
Base-Backbone interact. energy: -1.991
local terms energy: -280.973776
where:
bonds (distance) C4'-P energy: -82.922
bonds (distance) P-C4' energy: -84.183
flat angles C4'-P-C4' energy: -72.335
flat angles P-C4'-P energy: -31.001
tors. eta vs tors. theta energy: -10.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -425.019026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.019026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.019026 (E_RNA)
where:
Base-Base interactions energy: -155.380
where: short stacking energy: -127.900
Base-Backbone interact. energy: -2.222
local terms energy: -267.416910
where:
bonds (distance) C4'-P energy: -78.251
bonds (distance) P-C4' energy: -78.731
flat angles C4'-P-C4' energy: -69.742
flat angles P-C4'-P energy: -42.872
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: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -381.498983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.498983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.498983 (E_RNA)
where:
Base-Base interactions energy: -122.356
where: short stacking energy: -109.981
Base-Backbone interact. energy: 5.918
local terms energy: -265.061147
where:
bonds (distance) C4'-P energy: -82.133
bonds (distance) P-C4' energy: -73.087
flat angles C4'-P-C4' energy: -70.837
flat angles P-C4'-P energy: -42.486
tors. eta vs tors. theta energy: 3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -358.919295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.919295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.919295 (E_RNA)
where:
Base-Base interactions energy: -128.418
where: short stacking energy: -104.483
Base-Backbone interact. energy: -0.572
local terms energy: -229.928897
where:
bonds (distance) C4'-P energy: -76.199
bonds (distance) P-C4' energy: -82.270
flat angles C4'-P-C4' energy: -59.507
flat angles P-C4'-P energy: -38.154
tors. eta vs tors. theta energy: 26.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -920.866017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.866017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.866017 (E_RNA)
where:
Base-Base interactions energy: -506.363
where: short stacking energy: -286.178
Base-Backbone interact. energy: -2.633
local terms energy: -411.870305
where:
bonds (distance) C4'-P energy: -83.841
bonds (distance) P-C4' energy: -98.400
flat angles C4'-P-C4' energy: -91.680
flat angles P-C4'-P energy: -59.733
tors. eta vs tors. theta energy: -78.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -799.666220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.666220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.666220 (E_RNA)
where:
Base-Base interactions energy: -391.220
where: short stacking energy: -322.009
Base-Backbone interact. energy: -1.588
local terms energy: -406.858886
where:
bonds (distance) C4'-P energy: -83.323
bonds (distance) P-C4' energy: -84.757
flat angles C4'-P-C4' energy: -93.863
flat angles P-C4'-P energy: -57.787
tors. eta vs tors. theta energy: -87.128
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: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -649.894265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.894265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.894265 (E_RNA)
where:
Base-Base interactions energy: -288.798
where: short stacking energy: -205.901
Base-Backbone interact. energy: -0.099
local terms energy: -360.997427
where:
bonds (distance) C4'-P energy: -92.056
bonds (distance) P-C4' energy: -88.411
flat angles C4'-P-C4' energy: -83.313
flat angles P-C4'-P energy: -59.075
tors. eta vs tors. theta energy: -38.143
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: 7
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -593.680103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.680103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.680103 (E_RNA)
where:
Base-Base interactions energy: -291.683
where: short stacking energy: -211.955
Base-Backbone interact. energy: -1.940
local terms energy: -300.057114
where:
bonds (distance) C4'-P energy: -76.120
bonds (distance) P-C4' energy: -84.815
flat angles C4'-P-C4' energy: -67.498
flat angles P-C4'-P energy: -47.774
tors. eta vs tors. theta energy: -23.850
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: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -486.147824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.147824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.147824 (E_RNA)
where:
Base-Base interactions energy: -182.388
where: short stacking energy: -173.335
Base-Backbone interact. energy: -1.420
local terms energy: -302.339944
where:
bonds (distance) C4'-P energy: -72.305
bonds (distance) P-C4' energy: -77.077
flat angles C4'-P-C4' energy: -86.641
flat angles P-C4'-P energy: -49.171
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -472.276593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.276593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.276593 (E_RNA)
where:
Base-Base interactions energy: -163.936
where: short stacking energy: -146.317
Base-Backbone interact. energy: 2.483
local terms energy: -310.823853
where:
bonds (distance) C4'-P energy: -79.673
bonds (distance) P-C4' energy: -95.891
flat angles C4'-P-C4' energy: -74.061
flat angles P-C4'-P energy: -40.287
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -421.582655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.582655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.582655 (E_RNA)
where:
Base-Base interactions energy: -163.947
where: short stacking energy: -155.317
Base-Backbone interact. energy: -0.307
local terms energy: -257.329291
where:
bonds (distance) C4'-P energy: -71.034
bonds (distance) P-C4' energy: -76.097
flat angles C4'-P-C4' energy: -59.358
flat angles P-C4'-P energy: -50.674
tors. eta vs tors. theta energy: -0.166
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: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -371.884408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.884408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.884408 (E_RNA)
where:
Base-Base interactions energy: -116.456
where: short stacking energy: -109.217
Base-Backbone interact. energy: -1.211
local terms energy: -254.216764
where:
bonds (distance) C4'-P energy: -77.693
bonds (distance) P-C4' energy: -72.143
flat angles C4'-P-C4' energy: -62.528
flat angles P-C4'-P energy: -46.967
tors. eta vs tors. theta energy: 5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -343.383912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.383912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.383912 (E_RNA)
where:
Base-Base interactions energy: -99.668
where: short stacking energy: -81.726
Base-Backbone interact. energy: -0.464
local terms energy: -243.252813
where:
bonds (distance) C4'-P energy: -85.461
bonds (distance) P-C4' energy: -76.695
flat angles C4'-P-C4' energy: -67.036
flat angles P-C4'-P energy: -30.265
tors. eta vs tors. theta energy: 16.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 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: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -878.369690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.369690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.369690 (E_RNA)
where:
Base-Base interactions energy: -476.476
where: short stacking energy: -309.379
Base-Backbone interact. energy: -1.640
local terms energy: -400.253682
where:
bonds (distance) C4'-P energy: -91.872
bonds (distance) P-C4' energy: -82.494
flat angles C4'-P-C4' energy: -97.876
flat angles P-C4'-P energy: -64.363
tors. eta vs tors. theta energy: -63.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -785.428349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.428349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.428349 (E_RNA)
where:
Base-Base interactions energy: -396.726
where: short stacking energy: -275.886
Base-Backbone interact. energy: -1.804
local terms energy: -386.898290
where:
bonds (distance) C4'-P energy: -82.764
bonds (distance) P-C4' energy: -103.913
flat angles C4'-P-C4' energy: -86.945
flat angles P-C4'-P energy: -58.659
tors. eta vs tors. theta energy: -54.618
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: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -645.661065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.661065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.661065 (E_RNA)
where:
Base-Base interactions energy: -303.084
where: short stacking energy: -241.396
Base-Backbone interact. energy: 0.051
local terms energy: -342.627713
where:
bonds (distance) C4'-P energy: -80.144
bonds (distance) P-C4' energy: -85.323
flat angles C4'-P-C4' energy: -74.734
flat angles P-C4'-P energy: -49.502
tors. eta vs tors. theta energy: -52.925
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: 7
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -535.696423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.696423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.696423 (E_RNA)
where:
Base-Base interactions energy: -218.523
where: short stacking energy: -205.147
Base-Backbone interact. energy: 3.054
local terms energy: -320.227506
where:
bonds (distance) C4'-P energy: -78.877
bonds (distance) P-C4' energy: -85.025
flat angles C4'-P-C4' energy: -88.249
flat angles P-C4'-P energy: -33.123
tors. eta vs tors. theta energy: -34.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -492.494603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.494603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.494603 (E_RNA)
where:
Base-Base interactions energy: -171.954
where: short stacking energy: -160.735
Base-Backbone interact. energy: -1.792
local terms energy: -318.749438
where:
bonds (distance) C4'-P energy: -85.458
bonds (distance) P-C4' energy: -88.656
flat angles C4'-P-C4' energy: -77.338
flat angles P-C4'-P energy: -41.764
tors. eta vs tors. theta energy: -25.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -479.848817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.848817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.848817 (E_RNA)
where:
Base-Base interactions energy: -185.145
where: short stacking energy: -164.530
Base-Backbone interact. energy: 0.523
local terms energy: -295.226972
where:
bonds (distance) C4'-P energy: -80.331
bonds (distance) P-C4' energy: -88.909
flat angles C4'-P-C4' energy: -61.784
flat angles P-C4'-P energy: -36.760
tors. eta vs tors. theta energy: -27.443
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: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -414.870065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.870065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.870065 (E_RNA)
where:
Base-Base interactions energy: -146.781
where: short stacking energy: -112.265
Base-Backbone interact. energy: -2.559
local terms energy: -265.529393
where:
bonds (distance) C4'-P energy: -69.081
bonds (distance) P-C4' energy: -99.389
flat angles C4'-P-C4' energy: -68.377
flat angles P-C4'-P energy: -30.095
tors. eta vs tors. theta energy: 1.413
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: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -365.830282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.830282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.830282 (E_RNA)
where:
Base-Base interactions energy: -111.038
where: short stacking energy: -90.126
Base-Backbone interact. energy: -0.110
local terms energy: -254.682256
where:
bonds (distance) C4'-P energy: -74.076
bonds (distance) P-C4' energy: -89.133
flat angles C4'-P-C4' energy: -65.706
flat angles P-C4'-P energy: -37.073
tors. eta vs tors. theta energy: 11.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -362.580369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.580369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.580369 (E_RNA)
where:
Base-Base interactions energy: -105.134
where: short stacking energy: -90.157
Base-Backbone interact. energy: -0.817
local terms energy: -256.628504
where:
bonds (distance) C4'-P energy: -73.663
bonds (distance) P-C4' energy: -93.460
flat angles C4'-P-C4' energy: -61.746
flat angles P-C4'-P energy: -34.357
tors. eta vs tors. theta energy: 6.597
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: 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: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -925.979339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.979339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.979339 (E_RNA)
where:
Base-Base interactions energy: -505.350
where: short stacking energy: -330.328
Base-Backbone interact. energy: -1.069
local terms energy: -419.560703
where:
bonds (distance) C4'-P energy: -96.588
bonds (distance) P-C4' energy: -90.180
flat angles C4'-P-C4' energy: -96.288
flat angles P-C4'-P energy: -56.387
tors. eta vs tors. theta energy: -80.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -797.343769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.343769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.343769 (E_RNA)
where:
Base-Base interactions energy: -412.008
where: short stacking energy: -286.659
Base-Backbone interact. energy: 1.984
local terms energy: -387.320015
where:
bonds (distance) C4'-P energy: -91.726
bonds (distance) P-C4' energy: -88.331
flat angles C4'-P-C4' energy: -86.643
flat angles P-C4'-P energy: -54.717
tors. eta vs tors. theta energy: -65.903
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: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -647.454874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.454874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.454874 (E_RNA)
where:
Base-Base interactions energy: -305.915
where: short stacking energy: -196.260
Base-Backbone interact. energy: -1.320
local terms energy: -340.219439
where:
bonds (distance) C4'-P energy: -89.846
bonds (distance) P-C4' energy: -72.081
flat angles C4'-P-C4' energy: -85.061
flat angles P-C4'-P energy: -64.206
tors. eta vs tors. theta energy: -29.026
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: 7
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -609.458662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.458662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.458662 (E_RNA)
where:
Base-Base interactions energy: -254.600
where: short stacking energy: -197.650
Base-Backbone interact. energy: 0.365
local terms energy: -355.224000
where:
bonds (distance) C4'-P energy: -71.019
bonds (distance) P-C4' energy: -94.039
flat angles C4'-P-C4' energy: -90.332
flat angles P-C4'-P energy: -49.399
tors. eta vs tors. theta energy: -50.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -562.137595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.137595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.137595 (E_RNA)
where:
Base-Base interactions energy: -260.008
where: short stacking energy: -204.610
Base-Backbone interact. energy: -2.116
local terms energy: -300.013818
where:
bonds (distance) C4'-P energy: -65.336
bonds (distance) P-C4' energy: -76.195
flat angles C4'-P-C4' energy: -69.437
flat angles P-C4'-P energy: -55.964
tors. eta vs tors. theta energy: -33.082
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: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -470.116578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.116578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.116578 (E_RNA)
where:
Base-Base interactions energy: -191.732
where: short stacking energy: -140.724
Base-Backbone interact. energy: -1.311
local terms energy: -277.073432
where:
bonds (distance) C4'-P energy: -82.444
bonds (distance) P-C4' energy: -92.223
flat angles C4'-P-C4' energy: -67.461
flat angles P-C4'-P energy: -42.144
tors. eta vs tors. theta energy: 7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -398.771308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.771308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.771308 (E_RNA)
where:
Base-Base interactions energy: -128.351
where: short stacking energy: -117.809
Base-Backbone interact. energy: -0.695
local terms energy: -269.726114
where:
bonds (distance) C4'-P energy: -73.115
bonds (distance) P-C4' energy: -92.046
flat angles C4'-P-C4' energy: -79.362
flat angles P-C4'-P energy: -31.205
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: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -387.853664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.853664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.853664 (E_RNA)
where:
Base-Base interactions energy: -135.997
where: short stacking energy: -130.448
Base-Backbone interact. energy: -0.583
local terms energy: -251.273846
where:
bonds (distance) C4'-P energy: -77.958
bonds (distance) P-C4' energy: -72.558
flat angles C4'-P-C4' energy: -66.786
flat angles P-C4'-P energy: -39.257
tors. eta vs tors. theta energy: 5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -330.892755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.892755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.892755 (E_RNA)
where:
Base-Base interactions energy: -90.634
where: short stacking energy: -75.980
Base-Backbone interact. energy: -1.847
local terms energy: -238.412121
where:
bonds (distance) C4'-P energy: -83.147
bonds (distance) P-C4' energy: -78.353
flat angles C4'-P-C4' energy: -76.942
flat angles P-C4'-P energy: -29.619
tors. eta vs tors. theta energy: 29.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 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: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -930.719673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.719673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.719673 (E_RNA)
where:
Base-Base interactions energy: -506.155
where: short stacking energy: -304.958
Base-Backbone interact. energy: 0.042
local terms energy: -424.606790
where:
bonds (distance) C4'-P energy: -93.297
bonds (distance) P-C4' energy: -94.870
flat angles C4'-P-C4' energy: -91.463
flat angles P-C4'-P energy: -62.536
tors. eta vs tors. theta energy: -82.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -776.136525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.136525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.136525 (E_RNA)
where:
Base-Base interactions energy: -381.315
where: short stacking energy: -258.038
Base-Backbone interact. energy: 1.550
local terms energy: -396.372164
where:
bonds (distance) C4'-P energy: -96.712
bonds (distance) P-C4' energy: -97.265
flat angles C4'-P-C4' energy: -85.057
flat angles P-C4'-P energy: -54.525
tors. eta vs tors. theta energy: -62.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -605.492598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.492598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.492598 (E_RNA)
where:
Base-Base interactions energy: -258.612
where: short stacking energy: -204.265
Base-Backbone interact. energy: -1.202
local terms energy: -345.679353
where:
bonds (distance) C4'-P energy: -85.953
bonds (distance) P-C4' energy: -78.544
flat angles C4'-P-C4' energy: -85.513
flat angles P-C4'-P energy: -54.732
tors. eta vs tors. theta energy: -40.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -519.361616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.361616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.361616 (E_RNA)
where:
Base-Base interactions energy: -201.239
where: short stacking energy: -171.150
Base-Backbone interact. energy: -0.989
local terms energy: -317.133909
where:
bonds (distance) C4'-P energy: -75.024
bonds (distance) P-C4' energy: -87.717
flat angles C4'-P-C4' energy: -83.287
flat angles P-C4'-P energy: -58.133
tors. eta vs tors. theta energy: -12.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -504.556188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.556188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.556188 (E_RNA)
where:
Base-Base interactions energy: -225.534
where: short stacking energy: -170.030
Base-Backbone interact. energy: -2.030
local terms energy: -276.992621
where:
bonds (distance) C4'-P energy: -70.513
bonds (distance) P-C4' energy: -65.114
flat angles C4'-P-C4' energy: -76.473
flat angles P-C4'-P energy: -54.010
tors. eta vs tors. theta energy: -10.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -437.454141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.454141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.454141 (E_RNA)
where:
Base-Base interactions energy: -168.207
where: short stacking energy: -130.428
Base-Backbone interact. energy: 0.488
local terms energy: -269.735613
where:
bonds (distance) C4'-P energy: -74.493
bonds (distance) P-C4' energy: -87.977
flat angles C4'-P-C4' energy: -77.261
flat angles P-C4'-P energy: -31.410
tors. eta vs tors. theta energy: 1.405
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: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -443.903713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.903713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.903713 (E_RNA)
where:
Base-Base interactions energy: -146.011
where: short stacking energy: -127.375
Base-Backbone interact. energy: 0.682
local terms energy: -298.574741
where:
bonds (distance) C4'-P energy: -73.050
bonds (distance) P-C4' energy: -90.853
flat angles C4'-P-C4' energy: -84.904
flat angles P-C4'-P energy: -52.925
tors. eta vs tors. theta energy: 3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -365.292744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.292744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.292744 (E_RNA)
where:
Base-Base interactions energy: -85.444
where: short stacking energy: -80.055
Base-Backbone interact. energy: -0.836
local terms energy: -279.012158
where:
bonds (distance) C4'-P energy: -87.983
bonds (distance) P-C4' energy: -84.863
flat angles C4'-P-C4' energy: -73.151
flat angles P-C4'-P energy: -41.764
tors. eta vs tors. theta energy: 8.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -367.923257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.923257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.923257 (E_RNA)
where:
Base-Base interactions energy: -124.506
where: short stacking energy: -87.398
Base-Backbone interact. energy: 0.914
local terms energy: -244.330741
where:
bonds (distance) C4'-P energy: -77.792
bonds (distance) P-C4' energy: -76.916
flat angles C4'-P-C4' energy: -57.286
flat angles P-C4'-P energy: -40.141
tors. eta vs tors. theta energy: 7.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -977.596694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.596694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.596694 (E_RNA)
where:
Base-Base interactions energy: -541.776
where: short stacking energy: -343.683
Base-Backbone interact. energy: 0.336
local terms energy: -436.156583
where:
bonds (distance) C4'-P energy: -89.295
bonds (distance) P-C4' energy: -93.315
flat angles C4'-P-C4' energy: -93.663
flat angles P-C4'-P energy: -63.919
tors. eta vs tors. theta energy: -95.965
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: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -727.569375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.569375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.569375 (E_RNA)
where:
Base-Base interactions energy: -336.819
where: short stacking energy: -256.686
Base-Backbone interact. energy: -1.586
local terms energy: -389.164454
where:
bonds (distance) C4'-P energy: -81.441
bonds (distance) P-C4' energy: -93.520
flat angles C4'-P-C4' energy: -86.959
flat angles P-C4'-P energy: -61.321
tors. eta vs tors. theta energy: -65.923
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: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -712.139370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.139370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.139370 (E_RNA)
where:
Base-Base interactions energy: -335.551
where: short stacking energy: -256.047
Base-Backbone interact. energy: -1.186
local terms energy: -375.402644
where:
bonds (distance) C4'-P energy: -76.863
bonds (distance) P-C4' energy: -92.181
flat angles C4'-P-C4' energy: -86.029
flat angles P-C4'-P energy: -61.515
tors. eta vs tors. theta energy: -58.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -642.216761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.216761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.216761 (E_RNA)
where:
Base-Base interactions energy: -330.433
where: short stacking energy: -195.269
Base-Backbone interact. energy: 0.441
local terms energy: -312.224946
where:
bonds (distance) C4'-P energy: -87.776
bonds (distance) P-C4' energy: -80.042
flat angles C4'-P-C4' energy: -77.023
flat angles P-C4'-P energy: -48.875
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: 6, replica: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -481.852396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.852396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.852396 (E_RNA)
where:
Base-Base interactions energy: -186.132
where: short stacking energy: -171.685
Base-Backbone interact. energy: 5.525
local terms energy: -301.245760
where:
bonds (distance) C4'-P energy: -80.451
bonds (distance) P-C4' energy: -93.014
flat angles C4'-P-C4' energy: -55.368
flat angles P-C4'-P energy: -47.216
tors. eta vs tors. theta energy: -25.197
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: 5
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -441.889992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.889992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.889992 (E_RNA)
where:
Base-Base interactions energy: -152.478
where: short stacking energy: -142.376
Base-Backbone interact. energy: 0.644
local terms energy: -290.056303
where:
bonds (distance) C4'-P energy: -86.860
bonds (distance) P-C4' energy: -82.686
flat angles C4'-P-C4' energy: -77.150
flat angles P-C4'-P energy: -52.448
tors. eta vs tors. theta energy: 9.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -400.350744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.350744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.350744 (E_RNA)
where:
Base-Base interactions energy: -133.792
where: short stacking energy: -128.681
Base-Backbone interact. energy: 4.388
local terms energy: -270.946856
where:
bonds (distance) C4'-P energy: -76.527
bonds (distance) P-C4' energy: -94.083
flat angles C4'-P-C4' energy: -64.067
flat angles P-C4'-P energy: -33.759
tors. eta vs tors. theta energy: -2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -398.437803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.437803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.437803 (E_RNA)
where:
Base-Base interactions energy: -134.142
where: short stacking energy: -115.891
Base-Backbone interact. energy: 0.483
local terms energy: -264.778873
where:
bonds (distance) C4'-P energy: -77.160
bonds (distance) P-C4' energy: -74.622
flat angles C4'-P-C4' energy: -68.285
flat angles P-C4'-P energy: -49.392
tors. eta vs tors. theta energy: 4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -395.568953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.568953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.568953 (E_RNA)
where:
Base-Base interactions energy: -127.290
where: short stacking energy: -98.720
Base-Backbone interact. energy: -1.101
local terms energy: -267.177807
where:
bonds (distance) C4'-P energy: -78.830
bonds (distance) P-C4' energy: -84.511
flat angles C4'-P-C4' energy: -69.224
flat angles P-C4'-P energy: -48.910
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: 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: -975.558854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.558854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.558854 (E_RNA)
where:
Base-Base interactions energy: -549.766
where: short stacking energy: -357.622
Base-Backbone interact. energy: -0.963
local terms energy: -424.829356
where:
bonds (distance) C4'-P energy: -80.444
bonds (distance) P-C4' energy: -84.486
flat angles C4'-P-C4' energy: -104.439
flat angles P-C4'-P energy: -59.783
tors. eta vs tors. theta energy: -95.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -777.040559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.040559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.040559 (E_RNA)
where:
Base-Base interactions energy: -387.897
where: short stacking energy: -245.736
Base-Backbone interact. energy: -3.629
local terms energy: -385.514343
where:
bonds (distance) C4'-P energy: -84.217
bonds (distance) P-C4' energy: -90.362
flat angles C4'-P-C4' energy: -107.647
flat angles P-C4'-P energy: -56.079
tors. eta vs tors. theta energy: -47.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -666.543072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.543072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.543072 (E_RNA)
where:
Base-Base interactions energy: -295.109
where: short stacking energy: -216.504
Base-Backbone interact. energy: -1.605
local terms energy: -369.828917
where:
bonds (distance) C4'-P energy: -92.799
bonds (distance) P-C4' energy: -72.972
flat angles C4'-P-C4' energy: -92.487
flat angles P-C4'-P energy: -61.839
tors. eta vs tors. theta energy: -49.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -652.378709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.378709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.378709 (E_RNA)
where:
Base-Base interactions energy: -285.093
where: short stacking energy: -206.064
Base-Backbone interact. energy: -0.308
local terms energy: -366.977454
where:
bonds (distance) C4'-P energy: -86.272
bonds (distance) P-C4' energy: -97.487
flat angles C4'-P-C4' energy: -70.751
flat angles P-C4'-P energy: -59.835
tors. eta vs tors. theta energy: -52.633
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: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -502.448103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.448103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.448103 (E_RNA)
where:
Base-Base interactions energy: -178.016
where: short stacking energy: -147.824
Base-Backbone interact. energy: -0.808
local terms energy: -323.624292
where:
bonds (distance) C4'-P energy: -83.867
bonds (distance) P-C4' energy: -88.781
flat angles C4'-P-C4' energy: -87.283
flat angles P-C4'-P energy: -44.974
tors. eta vs tors. theta energy: -18.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -469.186490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.186490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.186490 (E_RNA)
where:
Base-Base interactions energy: -169.095
where: short stacking energy: -133.718
Base-Backbone interact. energy: 0.966
local terms energy: -301.057977
where:
bonds (distance) C4'-P energy: -87.859
bonds (distance) P-C4' energy: -83.316
flat angles C4'-P-C4' energy: -80.855
flat angles P-C4'-P energy: -48.536
tors. eta vs tors. theta energy: -0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -427.742635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.742635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.742635 (E_RNA)
where:
Base-Base interactions energy: -137.737
where: short stacking energy: -128.719
Base-Backbone interact. energy: -1.366
local terms energy: -288.639649
where:
bonds (distance) C4'-P energy: -72.697
bonds (distance) P-C4' energy: -89.248
flat angles C4'-P-C4' energy: -70.502
flat angles P-C4'-P energy: -51.280
tors. eta vs tors. theta energy: -4.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -380.286334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.286334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.286334 (E_RNA)
where:
Base-Base interactions energy: -145.079
where: short stacking energy: -109.623
Base-Backbone interact. energy: 0.553
local terms energy: -235.760130
where:
bonds (distance) C4'-P energy: -85.033
bonds (distance) P-C4' energy: -82.314
flat angles C4'-P-C4' energy: -56.149
flat angles P-C4'-P energy: -29.800
tors. eta vs tors. theta energy: 17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -361.822486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.822486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.822486 (E_RNA)
where:
Base-Base interactions energy: -126.387
where: short stacking energy: -111.014
Base-Backbone interact. energy: 0.547
local terms energy: -235.982829
where:
bonds (distance) C4'-P energy: -82.664
bonds (distance) P-C4' energy: -79.106
flat angles C4'-P-C4' energy: -56.173
flat angles P-C4'-P energy: -36.728
tors. eta vs tors. theta energy: 18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: -965.290737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.290737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.290737 (E_RNA)
where:
Base-Base interactions energy: -544.101
where: short stacking energy: -350.706
Base-Backbone interact. energy: -1.407
local terms energy: -419.782761
where:
bonds (distance) C4'-P energy: -82.607
bonds (distance) P-C4' energy: -94.461
flat angles C4'-P-C4' energy: -84.232
flat angles P-C4'-P energy: -61.230
tors. eta vs tors. theta energy: -97.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -779.403683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.403683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.403683 (E_RNA)
where:
Base-Base interactions energy: -395.404
where: short stacking energy: -290.298
Base-Backbone interact. energy: -0.955
local terms energy: -383.045238
where:
bonds (distance) C4'-P energy: -76.005
bonds (distance) P-C4' energy: -91.195
flat angles C4'-P-C4' energy: -99.308
flat angles P-C4'-P energy: -46.675
tors. eta vs tors. theta energy: -69.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -679.237247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.237247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.237247 (E_RNA)
where:
Base-Base interactions energy: -303.012
where: short stacking energy: -233.665
Base-Backbone interact. energy: 1.341
local terms energy: -377.565315
where:
bonds (distance) C4'-P energy: -89.811
bonds (distance) P-C4' energy: -82.873
flat angles C4'-P-C4' energy: -94.154
flat angles P-C4'-P energy: -59.199
tors. eta vs tors. theta energy: -51.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -651.627359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.627359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.627359 (E_RNA)
where:
Base-Base interactions energy: -326.024
where: short stacking energy: -211.860
Base-Backbone interact. energy: -0.701
local terms energy: -324.901953
where:
bonds (distance) C4'-P energy: -75.614
bonds (distance) P-C4' energy: -83.763
flat angles C4'-P-C4' energy: -83.666
flat angles P-C4'-P energy: -40.676
tors. eta vs tors. theta energy: -41.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -514.072629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.072629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.072629 (E_RNA)
where:
Base-Base interactions energy: -197.484
where: short stacking energy: -188.775
Base-Backbone interact. energy: -1.161
local terms energy: -315.427149
where:
bonds (distance) C4'-P energy: -79.386
bonds (distance) P-C4' energy: -79.444
flat angles C4'-P-C4' energy: -79.720
flat angles P-C4'-P energy: -51.213
tors. eta vs tors. theta energy: -25.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -469.851993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.851993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.851993 (E_RNA)
where:
Base-Base interactions energy: -192.238
where: short stacking energy: -160.281
Base-Backbone interact. energy: -2.283
local terms energy: -275.330795
where:
bonds (distance) C4'-P energy: -65.915
bonds (distance) P-C4' energy: -88.740
flat angles C4'-P-C4' energy: -59.127
flat angles P-C4'-P energy: -50.395
tors. eta vs tors. theta energy: -11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -475.258639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.258639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.258639 (E_RNA)
where:
Base-Base interactions energy: -177.762
where: short stacking energy: -119.827
Base-Backbone interact. energy: 3.650
local terms energy: -301.145872
where:
bonds (distance) C4'-P energy: -76.343
bonds (distance) P-C4' energy: -93.743
flat angles C4'-P-C4' energy: -83.993
flat angles P-C4'-P energy: -50.002
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: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -427.666619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.666619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.666619 (E_RNA)
where:
Base-Base interactions energy: -171.474
where: short stacking energy: -138.437
Base-Backbone interact. energy: 4.407
local terms energy: -260.599738
where:
bonds (distance) C4'-P energy: -74.811
bonds (distance) P-C4' energy: -68.055
flat angles C4'-P-C4' energy: -68.854
flat angles P-C4'-P energy: -53.091
tors. eta vs tors. theta energy: 4.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -340.536063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.536063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.536063 (E_RNA)
where:
Base-Base interactions energy: -109.508
where: short stacking energy: -95.683
Base-Backbone interact. energy: 0.780
local terms energy: -231.807596
where:
bonds (distance) C4'-P energy: -81.448
bonds (distance) P-C4' energy: -72.301
flat angles C4'-P-C4' energy: -62.842
flat angles P-C4'-P energy: -34.327
tors. eta vs tors. theta energy: 19.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: -993.883958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.883958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.883958 (E_RNA)
where:
Base-Base interactions energy: -557.764
where: short stacking energy: -375.827
Base-Backbone interact. energy: -0.907
local terms energy: -435.213182
where:
bonds (distance) C4'-P energy: -90.443
bonds (distance) P-C4' energy: -99.476
flat angles C4'-P-C4' energy: -95.392
flat angles P-C4'-P energy: -54.664
tors. eta vs tors. theta energy: -95.238
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: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -852.909333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.909333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.909333 (E_RNA)
where:
Base-Base interactions energy: -463.227
where: short stacking energy: -304.627
Base-Backbone interact. energy: 1.481
local terms energy: -391.163494
where:
bonds (distance) C4'-P energy: -89.129
bonds (distance) P-C4' energy: -73.305
flat angles C4'-P-C4' energy: -95.982
flat angles P-C4'-P energy: -57.469
tors. eta vs tors. theta energy: -75.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -689.535980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.535980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.535980 (E_RNA)
where:
Base-Base interactions energy: -343.560
where: short stacking energy: -234.183
Base-Backbone interact. energy: 0.102
local terms energy: -346.077549
where:
bonds (distance) C4'-P energy: -76.254
bonds (distance) P-C4' energy: -88.231
flat angles C4'-P-C4' energy: -84.583
flat angles P-C4'-P energy: -56.942
tors. eta vs tors. theta energy: -40.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -611.484925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.484925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.484925 (E_RNA)
where:
Base-Base interactions energy: -270.773
where: short stacking energy: -206.805
Base-Backbone interact. energy: -2.054
local terms energy: -338.657719
where:
bonds (distance) C4'-P energy: -85.668
bonds (distance) P-C4' energy: -83.438
flat angles C4'-P-C4' energy: -78.451
flat angles P-C4'-P energy: -46.251
tors. eta vs tors. theta energy: -44.850
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: 6, replica: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -523.774119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.774119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.774119 (E_RNA)
where:
Base-Base interactions energy: -205.395
where: short stacking energy: -160.115
Base-Backbone interact. energy: -0.339
local terms energy: -318.039729
where:
bonds (distance) C4'-P energy: -80.659
bonds (distance) P-C4' energy: -95.636
flat angles C4'-P-C4' energy: -84.491
flat angles P-C4'-P energy: -45.211
tors. eta vs tors. theta energy: -12.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -448.853015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.853015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.853015 (E_RNA)
where:
Base-Base interactions energy: -171.347
where: short stacking energy: -160.363
Base-Backbone interact. energy: -1.981
local terms energy: -275.525449
where:
bonds (distance) C4'-P energy: -72.010
bonds (distance) P-C4' energy: -89.379
flat angles C4'-P-C4' energy: -65.355
flat angles P-C4'-P energy: -46.640
tors. eta vs tors. theta energy: -2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -422.842719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.842719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.842719 (E_RNA)
where:
Base-Base interactions energy: -139.787
where: short stacking energy: -92.743
Base-Backbone interact. energy: -2.365
local terms energy: -280.691162
where:
bonds (distance) C4'-P energy: -74.444
bonds (distance) P-C4' energy: -84.662
flat angles C4'-P-C4' energy: -73.588
flat angles P-C4'-P energy: -49.937
tors. eta vs tors. theta energy: 1.941
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: 23
Temperature: 1.300000
Total energy: -390.543014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.543014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.543014 (E_RNA)
where:
Base-Base interactions energy: -141.790
where: short stacking energy: -121.697
Base-Backbone interact. energy: 4.621
local terms energy: -253.374388
where:
bonds (distance) C4'-P energy: -71.500
bonds (distance) P-C4' energy: -75.122
flat angles C4'-P-C4' energy: -70.457
flat angles P-C4'-P energy: -45.757
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: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -353.553283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.553283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.553283 (E_RNA)
where:
Base-Base interactions energy: -117.507
where: short stacking energy: -100.087
Base-Backbone interact. energy: -3.168
local terms energy: -232.878931
where:
bonds (distance) C4'-P energy: -75.404
bonds (distance) P-C4' energy: -66.603
flat angles C4'-P-C4' energy: -67.810
flat angles P-C4'-P energy: -53.460
tors. eta vs tors. theta energy: 30.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 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: -984.769914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.769914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.769914 (E_RNA)
where:
Base-Base interactions energy: -536.727
where: short stacking energy: -351.497
Base-Backbone interact. energy: 0.268
local terms energy: -448.310822
where:
bonds (distance) C4'-P energy: -92.717
bonds (distance) P-C4' energy: -95.933
flat angles C4'-P-C4' energy: -98.178
flat angles P-C4'-P energy: -69.315
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: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -924.469555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.469555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.469555 (E_RNA)
where:
Base-Base interactions energy: -498.968
where: short stacking energy: -316.217
Base-Backbone interact. energy: 2.827
local terms energy: -428.328129
where:
bonds (distance) C4'-P energy: -92.754
bonds (distance) P-C4' energy: -86.410
flat angles C4'-P-C4' energy: -99.376
flat angles P-C4'-P energy: -72.400
tors. eta vs tors. theta energy: -77.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -686.589580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.589580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.589580 (E_RNA)
where:
Base-Base interactions energy: -321.252
where: short stacking energy: -249.533
Base-Backbone interact. energy: -0.217
local terms energy: -365.120298
where:
bonds (distance) C4'-P energy: -85.732
bonds (distance) P-C4' energy: -86.834
flat angles C4'-P-C4' energy: -88.826
flat angles P-C4'-P energy: -49.801
tors. eta vs tors. theta energy: -53.928
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: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -600.626155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.626155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.626155 (E_RNA)
where:
Base-Base interactions energy: -238.209
where: short stacking energy: -199.444
Base-Backbone interact. energy: -1.799
local terms energy: -360.617735
where:
bonds (distance) C4'-P energy: -83.709
bonds (distance) P-C4' energy: -90.812
flat angles C4'-P-C4' energy: -96.497
flat angles P-C4'-P energy: -57.621
tors. eta vs tors. theta energy: -31.979
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: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -536.984788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.984788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.984788 (E_RNA)
where:
Base-Base interactions energy: -228.633
where: short stacking energy: -176.167
Base-Backbone interact. energy: -2.680
local terms energy: -305.671532
where:
bonds (distance) C4'-P energy: -81.260
bonds (distance) P-C4' energy: -97.280
flat angles C4'-P-C4' energy: -67.636
flat angles P-C4'-P energy: -48.310
tors. eta vs tors. theta energy: -11.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -453.464550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.464550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.464550 (E_RNA)
where:
Base-Base interactions energy: -182.386
where: short stacking energy: -152.836
Base-Backbone interact. energy: -2.778
local terms energy: -268.300276
where:
bonds (distance) C4'-P energy: -86.563
bonds (distance) P-C4' energy: -75.483
flat angles C4'-P-C4' energy: -62.285
flat angles P-C4'-P energy: -35.469
tors. eta vs tors. theta energy: -8.500
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: 24
Temperature: 1.250000
Total energy: -399.266679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.266679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.266679 (E_RNA)
where:
Base-Base interactions energy: -132.605
where: short stacking energy: -127.043
Base-Backbone interact. energy: 1.097
local terms energy: -267.758307
where:
bonds (distance) C4'-P energy: -86.805
bonds (distance) P-C4' energy: -73.691
flat angles C4'-P-C4' energy: -63.833
flat angles P-C4'-P energy: -38.183
tors. eta vs tors. theta energy: -5.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -374.210977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.210977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.210977 (E_RNA)
where:
Base-Base interactions energy: -133.868
where: short stacking energy: -101.616
Base-Backbone interact. energy: -0.358
local terms energy: -239.984871
where:
bonds (distance) C4'-P energy: -59.837
bonds (distance) P-C4' energy: -94.520
flat angles C4'-P-C4' energy: -56.301
flat angles P-C4'-P energy: -49.403
tors. eta vs tors. theta energy: 20.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -353.915458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.915458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.915458 (E_RNA)
where:
Base-Base interactions energy: -102.112
where: short stacking energy: -84.604
Base-Backbone interact. energy: 2.218
local terms energy: -254.021762
where:
bonds (distance) C4'-P energy: -63.257
bonds (distance) P-C4' energy: -84.561
flat angles C4'-P-C4' energy: -64.280
flat angles P-C4'-P energy: -51.515
tors. eta vs tors. theta energy: 9.592
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: 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: -1025.517409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.517409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.517409 (E_RNA)
where:
Base-Base interactions energy: -569.164
where: short stacking energy: -380.492
Base-Backbone interact. energy: -0.457
local terms energy: -455.896505
where:
bonds (distance) C4'-P energy: -87.641
bonds (distance) P-C4' energy: -97.358
flat angles C4'-P-C4' energy: -96.768
flat angles P-C4'-P energy: -56.655
tors. eta vs tors. theta energy: -117.474
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: 25
Temperature: 1.000000
Total energy: -878.434907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.434907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.434907 (E_RNA)
where:
Base-Base interactions energy: -484.917
where: short stacking energy: -315.875
Base-Backbone interact. energy: -0.633
local terms energy: -392.884882
where:
bonds (distance) C4'-P energy: -79.571
bonds (distance) P-C4' energy: -87.527
flat angles C4'-P-C4' energy: -97.508
flat angles P-C4'-P energy: -56.202
tors. eta vs tors. theta energy: -72.076
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: 8
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -737.880826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.880826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.880826 (E_RNA)
where:
Base-Base interactions energy: -333.168
where: short stacking energy: -236.514
Base-Backbone interact. energy: -1.699
local terms energy: -403.014637
where:
bonds (distance) C4'-P energy: -92.605
bonds (distance) P-C4' energy: -87.158
flat angles C4'-P-C4' energy: -93.854
flat angles P-C4'-P energy: -63.056
tors. eta vs tors. theta energy: -66.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -632.236566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.236566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.236566 (E_RNA)
where:
Base-Base interactions energy: -274.453
where: short stacking energy: -214.295
Base-Backbone interact. energy: 0.948
local terms energy: -358.731959
where:
bonds (distance) C4'-P energy: -78.355
bonds (distance) P-C4' energy: -93.176
flat angles C4'-P-C4' energy: -93.743
flat angles P-C4'-P energy: -50.856
tors. eta vs tors. theta energy: -42.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -570.353879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.353879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.353879 (E_RNA)
where:
Base-Base interactions energy: -244.023
where: short stacking energy: -169.556
Base-Backbone interact. energy: -3.669
local terms energy: -322.661666
where:
bonds (distance) C4'-P energy: -88.281
bonds (distance) P-C4' energy: -84.244
flat angles C4'-P-C4' energy: -89.676
flat angles P-C4'-P energy: -49.839
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: 7, replica: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -458.576965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.576965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.576965 (E_RNA)
where:
Base-Base interactions energy: -145.557
where: short stacking energy: -122.081
Base-Backbone interact. energy: 0.693
local terms energy: -313.712481
where:
bonds (distance) C4'-P energy: -91.166
bonds (distance) P-C4' energy: -99.085
flat angles C4'-P-C4' energy: -77.879
flat angles P-C4'-P energy: -41.109
tors. eta vs tors. theta energy: -4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -400.513349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.513349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.513349 (E_RNA)
where:
Base-Base interactions energy: -130.786
where: short stacking energy: -122.291
Base-Backbone interact. energy: 1.236
local terms energy: -270.963444
where:
bonds (distance) C4'-P energy: -64.485
bonds (distance) P-C4' energy: -85.902
flat angles C4'-P-C4' energy: -75.526
flat angles P-C4'-P energy: -39.727
tors. eta vs tors. theta energy: -5.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -406.324650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.324650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.324650 (E_RNA)
where:
Base-Base interactions energy: -138.305
where: short stacking energy: -109.405
Base-Backbone interact. energy: -1.503
local terms energy: -266.517113
where:
bonds (distance) C4'-P energy: -57.616
bonds (distance) P-C4' energy: -86.807
flat angles C4'-P-C4' energy: -72.666
flat angles P-C4'-P energy: -44.499
tors. eta vs tors. theta energy: -4.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -362.728952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.728952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.728952 (E_RNA)
where:
Base-Base interactions energy: -119.917
where: short stacking energy: -107.220
Base-Backbone interact. energy: 2.168
local terms energy: -244.979216
where:
bonds (distance) C4'-P energy: -69.847
bonds (distance) P-C4' energy: -72.442
flat angles C4'-P-C4' energy: -62.973
flat angles P-C4'-P energy: -46.639
tors. eta vs tors. theta energy: 6.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: -952.696668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.696668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.696668 (E_RNA)
where:
Base-Base interactions energy: -519.419
where: short stacking energy: -341.218
Base-Backbone interact. energy: 1.987
local terms energy: -435.264532
where:
bonds (distance) C4'-P energy: -95.965
bonds (distance) P-C4' energy: -92.758
flat angles C4'-P-C4' energy: -93.069
flat angles P-C4'-P energy: -65.909
tors. eta vs tors. theta energy: -87.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -889.423207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.423207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.423207 (E_RNA)
where:
Base-Base interactions energy: -459.321
where: short stacking energy: -322.212
Base-Backbone interact. energy: 1.036
local terms energy: -431.137595
where:
bonds (distance) C4'-P energy: -98.177
bonds (distance) P-C4' energy: -84.213
flat angles C4'-P-C4' energy: -103.416
flat angles P-C4'-P energy: -61.549
tors. eta vs tors. theta energy: -83.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -678.495151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.495151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.495151 (E_RNA)
where:
Base-Base interactions energy: -323.627
where: short stacking energy: -247.738
Base-Backbone interact. energy: -0.385
local terms energy: -354.483773
where:
bonds (distance) C4'-P energy: -87.329
bonds (distance) P-C4' energy: -82.512
flat angles C4'-P-C4' energy: -92.440
flat angles P-C4'-P energy: -48.751
tors. eta vs tors. theta energy: -43.452
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: 5, replica: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -598.744551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.744551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.744551 (E_RNA)
where:
Base-Base interactions energy: -275.071
where: short stacking energy: -224.724
Base-Backbone interact. energy: 1.158
local terms energy: -324.831596
where:
bonds (distance) C4'-P energy: -84.835
bonds (distance) P-C4' energy: -80.653
flat angles C4'-P-C4' energy: -84.424
flat angles P-C4'-P energy: -39.149
tors. eta vs tors. theta energy: -35.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -568.091309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.091309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.091309 (E_RNA)
where:
Base-Base interactions energy: -252.474
where: short stacking energy: -192.263
Base-Backbone interact. energy: -0.925
local terms energy: -314.692496
where:
bonds (distance) C4'-P energy: -81.441
bonds (distance) P-C4' energy: -83.694
flat angles C4'-P-C4' energy: -74.519
flat angles P-C4'-P energy: -43.805
tors. eta vs tors. theta energy: -31.234
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: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -427.490546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.490546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.490546 (E_RNA)
where:
Base-Base interactions energy: -146.004
where: short stacking energy: -112.597
Base-Backbone interact. energy: -0.246
local terms energy: -281.240730
where:
bonds (distance) C4'-P energy: -81.210
bonds (distance) P-C4' energy: -96.601
flat angles C4'-P-C4' energy: -77.786
flat angles P-C4'-P energy: -32.194
tors. eta vs tors. theta energy: 6.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -420.114142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.114142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.114142 (E_RNA)
where:
Base-Base interactions energy: -140.102
where: short stacking energy: -122.005
Base-Backbone interact. energy: -0.497
local terms energy: -279.515787
where:
bonds (distance) C4'-P energy: -74.676
bonds (distance) P-C4' energy: -98.383
flat angles C4'-P-C4' energy: -79.059
flat angles P-C4'-P energy: -35.219
tors. eta vs tors. theta energy: 7.821
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: 26
Temperature: 1.300000
Total energy: -421.229063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.229063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.229063 (E_RNA)
where:
Base-Base interactions energy: -175.582
where: short stacking energy: -156.640
Base-Backbone interact. energy: 4.844
local terms energy: -250.491611
where:
bonds (distance) C4'-P energy: -68.884
bonds (distance) P-C4' energy: -78.124
flat angles C4'-P-C4' energy: -50.123
flat angles P-C4'-P energy: -55.774
tors. eta vs tors. theta energy: 2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -378.262210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.262210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.262210 (E_RNA)
where:
Base-Base interactions energy: -110.514
where: short stacking energy: -103.084
Base-Backbone interact. energy: 1.314
local terms energy: -269.061864
where:
bonds (distance) C4'-P energy: -70.504
bonds (distance) P-C4' energy: -92.593
flat angles C4'-P-C4' energy: -72.614
flat angles P-C4'-P energy: -48.412
tors. eta vs tors. theta energy: 15.061
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: 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: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -938.774105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.774105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.774105 (E_RNA)
where:
Base-Base interactions energy: -506.640
where: short stacking energy: -341.096
Base-Backbone interact. energy: -1.941
local terms energy: -430.193424
where:
bonds (distance) C4'-P energy: -77.503
bonds (distance) P-C4' energy: -89.650
flat angles C4'-P-C4' energy: -98.240
flat angles P-C4'-P energy: -70.119
tors. eta vs tors. theta energy: -94.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -945.356367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.356367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.356367 (E_RNA)
where:
Base-Base interactions energy: -514.924
where: short stacking energy: -340.386
Base-Backbone interact. energy: -0.243
local terms energy: -430.190120
where:
bonds (distance) C4'-P energy: -86.975
bonds (distance) P-C4' energy: -89.124
flat angles C4'-P-C4' energy: -100.942
flat angles P-C4'-P energy: -62.879
tors. eta vs tors. theta energy: -90.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -708.206984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.206984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.206984 (E_RNA)
where:
Base-Base interactions energy: -337.493
where: short stacking energy: -250.790
Base-Backbone interact. energy: -2.045
local terms energy: -368.668992
where:
bonds (distance) C4'-P energy: -77.431
bonds (distance) P-C4' energy: -95.951
flat angles C4'-P-C4' energy: -86.000
flat angles P-C4'-P energy: -58.577
tors. eta vs tors. theta energy: -50.710
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: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -590.866843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.866843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.866843 (E_RNA)
where:
Base-Base interactions energy: -262.404
where: short stacking energy: -198.253
Base-Backbone interact. energy: 1.515
local terms energy: -329.977921
where:
bonds (distance) C4'-P energy: -82.460
bonds (distance) P-C4' energy: -87.235
flat angles C4'-P-C4' energy: -82.589
flat angles P-C4'-P energy: -46.968
tors. eta vs tors. theta energy: -30.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -596.793888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.793888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.793888 (E_RNA)
where:
Base-Base interactions energy: -268.169
where: short stacking energy: -210.745
Base-Backbone interact. energy: 2.020
local terms energy: -330.644492
where:
bonds (distance) C4'-P energy: -86.368
bonds (distance) P-C4' energy: -84.020
flat angles C4'-P-C4' energy: -74.157
flat angles P-C4'-P energy: -41.586
tors. eta vs tors. theta energy: -44.514
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: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -468.044974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.044974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.044974 (E_RNA)
where:
Base-Base interactions energy: -168.714
where: short stacking energy: -166.537
Base-Backbone interact. energy: -0.639
local terms energy: -298.692182
where:
bonds (distance) C4'-P energy: -74.358
bonds (distance) P-C4' energy: -87.106
flat angles C4'-P-C4' energy: -77.789
flat angles P-C4'-P energy: -48.539
tors. eta vs tors. theta energy: -10.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -430.036254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.036254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.036254 (E_RNA)
where:
Base-Base interactions energy: -162.070
where: short stacking energy: -130.435
Base-Backbone interact. energy: -2.772
local terms energy: -265.193706
where:
bonds (distance) C4'-P energy: -87.419
bonds (distance) P-C4' energy: -79.553
flat angles C4'-P-C4' energy: -66.224
flat angles P-C4'-P energy: -31.192
tors. eta vs tors. theta energy: -0.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -371.576680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.576680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.576680 (E_RNA)
where:
Base-Base interactions energy: -111.304
where: short stacking energy: -97.253
Base-Backbone interact. energy: 0.412
local terms energy: -260.684905
where:
bonds (distance) C4'-P energy: -78.350
bonds (distance) P-C4' energy: -85.437
flat angles C4'-P-C4' energy: -60.006
flat angles P-C4'-P energy: -37.244
tors. eta vs tors. theta energy: 0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -363.415465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.415465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.415465 (E_RNA)
where:
Base-Base interactions energy: -117.440
where: short stacking energy: -105.614
Base-Backbone interact. energy: -1.506
local terms energy: -244.469466
where:
bonds (distance) C4'-P energy: -79.899
bonds (distance) P-C4' energy: -57.452
flat angles C4'-P-C4' energy: -65.843
flat angles P-C4'-P energy: -50.904
tors. eta vs tors. theta energy: 9.628
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: 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: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -952.932559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.932559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.932559 (E_RNA)
where:
Base-Base interactions energy: -538.011
where: short stacking energy: -344.583
Base-Backbone interact. energy: -0.798
local terms energy: -414.123229
where:
bonds (distance) C4'-P energy: -75.013
bonds (distance) P-C4' energy: -98.415
flat angles C4'-P-C4' energy: -86.148
flat angles P-C4'-P energy: -58.930
tors. eta vs tors. theta energy: -95.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -909.784148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.784148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.784148 (E_RNA)
where:
Base-Base interactions energy: -478.252
where: short stacking energy: -312.583
Base-Backbone interact. energy: -1.175
local terms energy: -430.356902
where:
bonds (distance) C4'-P energy: -73.499
bonds (distance) P-C4' energy: -100.660
flat angles C4'-P-C4' energy: -95.218
flat angles P-C4'-P energy: -71.652
tors. eta vs tors. theta energy: -89.327
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: 8
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -685.651285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.651285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.651285 (E_RNA)
where:
Base-Base interactions energy: -328.864
where: short stacking energy: -222.666
Base-Backbone interact. energy: -1.476
local terms energy: -355.311397
where:
bonds (distance) C4'-P energy: -88.088
bonds (distance) P-C4' energy: -85.493
flat angles C4'-P-C4' energy: -89.739
flat angles P-C4'-P energy: -58.870
tors. eta vs tors. theta energy: -33.121
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: 5, replica: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -598.716866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.716866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.716866 (E_RNA)
where:
Base-Base interactions energy: -235.912
where: short stacking energy: -182.124
Base-Backbone interact. energy: -1.363
local terms energy: -361.442083
where:
bonds (distance) C4'-P energy: -91.470
bonds (distance) P-C4' energy: -97.256
flat angles C4'-P-C4' energy: -81.006
flat angles P-C4'-P energy: -59.788
tors. eta vs tors. theta energy: -31.922
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: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -538.237360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.237360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.237360 (E_RNA)
where:
Base-Base interactions energy: -241.900
where: short stacking energy: -183.272
Base-Backbone interact. energy: 1.143
local terms energy: -297.480521
where:
bonds (distance) C4'-P energy: -80.182
bonds (distance) P-C4' energy: -86.522
flat angles C4'-P-C4' energy: -75.436
flat angles P-C4'-P energy: -34.831
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -470.606856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.606856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.606856 (E_RNA)
where:
Base-Base interactions energy: -184.950
where: short stacking energy: -153.067
Base-Backbone interact. energy: -0.617
local terms energy: -285.038965
where:
bonds (distance) C4'-P energy: -86.503
bonds (distance) P-C4' energy: -78.581
flat angles C4'-P-C4' energy: -71.598
flat angles P-C4'-P energy: -38.606
tors. eta vs tors. theta energy: -9.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -425.693353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.693353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.693353 (E_RNA)
where:
Base-Base interactions energy: -138.765
where: short stacking energy: -132.511
Base-Backbone interact. energy: 1.921
local terms energy: -288.849397
where:
bonds (distance) C4'-P energy: -89.558
bonds (distance) P-C4' energy: -93.102
flat angles C4'-P-C4' energy: -77.893
flat angles P-C4'-P energy: -33.400
tors. eta vs tors. theta energy: 5.104
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: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -414.371831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.371831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.371831 (E_RNA)
where:
Base-Base interactions energy: -157.502
where: short stacking energy: -136.738
Base-Backbone interact. energy: 1.769
local terms energy: -258.639306
where:
bonds (distance) C4'-P energy: -79.426
bonds (distance) P-C4' energy: -90.020
flat angles C4'-P-C4' energy: -68.189
flat angles P-C4'-P energy: -26.914
tors. eta vs tors. theta energy: 5.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -367.202000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.202000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.202000 (E_RNA)
where:
Base-Base interactions energy: -109.536
where: short stacking energy: -97.946
Base-Backbone interact. energy: -0.476
local terms energy: -257.189668
where:
bonds (distance) C4'-P energy: -73.298
bonds (distance) P-C4' energy: -73.254
flat angles C4'-P-C4' energy: -77.194
flat angles P-C4'-P energy: -42.768
tors. eta vs tors. theta energy: 9.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: -966.038990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.038990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.038990 (E_RNA)
where:
Base-Base interactions energy: -535.149
where: short stacking energy: -344.483
Base-Backbone interact. energy: -1.626
local terms energy: -429.263441
where:
bonds (distance) C4'-P energy: -79.625
bonds (distance) P-C4' energy: -100.349
flat angles C4'-P-C4' energy: -97.487
flat angles P-C4'-P energy: -55.499
tors. eta vs tors. theta energy: -96.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -893.055751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.055751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.055751 (E_RNA)
where:
Base-Base interactions energy: -482.361
where: short stacking energy: -300.821
Base-Backbone interact. energy: 1.266
local terms energy: -411.960549
where:
bonds (distance) C4'-P energy: -91.107
bonds (distance) P-C4' energy: -91.753
flat angles C4'-P-C4' energy: -97.291
flat angles P-C4'-P energy: -62.705
tors. eta vs tors. theta energy: -69.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -691.664346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.664346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.664346 (E_RNA)
where:
Base-Base interactions energy: -338.614
where: short stacking energy: -239.112
Base-Backbone interact. energy: 1.968
local terms energy: -355.017927
where:
bonds (distance) C4'-P energy: -99.937
bonds (distance) P-C4' energy: -86.601
flat angles C4'-P-C4' energy: -84.713
flat angles P-C4'-P energy: -38.636
tors. eta vs tors. theta energy: -45.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -579.227488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.227488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.227488 (E_RNA)
where:
Base-Base interactions energy: -242.371
where: short stacking energy: -185.094
Base-Backbone interact. energy: -1.160
local terms energy: -335.696254
where:
bonds (distance) C4'-P energy: -94.337
bonds (distance) P-C4' energy: -83.102
flat angles C4'-P-C4' energy: -87.266
flat angles P-C4'-P energy: -48.959
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -508.524069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.524069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.524069 (E_RNA)
where:
Base-Base interactions energy: -199.982
where: short stacking energy: -179.457
Base-Backbone interact. energy: -0.987
local terms energy: -307.554445
where:
bonds (distance) C4'-P energy: -82.938
bonds (distance) P-C4' energy: -79.565
flat angles C4'-P-C4' energy: -80.115
flat angles P-C4'-P energy: -42.670
tors. eta vs tors. theta energy: -22.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -481.403020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.403020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.403020 (E_RNA)
where:
Base-Base interactions energy: -199.727
where: short stacking energy: -163.633
Base-Backbone interact. energy: 4.548
local terms energy: -286.224681
where:
bonds (distance) C4'-P energy: -81.019
bonds (distance) P-C4' energy: -73.499
flat angles C4'-P-C4' energy: -78.933
flat angles P-C4'-P energy: -32.719
tors. eta vs tors. theta energy: -20.055
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: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -414.824967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.824967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.824967 (E_RNA)
where:
Base-Base interactions energy: -171.901
where: short stacking energy: -139.825
Base-Backbone interact. energy: -0.584
local terms energy: -242.340251
where:
bonds (distance) C4'-P energy: -61.239
bonds (distance) P-C4' energy: -76.292
flat angles C4'-P-C4' energy: -58.320
flat angles P-C4'-P energy: -40.451
tors. eta vs tors. theta energy: -6.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -386.276249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.276249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.276249 (E_RNA)
where:
Base-Base interactions energy: -122.115
where: short stacking energy: -111.104
Base-Backbone interact. energy: -3.141
local terms energy: -261.019967
where:
bonds (distance) C4'-P energy: -80.040
bonds (distance) P-C4' energy: -80.008
flat angles C4'-P-C4' energy: -76.457
flat angles P-C4'-P energy: -32.451
tors. eta vs tors. theta energy: 7.935
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: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -341.253672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.253672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.253672 (E_RNA)
where:
Base-Base interactions energy: -87.345
where: short stacking energy: -91.527
Base-Backbone interact. energy: -3.246
local terms energy: -250.661872
where:
bonds (distance) C4'-P energy: -95.643
bonds (distance) P-C4' energy: -78.204
flat angles C4'-P-C4' energy: -54.348
flat angles P-C4'-P energy: -22.606
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: 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: -978.161669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.161669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.161669 (E_RNA)
where:
Base-Base interactions energy: -526.214
where: short stacking energy: -342.103
Base-Backbone interact. energy: 2.861
local terms energy: -454.808420
where:
bonds (distance) C4'-P energy: -84.958
bonds (distance) P-C4' energy: -99.521
flat angles C4'-P-C4' energy: -98.601
flat angles P-C4'-P energy: -67.064
tors. eta vs tors. theta energy: -104.664
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: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -907.359532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.359532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.359532 (E_RNA)
where:
Base-Base interactions energy: -511.963
where: short stacking energy: -323.678
Base-Backbone interact. energy: 3.691
local terms energy: -399.087818
where:
bonds (distance) C4'-P energy: -79.672
bonds (distance) P-C4' energy: -78.633
flat angles C4'-P-C4' energy: -91.756
flat angles P-C4'-P energy: -68.493
tors. eta vs tors. theta energy: -80.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -728.655456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.655456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.655456 (E_RNA)
where:
Base-Base interactions energy: -348.582
where: short stacking energy: -250.457
Base-Backbone interact. energy: -1.618
local terms energy: -378.456292
where:
bonds (distance) C4'-P energy: -71.609
bonds (distance) P-C4' energy: -83.013
flat angles C4'-P-C4' energy: -94.792
flat angles P-C4'-P energy: -71.608
tors. eta vs tors. theta energy: -57.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -585.706350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.706350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.706350 (E_RNA)
where:
Base-Base interactions energy: -253.757
where: short stacking energy: -176.588
Base-Backbone interact. energy: -0.417
local terms energy: -331.532051
where:
bonds (distance) C4'-P energy: -81.643
bonds (distance) P-C4' energy: -95.017
flat angles C4'-P-C4' energy: -79.691
flat angles P-C4'-P energy: -55.691
tors. eta vs tors. theta energy: -19.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -516.578107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.578107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.578107 (E_RNA)
where:
Base-Base interactions energy: -170.613
where: short stacking energy: -159.281
Base-Backbone interact. energy: -0.533
local terms energy: -345.432253
where:
bonds (distance) C4'-P energy: -92.293
bonds (distance) P-C4' energy: -97.162
flat angles C4'-P-C4' energy: -81.810
flat angles P-C4'-P energy: -59.033
tors. eta vs tors. theta energy: -15.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -510.296570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.296570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.296570 (E_RNA)
where:
Base-Base interactions energy: -201.081
where: short stacking energy: -159.356
Base-Backbone interact. energy: 2.473
local terms energy: -311.688688
where:
bonds (distance) C4'-P energy: -81.589
bonds (distance) P-C4' energy: -77.847
flat angles C4'-P-C4' energy: -86.204
flat angles P-C4'-P energy: -56.941
tors. eta vs tors. theta energy: -9.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -399.997512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.997512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.997512 (E_RNA)
where:
Base-Base interactions energy: -135.616
where: short stacking energy: -123.744
Base-Backbone interact. energy: -0.824
local terms energy: -263.557495
where:
bonds (distance) C4'-P energy: -73.946
bonds (distance) P-C4' energy: -87.147
flat angles C4'-P-C4' energy: -66.140
flat angles P-C4'-P energy: -38.881
tors. eta vs tors. theta energy: 2.557
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: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -393.323168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.323168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.323168 (E_RNA)
where:
Base-Base interactions energy: -122.954
where: short stacking energy: -95.186
Base-Backbone interact. energy: 0.171
local terms energy: -270.539980
where:
bonds (distance) C4'-P energy: -69.265
bonds (distance) P-C4' energy: -76.630
flat angles C4'-P-C4' energy: -90.162
flat angles P-C4'-P energy: -51.046
tors. eta vs tors. theta energy: 16.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -356.928449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.928449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.928449 (E_RNA)
where:
Base-Base interactions energy: -113.933
where: short stacking energy: -91.310
Base-Backbone interact. energy: -1.992
local terms energy: -241.003991
where:
bonds (distance) C4'-P energy: -59.609
bonds (distance) P-C4' energy: -81.862
flat angles C4'-P-C4' energy: -65.506
flat angles P-C4'-P energy: -47.322
tors. eta vs tors. theta energy: 13.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -958.985025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.985025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.985025 (E_RNA)
where:
Base-Base interactions energy: -511.644
where: short stacking energy: -339.566
Base-Backbone interact. energy: -0.111
local terms energy: -447.229390
where:
bonds (distance) C4'-P energy: -99.439
bonds (distance) P-C4' energy: -98.372
flat angles C4'-P-C4' energy: -87.536
flat angles P-C4'-P energy: -67.113
tors. eta vs tors. theta energy: -94.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -933.271124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.271124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.271124 (E_RNA)
where:
Base-Base interactions energy: -515.273
where: short stacking energy: -318.306
Base-Backbone interact. energy: -0.010
local terms energy: -417.988582
where:
bonds (distance) C4'-P energy: -87.389
bonds (distance) P-C4' energy: -82.394
flat angles C4'-P-C4' energy: -97.980
flat angles P-C4'-P energy: -62.218
tors. eta vs tors. theta energy: -88.007
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: 4, replica: 8
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -708.129171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.129171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.129171 (E_RNA)
where:
Base-Base interactions energy: -331.200
where: short stacking energy: -251.904
Base-Backbone interact. energy: 0.737
local terms energy: -377.666291
where:
bonds (distance) C4'-P energy: -89.178
bonds (distance) P-C4' energy: -96.386
flat angles C4'-P-C4' energy: -88.312
flat angles P-C4'-P energy: -50.898
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: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -582.616198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.616198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.616198 (E_RNA)
where:
Base-Base interactions energy: -252.330
where: short stacking energy: -190.632
Base-Backbone interact. energy: -1.465
local terms energy: -328.821063
where:
bonds (distance) C4'-P energy: -75.398
bonds (distance) P-C4' energy: -86.192
flat angles C4'-P-C4' energy: -78.992
flat angles P-C4'-P energy: -60.685
tors. eta vs tors. theta energy: -27.554
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: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -523.473597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.473597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.473597 (E_RNA)
where:
Base-Base interactions energy: -205.579
where: short stacking energy: -166.831
Base-Backbone interact. energy: -0.243
local terms energy: -317.651986
where:
bonds (distance) C4'-P energy: -84.872
bonds (distance) P-C4' energy: -82.290
flat angles C4'-P-C4' energy: -81.068
flat angles P-C4'-P energy: -45.411
tors. eta vs tors. theta energy: -24.011
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: 1
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -449.683515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.683515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.683515 (E_RNA)
where:
Base-Base interactions energy: -156.731
where: short stacking energy: -150.201
Base-Backbone interact. energy: -1.660
local terms energy: -291.292244
where:
bonds (distance) C4'-P energy: -82.795
bonds (distance) P-C4' energy: -79.238
flat angles C4'-P-C4' energy: -69.680
flat angles P-C4'-P energy: -43.329
tors. eta vs tors. theta energy: -16.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -414.327125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.327125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.327125 (E_RNA)
where:
Base-Base interactions energy: -136.759
where: short stacking energy: -106.417
Base-Backbone interact. energy: -1.807
local terms energy: -275.761963
where:
bonds (distance) C4'-P energy: -91.731
bonds (distance) P-C4' energy: -72.029
flat angles C4'-P-C4' energy: -65.599
flat angles P-C4'-P energy: -44.091
tors. eta vs tors. theta energy: -2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -406.132265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.132265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.132265 (E_RNA)
where:
Base-Base interactions energy: -144.403
where: short stacking energy: -141.658
Base-Backbone interact. energy: 4.448
local terms energy: -266.176790
where:
bonds (distance) C4'-P energy: -75.694
bonds (distance) P-C4' energy: -80.296
flat angles C4'-P-C4' energy: -69.310
flat angles P-C4'-P energy: -40.627
tors. eta vs tors. theta energy: -0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -331.272894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.272894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.272894 (E_RNA)
where:
Base-Base interactions energy: -105.777
where: short stacking energy: -79.369
Base-Backbone interact. energy: 7.704
local terms energy: -233.199007
where:
bonds (distance) C4'-P energy: -86.182
bonds (distance) P-C4' energy: -84.859
flat angles C4'-P-C4' energy: -64.540
flat angles P-C4'-P energy: -26.141
tors. eta vs tors. theta energy: 28.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -988.673059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.673059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.673059 (E_RNA)
where:
Base-Base interactions energy: -559.391
where: short stacking energy: -356.080
Base-Backbone interact. energy: -0.480
local terms energy: -428.801826
where:
bonds (distance) C4'-P energy: -84.905
bonds (distance) P-C4' energy: -86.407
flat angles C4'-P-C4' energy: -90.409
flat angles P-C4'-P energy: -64.607
tors. eta vs tors. theta energy: -102.473
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: 4
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -975.407761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.407761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.407761 (E_RNA)
where:
Base-Base interactions energy: -529.283
where: short stacking energy: -332.300
Base-Backbone interact. energy: -0.980
local terms energy: -445.145000
where:
bonds (distance) C4'-P energy: -88.507
bonds (distance) P-C4' energy: -101.383
flat angles C4'-P-C4' energy: -97.993
flat angles P-C4'-P energy: -69.092
tors. eta vs tors. theta energy: -88.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -674.323339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.323339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.323339 (E_RNA)
where:
Base-Base interactions energy: -328.969
where: short stacking energy: -248.566
Base-Backbone interact. energy: -0.583
local terms energy: -344.770479
where:
bonds (distance) C4'-P energy: -66.087
bonds (distance) P-C4' energy: -95.974
flat angles C4'-P-C4' energy: -89.331
flat angles P-C4'-P energy: -51.320
tors. eta vs tors. theta energy: -42.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -666.979180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.979180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.979180 (E_RNA)
where:
Base-Base interactions energy: -314.152
where: short stacking energy: -234.937
Base-Backbone interact. energy: -0.526
local terms energy: -352.300874
where:
bonds (distance) C4'-P energy: -87.241
bonds (distance) P-C4' energy: -87.599
flat angles C4'-P-C4' energy: -83.252
flat angles P-C4'-P energy: -54.173
tors. eta vs tors. theta energy: -40.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -486.072336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.072336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.072336 (E_RNA)
where:
Base-Base interactions energy: -216.747
where: short stacking energy: -140.575
Base-Backbone interact. energy: 2.647
local terms energy: -271.972438
where:
bonds (distance) C4'-P energy: -63.203
bonds (distance) P-C4' energy: -75.201
flat angles C4'-P-C4' energy: -84.392
flat angles P-C4'-P energy: -46.243
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: 7, replica: 1
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -445.896697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.896697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.896697 (E_RNA)
where:
Base-Base interactions energy: -141.249
where: short stacking energy: -129.977
Base-Backbone interact. energy: 5.408
local terms energy: -310.056169
where:
bonds (distance) C4'-P energy: -95.655
bonds (distance) P-C4' energy: -93.107
flat angles C4'-P-C4' energy: -78.941
flat angles P-C4'-P energy: -37.217
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -425.132154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.132154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.132154 (E_RNA)
where:
Base-Base interactions energy: -139.196
where: short stacking energy: -119.358
Base-Backbone interact. energy: -1.263
local terms energy: -284.672506
where:
bonds (distance) C4'-P energy: -88.344
bonds (distance) P-C4' energy: -97.428
flat angles C4'-P-C4' energy: -64.699
flat angles P-C4'-P energy: -34.571
tors. eta vs tors. theta energy: 0.369
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: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -373.989284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.989284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.989284 (E_RNA)
where:
Base-Base interactions energy: -130.318
where: short stacking energy: -116.430
Base-Backbone interact. energy: 2.091
local terms energy: -245.762178
where:
bonds (distance) C4'-P energy: -83.699
bonds (distance) P-C4' energy: -71.301
flat angles C4'-P-C4' energy: -68.834
flat angles P-C4'-P energy: -36.396
tors. eta vs tors. theta energy: 14.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -365.112452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.112452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.112452 (E_RNA)
where:
Base-Base interactions energy: -125.404
where: short stacking energy: -102.122
Base-Backbone interact. energy: 0.239
local terms energy: -239.947102
where:
bonds (distance) C4'-P energy: -69.046
bonds (distance) P-C4' energy: -88.760
flat angles C4'-P-C4' energy: -65.959
flat angles P-C4'-P energy: -23.237
tors. eta vs tors. theta energy: 7.054
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: 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: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -970.449038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.449038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.449038 (E_RNA)
where:
Base-Base interactions energy: -544.054
where: short stacking energy: -355.382
Base-Backbone interact. energy: 1.194
local terms energy: -427.589094
where:
bonds (distance) C4'-P energy: -86.726
bonds (distance) P-C4' energy: -96.705
flat angles C4'-P-C4' energy: -98.223
flat angles P-C4'-P energy: -56.031
tors. eta vs tors. theta energy: -89.905
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: 3, replica: 4
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -927.545642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.545642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.545642 (E_RNA)
where:
Base-Base interactions energy: -502.615
where: short stacking energy: -312.843
Base-Backbone interact. energy: -1.834
local terms energy: -423.096818
where:
bonds (distance) C4'-P energy: -98.231
bonds (distance) P-C4' energy: -98.746
flat angles C4'-P-C4' energy: -87.697
flat angles P-C4'-P energy: -56.900
tors. eta vs tors. theta energy: -81.523
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: 8
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -693.006319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.006319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.006319 (E_RNA)
where:
Base-Base interactions energy: -336.474
where: short stacking energy: -215.710
Base-Backbone interact. energy: -1.475
local terms energy: -355.057386
where:
bonds (distance) C4'-P energy: -84.588
bonds (distance) P-C4' energy: -88.828
flat angles C4'-P-C4' energy: -87.518
flat angles P-C4'-P energy: -58.637
tors. eta vs tors. theta energy: -35.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -666.936158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.936158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.936158 (E_RNA)
where:
Base-Base interactions energy: -318.487
where: short stacking energy: -222.328
Base-Backbone interact. energy: -1.207
local terms energy: -347.242747
where:
bonds (distance) C4'-P energy: -79.180
bonds (distance) P-C4' energy: -83.870
flat angles C4'-P-C4' energy: -84.798
flat angles P-C4'-P energy: -54.333
tors. eta vs tors. theta energy: -45.062
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: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -504.792287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.792287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.792287 (E_RNA)
where:
Base-Base interactions energy: -201.235
where: short stacking energy: -168.294
Base-Backbone interact. energy: 1.372
local terms energy: -304.928671
where:
bonds (distance) C4'-P energy: -83.982
bonds (distance) P-C4' energy: -96.404
flat angles C4'-P-C4' energy: -71.550
flat angles P-C4'-P energy: -35.996
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: 5
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -483.740739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.740739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.740739 (E_RNA)
where:
Base-Base interactions energy: -205.020
where: short stacking energy: -143.491
Base-Backbone interact. energy: 1.542
local terms energy: -280.262632
where:
bonds (distance) C4'-P energy: -68.645
bonds (distance) P-C4' energy: -96.055
flat angles C4'-P-C4' energy: -74.021
flat angles P-C4'-P energy: -31.688
tors. eta vs tors. theta energy: -9.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -410.234655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.234655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.234655 (E_RNA)
where:
Base-Base interactions energy: -159.954
where: short stacking energy: -113.430
Base-Backbone interact. energy: 0.965
local terms energy: -251.245646
where:
bonds (distance) C4'-P energy: -82.541
bonds (distance) P-C4' energy: -75.324
flat angles C4'-P-C4' energy: -65.138
flat angles P-C4'-P energy: -41.481
tors. eta vs tors. theta energy: 13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -378.053731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.053731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.053731 (E_RNA)
where:
Base-Base interactions energy: -141.209
where: short stacking energy: -115.652
Base-Backbone interact. energy: -0.969
local terms energy: -235.875853
where:
bonds (distance) C4'-P energy: -66.691
bonds (distance) P-C4' energy: -76.575
flat angles C4'-P-C4' energy: -61.309
flat angles P-C4'-P energy: -42.937
tors. eta vs tors. theta energy: 11.636
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: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -354.156903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.156903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.156903 (E_RNA)
where:
Base-Base interactions energy: -92.111
where: short stacking energy: -85.938
Base-Backbone interact. energy: -2.677
local terms energy: -259.368940
where:
bonds (distance) C4'-P energy: -68.561
bonds (distance) P-C4' energy: -84.414
flat angles C4'-P-C4' energy: -68.485
flat angles P-C4'-P energy: -52.485
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: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1040.840170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.840170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.840170 (E_RNA)
where:
Base-Base interactions energy: -596.156
where: short stacking energy: -370.793
Base-Backbone interact. energy: -2.684
local terms energy: -442.000247
where:
bonds (distance) C4'-P energy: -96.227
bonds (distance) P-C4' energy: -77.095
flat angles C4'-P-C4' energy: -103.221
flat angles P-C4'-P energy: -63.509
tors. eta vs tors. theta energy: -101.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1028.623871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.623871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.623871 (E_RNA)
where:
Base-Base interactions energy: -583.419
where: short stacking energy: -360.450
Base-Backbone interact. energy: -0.717
local terms energy: -444.487555
where:
bonds (distance) C4'-P energy: -92.541
bonds (distance) P-C4' energy: -99.030
flat angles C4'-P-C4' energy: -96.719
flat angles P-C4'-P energy: -50.845
tors. eta vs tors. theta energy: -105.353
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: 3, replica: 4
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -901.628929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.628929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.628929 (E_RNA)
where:
Base-Base interactions energy: -476.412
where: short stacking energy: -301.825
Base-Backbone interact. energy: -0.912
local terms energy: -424.304568
where:
bonds (distance) C4'-P energy: -84.087
bonds (distance) P-C4' energy: -94.617
flat angles C4'-P-C4' energy: -98.173
flat angles P-C4'-P energy: -58.250
tors. eta vs tors. theta energy: -89.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -701.392836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.392836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.392836 (E_RNA)
where:
Base-Base interactions energy: -361.004
where: short stacking energy: -248.863
Base-Backbone interact. energy: 0.105
local terms energy: -340.493778
where:
bonds (distance) C4'-P energy: -89.189
bonds (distance) P-C4' energy: -86.467
flat angles C4'-P-C4' energy: -86.186
flat angles P-C4'-P energy: -44.515
tors. eta vs tors. theta energy: -34.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -660.351786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.351786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.351786 (E_RNA)
where:
Base-Base interactions energy: -324.858
where: short stacking energy: -214.940
Base-Backbone interact. energy: -0.761
local terms energy: -334.733084
where:
bonds (distance) C4'-P energy: -90.744
bonds (distance) P-C4' energy: -80.509
flat angles C4'-P-C4' energy: -82.778
flat angles P-C4'-P energy: -53.206
tors. eta vs tors. theta energy: -27.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -504.563592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.563592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.563592 (E_RNA)
where:
Base-Base interactions energy: -186.856
where: short stacking energy: -157.738
Base-Backbone interact. energy: -2.304
local terms energy: -315.404420
where:
bonds (distance) C4'-P energy: -87.896
bonds (distance) P-C4' energy: -78.960
flat angles C4'-P-C4' energy: -75.120
flat angles P-C4'-P energy: -56.604
tors. eta vs tors. theta energy: -16.825
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: 7, replica: 5
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -501.906529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.906529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.906529 (E_RNA)
where:
Base-Base interactions energy: -186.028
where: short stacking energy: -149.264
Base-Backbone interact. energy: 0.364
local terms energy: -316.242155
where:
bonds (distance) C4'-P energy: -81.284
bonds (distance) P-C4' energy: -90.276
flat angles C4'-P-C4' energy: -75.756
flat angles P-C4'-P energy: -45.237
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: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -425.575791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.575791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.575791 (E_RNA)
where:
Base-Base interactions energy: -145.421
where: short stacking energy: -139.528
Base-Backbone interact. energy: 0.968
local terms energy: -281.122308
where:
bonds (distance) C4'-P energy: -74.736
bonds (distance) P-C4' energy: -92.553
flat angles C4'-P-C4' energy: -67.625
flat angles P-C4'-P energy: -39.379
tors. eta vs tors. theta energy: -6.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -392.003722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.003722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.003722 (E_RNA)
where:
Base-Base interactions energy: -144.608
where: short stacking energy: -132.214
Base-Backbone interact. energy: -1.336
local terms energy: -246.059989
where:
bonds (distance) C4'-P energy: -71.316
bonds (distance) P-C4' energy: -78.056
flat angles C4'-P-C4' energy: -64.182
flat angles P-C4'-P energy: -35.705
tors. eta vs tors. theta energy: 3.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -418.012294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.012294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.012294 (E_RNA)
where:
Base-Base interactions energy: -188.036
where: short stacking energy: -139.663
Base-Backbone interact. energy: -1.784
local terms energy: -228.192600
where:
bonds (distance) C4'-P energy: -63.475
bonds (distance) P-C4' energy: -73.750
flat angles C4'-P-C4' energy: -61.085
flat angles P-C4'-P energy: -28.986
tors. eta vs tors. theta energy: -0.897
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: 35
Temperature: 0.900000
Total energy: -1053.185039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.185039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.185039 (E_RNA)
where:
Base-Base interactions energy: -607.557
where: short stacking energy: -383.403
Base-Backbone interact. energy: 1.569
local terms energy: -447.197365
where:
bonds (distance) C4'-P energy: -91.502
bonds (distance) P-C4' energy: -102.572
flat angles C4'-P-C4' energy: -100.402
flat angles P-C4'-P energy: -62.221
tors. eta vs tors. theta energy: -90.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -993.531123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.531123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.531123 (E_RNA)
where:
Base-Base interactions energy: -548.243
where: short stacking energy: -333.196
Base-Backbone interact. energy: -1.539
local terms energy: -443.748388
where:
bonds (distance) C4'-P energy: -87.717
bonds (distance) P-C4' energy: -95.875
flat angles C4'-P-C4' energy: -103.872
flat angles P-C4'-P energy: -66.549
tors. eta vs tors. theta energy: -89.735
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: 35
Temperature: 1.000000
Total energy: -906.438993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.438993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.438993 (E_RNA)
where:
Base-Base interactions energy: -480.893
where: short stacking energy: -340.417
Base-Backbone interact. energy: -1.561
local terms energy: -423.985379
where:
bonds (distance) C4'-P energy: -83.724
bonds (distance) P-C4' energy: -98.289
flat angles C4'-P-C4' energy: -100.854
flat angles P-C4'-P energy: -55.533
tors. eta vs tors. theta energy: -85.585
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: 7
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -742.706886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.706886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.706886 (E_RNA)
where:
Base-Base interactions energy: -360.685
where: short stacking energy: -247.698
Base-Backbone interact. energy: -0.872
local terms energy: -381.149589
where:
bonds (distance) C4'-P energy: -70.514
bonds (distance) P-C4' energy: -94.862
flat angles C4'-P-C4' energy: -89.132
flat angles P-C4'-P energy: -67.310
tors. eta vs tors. theta energy: -59.331
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: 8
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -641.573370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.573370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.573370 (E_RNA)
where:
Base-Base interactions energy: -315.076
where: short stacking energy: -220.116
Base-Backbone interact. energy: 0.340
local terms energy: -326.837238
where:
bonds (distance) C4'-P energy: -75.920
bonds (distance) P-C4' energy: -82.825
flat angles C4'-P-C4' energy: -80.583
flat angles P-C4'-P energy: -43.021
tors. eta vs tors. theta energy: -44.488
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: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -528.241960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.241960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.241960 (E_RNA)
where:
Base-Base interactions energy: -206.625
where: short stacking energy: -143.994
Base-Backbone interact. energy: -0.306
local terms energy: -321.310919
where:
bonds (distance) C4'-P energy: -78.465
bonds (distance) P-C4' energy: -89.402
flat angles C4'-P-C4' energy: -81.254
flat angles P-C4'-P energy: -59.063
tors. eta vs tors. theta energy: -13.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -457.786947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.786947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.786947 (E_RNA)
where:
Base-Base interactions energy: -163.942
where: short stacking energy: -126.097
Base-Backbone interact. energy: 1.332
local terms energy: -295.176948
where:
bonds (distance) C4'-P energy: -90.245
bonds (distance) P-C4' energy: -71.960
flat angles C4'-P-C4' energy: -83.702
flat angles P-C4'-P energy: -46.408
tors. eta vs tors. theta energy: -2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -406.840580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.840580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.840580 (E_RNA)
where:
Base-Base interactions energy: -137.644
where: short stacking energy: -125.473
Base-Backbone interact. energy: -0.859
local terms energy: -268.337773
where:
bonds (distance) C4'-P energy: -81.777
bonds (distance) P-C4' energy: -86.571
flat angles C4'-P-C4' energy: -64.493
flat angles P-C4'-P energy: -42.169
tors. eta vs tors. theta energy: 6.671
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: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -382.763266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.763266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.763266 (E_RNA)
where:
Base-Base interactions energy: -141.771
where: short stacking energy: -112.208
Base-Backbone interact. energy: -0.612
local terms energy: -240.380771
where:
bonds (distance) C4'-P energy: -88.395
bonds (distance) P-C4' energy: -89.032
flat angles C4'-P-C4' energy: -60.789
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: 14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -356.098104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.098104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.098104 (E_RNA)
where:
Base-Base interactions energy: -113.075
where: short stacking energy: -97.110
Base-Backbone interact. energy: -1.512
local terms energy: -241.511730
where:
bonds (distance) C4'-P energy: -61.622
bonds (distance) P-C4' energy: -89.960
flat angles C4'-P-C4' energy: -62.698
flat angles P-C4'-P energy: -35.767
tors. eta vs tors. theta energy: 8.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1045.819186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.819186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.819186 (E_RNA)
where:
Base-Base interactions energy: -602.403
where: short stacking energy: -348.451
Base-Backbone interact. energy: -2.200
local terms energy: -441.216575
where:
bonds (distance) C4'-P energy: -81.854
bonds (distance) P-C4' energy: -89.489
flat angles C4'-P-C4' energy: -102.362
flat angles P-C4'-P energy: -72.682
tors. eta vs tors. theta energy: -94.829
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: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -989.804783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.804783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.804783 (E_RNA)
where:
Base-Base interactions energy: -562.747
where: short stacking energy: -359.373
Base-Backbone interact. energy: -1.100
local terms energy: -425.958062
where:
bonds (distance) C4'-P energy: -86.517
bonds (distance) P-C4' energy: -86.363
flat angles C4'-P-C4' energy: -95.043
flat angles P-C4'-P energy: -67.514
tors. eta vs tors. theta energy: -90.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -910.891763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.891763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.891763 (E_RNA)
where:
Base-Base interactions energy: -497.725
where: short stacking energy: -323.813
Base-Backbone interact. energy: -0.166
local terms energy: -413.000663
where:
bonds (distance) C4'-P energy: -81.196
bonds (distance) P-C4' energy: -92.428
flat angles C4'-P-C4' energy: -98.191
flat angles P-C4'-P energy: -47.597
tors. eta vs tors. theta energy: -93.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -728.253282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.253282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.253282 (E_RNA)
where:
Base-Base interactions energy: -354.251
where: short stacking energy: -251.388
Base-Backbone interact. energy: -1.651
local terms energy: -372.351391
where:
bonds (distance) C4'-P energy: -87.103
bonds (distance) P-C4' energy: -86.145
flat angles C4'-P-C4' energy: -81.685
flat angles P-C4'-P energy: -63.398
tors. eta vs tors. theta energy: -54.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -675.238952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.238952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.238952 (E_RNA)
where:
Base-Base interactions energy: -305.419
where: short stacking energy: -228.820
Base-Backbone interact. energy: -2.165
local terms energy: -367.654743
where:
bonds (distance) C4'-P energy: -83.494
bonds (distance) P-C4' energy: -97.860
flat angles C4'-P-C4' energy: -83.057
flat angles P-C4'-P energy: -47.827
tors. eta vs tors. theta energy: -55.417
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: 36
Temperature: 1.150000
Total energy: -561.045485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.045485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.045485 (E_RNA)
where:
Base-Base interactions energy: -235.064
where: short stacking energy: -189.214
Base-Backbone interact. energy: -0.856
local terms energy: -325.126281
where:
bonds (distance) C4'-P energy: -66.771
bonds (distance) P-C4' energy: -87.750
flat angles C4'-P-C4' energy: -76.878
flat angles P-C4'-P energy: -51.253
tors. eta vs tors. theta energy: -42.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -486.904598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.904598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.904598 (E_RNA)
where:
Base-Base interactions energy: -207.117
where: short stacking energy: -139.672
Base-Backbone interact. energy: -1.117
local terms energy: -278.670639
where:
bonds (distance) C4'-P energy: -81.059
bonds (distance) P-C4' energy: -77.209
flat angles C4'-P-C4' energy: -72.963
flat angles P-C4'-P energy: -39.715
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: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -443.420603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.420603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.420603 (E_RNA)
where:
Base-Base interactions energy: -156.196
where: short stacking energy: -150.650
Base-Backbone interact. energy: -2.929
local terms energy: -284.295763
where:
bonds (distance) C4'-P energy: -73.502
bonds (distance) P-C4' energy: -76.934
flat angles C4'-P-C4' energy: -62.789
flat angles P-C4'-P energy: -58.525
tors. eta vs tors. theta energy: -12.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -407.932329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.932329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.932329 (E_RNA)
where:
Base-Base interactions energy: -148.043
where: short stacking energy: -111.246
Base-Backbone interact. energy: 2.603
local terms energy: -262.492389
where:
bonds (distance) C4'-P energy: -79.541
bonds (distance) P-C4' energy: -82.459
flat angles C4'-P-C4' energy: -59.035
flat angles P-C4'-P energy: -41.866
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: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -342.302330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.302330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.302330 (E_RNA)
where:
Base-Base interactions energy: -118.579
where: short stacking energy: -115.951
Base-Backbone interact. energy: -2.713
local terms energy: -221.011073
where:
bonds (distance) C4'-P energy: -54.025
bonds (distance) P-C4' energy: -70.560
flat angles C4'-P-C4' energy: -60.827
flat angles P-C4'-P energy: -38.259
tors. eta vs tors. theta energy: 2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1027.558847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.558847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.558847 (E_RNA)
where:
Base-Base interactions energy: -577.440
where: short stacking energy: -343.015
Base-Backbone interact. energy: -1.584
local terms energy: -448.534359
where:
bonds (distance) C4'-P energy: -98.916
bonds (distance) P-C4' energy: -93.408
flat angles C4'-P-C4' energy: -93.377
flat angles P-C4'-P energy: -63.141
tors. eta vs tors. theta energy: -99.692
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: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -992.452324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.452324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.452324 (E_RNA)
where:
Base-Base interactions energy: -557.750
where: short stacking energy: -349.080
Base-Backbone interact. energy: -0.171
local terms energy: -434.531110
where:
bonds (distance) C4'-P energy: -88.305
bonds (distance) P-C4' energy: -88.424
flat angles C4'-P-C4' energy: -94.556
flat angles P-C4'-P energy: -67.569
tors. eta vs tors. theta energy: -95.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -975.013968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.013968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.013968 (E_RNA)
where:
Base-Base interactions energy: -547.978
where: short stacking energy: -311.293
Base-Backbone interact. energy: 2.102
local terms energy: -429.138021
where:
bonds (distance) C4'-P energy: -94.419
bonds (distance) P-C4' energy: -89.333
flat angles C4'-P-C4' energy: -105.579
flat angles P-C4'-P energy: -61.413
tors. eta vs tors. theta energy: -78.395
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: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -737.014941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.014941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.014941 (E_RNA)
where:
Base-Base interactions energy: -356.875
where: short stacking energy: -247.676
Base-Backbone interact. energy: -1.887
local terms energy: -378.253111
where:
bonds (distance) C4'-P energy: -82.246
bonds (distance) P-C4' energy: -88.196
flat angles C4'-P-C4' energy: -95.925
flat angles P-C4'-P energy: -56.465
tors. eta vs tors. theta energy: -55.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -658.950308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.950308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.950308 (E_RNA)
where:
Base-Base interactions energy: -325.521
where: short stacking energy: -210.053
Base-Backbone interact. energy: -2.345
local terms energy: -331.084240
where:
bonds (distance) C4'-P energy: -74.755
bonds (distance) P-C4' energy: -93.086
flat angles C4'-P-C4' energy: -80.860
flat angles P-C4'-P energy: -59.035
tors. eta vs tors. theta energy: -23.348
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: 1
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -582.337117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.337117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.337117 (E_RNA)
where:
Base-Base interactions energy: -244.632
where: short stacking energy: -200.307
Base-Backbone interact. energy: -3.020
local terms energy: -334.685143
where:
bonds (distance) C4'-P energy: -82.887
bonds (distance) P-C4' energy: -91.086
flat angles C4'-P-C4' energy: -79.165
flat angles P-C4'-P energy: -51.439
tors. eta vs tors. theta energy: -30.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -483.855283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.855283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.855283 (E_RNA)
where:
Base-Base interactions energy: -170.647
where: short stacking energy: -124.701
Base-Backbone interact. energy: 0.351
local terms energy: -313.558626
where:
bonds (distance) C4'-P energy: -75.437
bonds (distance) P-C4' energy: -87.187
flat angles C4'-P-C4' energy: -90.933
flat angles P-C4'-P energy: -54.439
tors. eta vs tors. theta energy: -5.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -395.528566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.528566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.528566 (E_RNA)
where:
Base-Base interactions energy: -146.089
where: short stacking energy: -116.732
Base-Backbone interact. energy: 2.832
local terms energy: -252.271827
where:
bonds (distance) C4'-P energy: -72.261
bonds (distance) P-C4' energy: -87.504
flat angles C4'-P-C4' energy: -79.123
flat angles P-C4'-P energy: -28.946
tors. eta vs tors. theta energy: 15.562
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: 37
Temperature: 1.300000
Total energy: -386.098246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.098246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.098246 (E_RNA)
where:
Base-Base interactions energy: -124.600
where: short stacking energy: -105.570
Base-Backbone interact. energy: -1.896
local terms energy: -259.602126
where:
bonds (distance) C4'-P energy: -80.060
bonds (distance) P-C4' energy: -81.540
flat angles C4'-P-C4' energy: -60.815
flat angles P-C4'-P energy: -47.315
tors. eta vs tors. theta energy: 10.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -381.909229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.909229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.909229 (E_RNA)
where:
Base-Base interactions energy: -124.994
where: short stacking energy: -102.226
Base-Backbone interact. energy: 6.203
local terms energy: -263.118842
where:
bonds (distance) C4'-P energy: -83.257
bonds (distance) P-C4' energy: -86.520
flat angles C4'-P-C4' energy: -70.596
flat angles P-C4'-P energy: -37.631
tors. eta vs tors. theta energy: 14.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1060.973615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.973615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.973615 (E_RNA)
where:
Base-Base interactions energy: -618.179
where: short stacking energy: -368.788
Base-Backbone interact. energy: -2.485
local terms energy: -440.309325
where:
bonds (distance) C4'-P energy: -85.225
bonds (distance) P-C4' energy: -97.026
flat angles C4'-P-C4' energy: -105.343
flat angles P-C4'-P energy: -65.051
tors. eta vs tors. theta energy: -87.664
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: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1003.688082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.688082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.688082 (E_RNA)
where:
Base-Base interactions energy: -556.958
where: short stacking energy: -333.015
Base-Backbone interact. energy: -0.874
local terms energy: -445.856653
where:
bonds (distance) C4'-P energy: -92.697
bonds (distance) P-C4' energy: -93.400
flat angles C4'-P-C4' energy: -100.558
flat angles P-C4'-P energy: -68.681
tors. eta vs tors. theta energy: -90.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -925.173315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.173315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.173315 (E_RNA)
where:
Base-Base interactions energy: -507.973
where: short stacking energy: -339.639
Base-Backbone interact. energy: 0.194
local terms energy: -417.394244
where:
bonds (distance) C4'-P energy: -76.787
bonds (distance) P-C4' energy: -83.988
flat angles C4'-P-C4' energy: -98.775
flat angles P-C4'-P energy: -72.471
tors. eta vs tors. theta energy: -85.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -744.329626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.329626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.329626 (E_RNA)
where:
Base-Base interactions energy: -374.285
where: short stacking energy: -262.273
Base-Backbone interact. energy: -2.023
local terms energy: -368.022457
where:
bonds (distance) C4'-P energy: -88.327
bonds (distance) P-C4' energy: -78.215
flat angles C4'-P-C4' energy: -82.143
flat angles P-C4'-P energy: -61.677
tors. eta vs tors. theta energy: -57.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -641.750419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.750419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.750419 (E_RNA)
where:
Base-Base interactions energy: -318.550
where: short stacking energy: -226.417
Base-Backbone interact. energy: 1.365
local terms energy: -324.564896
where:
bonds (distance) C4'-P energy: -79.006
bonds (distance) P-C4' energy: -61.531
flat angles C4'-P-C4' energy: -85.697
flat angles P-C4'-P energy: -53.605
tors. eta vs tors. theta energy: -44.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -519.087102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.087102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.087102 (E_RNA)
where:
Base-Base interactions energy: -215.237
where: short stacking energy: -168.494
Base-Backbone interact. energy: -0.572
local terms energy: -303.278515
where:
bonds (distance) C4'-P energy: -100.257
bonds (distance) P-C4' energy: -84.991
flat angles C4'-P-C4' energy: -64.361
flat angles P-C4'-P energy: -40.754
tors. eta vs tors. theta energy: -12.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -482.282065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.282065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.282065 (E_RNA)
where:
Base-Base interactions energy: -190.293
where: short stacking energy: -156.578
Base-Backbone interact. energy: 3.431
local terms energy: -295.420444
where:
bonds (distance) C4'-P energy: -71.092
bonds (distance) P-C4' energy: -91.185
flat angles C4'-P-C4' energy: -75.009
flat angles P-C4'-P energy: -42.787
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: 8, replica: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -447.417690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.417690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.417690 (E_RNA)
where:
Base-Base interactions energy: -175.058
where: short stacking energy: -136.406
Base-Backbone interact. energy: 2.044
local terms energy: -274.404061
where:
bonds (distance) C4'-P energy: -72.369
bonds (distance) P-C4' energy: -92.434
flat angles C4'-P-C4' energy: -56.371
flat angles P-C4'-P energy: -44.224
tors. eta vs tors. theta energy: -9.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -417.841012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.841012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.841012 (E_RNA)
where:
Base-Base interactions energy: -153.999
where: short stacking energy: -112.438
Base-Backbone interact. energy: 1.189
local terms energy: -265.031250
where:
bonds (distance) C4'-P energy: -77.346
bonds (distance) P-C4' energy: -79.979
flat angles C4'-P-C4' energy: -75.252
flat angles P-C4'-P energy: -36.772
tors. eta vs tors. theta energy: 4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -352.456003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.456003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.456003 (E_RNA)
where:
Base-Base interactions energy: -124.542
where: short stacking energy: -102.970
Base-Backbone interact. energy: 1.004
local terms energy: -228.917639
where:
bonds (distance) C4'-P energy: -63.872
bonds (distance) P-C4' energy: -78.020
flat angles C4'-P-C4' energy: -71.528
flat angles P-C4'-P energy: -39.179
tors. eta vs tors. theta energy: 23.682
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: 1, replica: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1062.435830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.435830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.435830 (E_RNA)
where:
Base-Base interactions energy: -608.794
where: short stacking energy: -369.372
Base-Backbone interact. energy: -1.112
local terms energy: -452.529709
where:
bonds (distance) C4'-P energy: -92.969
bonds (distance) P-C4' energy: -104.659
flat angles C4'-P-C4' energy: -98.699
flat angles P-C4'-P energy: -61.505
tors. eta vs tors. theta energy: -94.698
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: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1004.415507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.415507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.415507 (E_RNA)
where:
Base-Base interactions energy: -567.132
where: short stacking energy: -352.693
Base-Backbone interact. energy: 0.719
local terms energy: -438.002768
where:
bonds (distance) C4'-P energy: -96.044
bonds (distance) P-C4' energy: -101.053
flat angles C4'-P-C4' energy: -92.399
flat angles P-C4'-P energy: -61.179
tors. eta vs tors. theta energy: -87.328
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: 3, replica: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -886.874750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.874750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.874750 (E_RNA)
where:
Base-Base interactions energy: -482.896
where: short stacking energy: -307.264
Base-Backbone interact. energy: -1.337
local terms energy: -402.641396
where:
bonds (distance) C4'-P energy: -79.369
bonds (distance) P-C4' energy: -92.653
flat angles C4'-P-C4' energy: -91.735
flat angles P-C4'-P energy: -62.829
tors. eta vs tors. theta energy: -76.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -732.608853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.608853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.608853 (E_RNA)
where:
Base-Base interactions energy: -350.230
where: short stacking energy: -260.513
Base-Backbone interact. energy: 2.366
local terms energy: -384.744751
where:
bonds (distance) C4'-P energy: -81.084
bonds (distance) P-C4' energy: -93.717
flat angles C4'-P-C4' energy: -84.015
flat angles P-C4'-P energy: -65.130
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: 8
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -602.388980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.388980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.388980 (E_RNA)
where:
Base-Base interactions energy: -283.339
where: short stacking energy: -181.967
Base-Backbone interact. energy: -4.622
local terms energy: -314.428425
where:
bonds (distance) C4'-P energy: -88.214
bonds (distance) P-C4' energy: -72.979
flat angles C4'-P-C4' energy: -78.061
flat angles P-C4'-P energy: -52.572
tors. eta vs tors. theta energy: -22.603
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: 1
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -527.224230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.224230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.224230 (E_RNA)
where:
Base-Base interactions energy: -209.517
where: short stacking energy: -167.585
Base-Backbone interact. energy: -2.171
local terms energy: -315.536438
where:
bonds (distance) C4'-P energy: -79.428
bonds (distance) P-C4' energy: -93.216
flat angles C4'-P-C4' energy: -76.200
flat angles P-C4'-P energy: -44.090
tors. eta vs tors. theta energy: -22.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -459.365570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.365570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.365570 (E_RNA)
where:
Base-Base interactions energy: -170.895
where: short stacking energy: -146.530
Base-Backbone interact. energy: 1.259
local terms energy: -289.728890
where:
bonds (distance) C4'-P energy: -88.710
bonds (distance) P-C4' energy: -90.276
flat angles C4'-P-C4' energy: -67.321
flat angles P-C4'-P energy: -36.890
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: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -472.806456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.806456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.806456 (E_RNA)
where:
Base-Base interactions energy: -192.107
where: short stacking energy: -130.581
Base-Backbone interact. energy: -0.153
local terms energy: -280.546446
where:
bonds (distance) C4'-P energy: -75.961
bonds (distance) P-C4' energy: -84.748
flat angles C4'-P-C4' energy: -73.571
flat angles P-C4'-P energy: -36.559
tors. eta vs tors. theta energy: -9.707
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: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -418.603743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.603743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.603743 (E_RNA)
where:
Base-Base interactions energy: -133.391
where: short stacking energy: -117.498
Base-Backbone interact. energy: 0.269
local terms energy: -285.481357
where:
bonds (distance) C4'-P energy: -75.162
bonds (distance) P-C4' energy: -85.004
flat angles C4'-P-C4' energy: -62.939
flat angles P-C4'-P energy: -53.147
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: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -346.419625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.419625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.419625 (E_RNA)
where:
Base-Base interactions energy: -116.014
where: short stacking energy: -104.525
Base-Backbone interact. energy: 0.036
local terms energy: -230.441109
where:
bonds (distance) C4'-P energy: -60.004
bonds (distance) P-C4' energy: -71.204
flat angles C4'-P-C4' energy: -74.073
flat angles P-C4'-P energy: -36.157
tors. eta vs tors. theta energy: 10.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1070.330809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.330809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.330809 (E_RNA)
where:
Base-Base interactions energy: -607.888
where: short stacking energy: -383.029
Base-Backbone interact. energy: -0.103
local terms energy: -462.340260
where:
bonds (distance) C4'-P energy: -89.937
bonds (distance) P-C4' energy: -97.842
flat angles C4'-P-C4' energy: -100.052
flat angles P-C4'-P energy: -74.988
tors. eta vs tors. theta energy: -99.521
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: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1072.594576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.594576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.594576 (E_RNA)
where:
Base-Base interactions energy: -616.437
where: short stacking energy: -361.874
Base-Backbone interact. energy: 2.983
local terms energy: -459.140574
where:
bonds (distance) C4'-P energy: -93.961
bonds (distance) P-C4' energy: -99.678
flat angles C4'-P-C4' energy: -106.545
flat angles P-C4'-P energy: -65.083
tors. eta vs tors. theta energy: -93.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -937.071108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.071108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.071108 (E_RNA)
where:
Base-Base interactions energy: -519.152
where: short stacking energy: -345.883
Base-Backbone interact. energy: -1.338
local terms energy: -416.580928
where:
bonds (distance) C4'-P energy: -83.335
bonds (distance) P-C4' energy: -88.032
flat angles C4'-P-C4' energy: -91.066
flat angles P-C4'-P energy: -56.548
tors. eta vs tors. theta energy: -97.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -728.892794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.892794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.892794 (E_RNA)
where:
Base-Base interactions energy: -352.689
where: short stacking energy: -230.117
Base-Backbone interact. energy: 0.074
local terms energy: -376.278191
where:
bonds (distance) C4'-P energy: -84.864
bonds (distance) P-C4' energy: -85.798
flat angles C4'-P-C4' energy: -97.113
flat angles P-C4'-P energy: -60.114
tors. eta vs tors. theta energy: -48.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -656.292692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.292692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.292692 (E_RNA)
where:
Base-Base interactions energy: -309.900
where: short stacking energy: -231.883
Base-Backbone interact. energy: 1.518
local terms energy: -347.910676
where:
bonds (distance) C4'-P energy: -73.689
bonds (distance) P-C4' energy: -88.152
flat angles C4'-P-C4' energy: -83.074
flat angles P-C4'-P energy: -56.772
tors. eta vs tors. theta energy: -46.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -549.222239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.222239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.222239 (E_RNA)
where:
Base-Base interactions energy: -253.053
where: short stacking energy: -189.939
Base-Backbone interact. energy: -0.558
local terms energy: -295.610349
where:
bonds (distance) C4'-P energy: -81.766
bonds (distance) P-C4' energy: -83.476
flat angles C4'-P-C4' energy: -58.598
flat angles P-C4'-P energy: -54.781
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -459.573528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.573528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.573528 (E_RNA)
where:
Base-Base interactions energy: -155.362
where: short stacking energy: -147.002
Base-Backbone interact. energy: 0.793
local terms energy: -305.004845
where:
bonds (distance) C4'-P energy: -81.503
bonds (distance) P-C4' energy: -77.758
flat angles C4'-P-C4' energy: -84.485
flat angles P-C4'-P energy: -50.228
tors. eta vs tors. theta energy: -11.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -424.232292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.232292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.232292 (E_RNA)
where:
Base-Base interactions energy: -130.084
where: short stacking energy: -116.055
Base-Backbone interact. energy: -1.224
local terms energy: -292.924599
where:
bonds (distance) C4'-P energy: -92.275
bonds (distance) P-C4' energy: -85.566
flat angles C4'-P-C4' energy: -73.074
flat angles P-C4'-P energy: -33.112
tors. eta vs tors. theta energy: -8.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -390.986778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.986778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.986778 (E_RNA)
where:
Base-Base interactions energy: -125.832
where: short stacking energy: -111.305
Base-Backbone interact. energy: 2.061
local terms energy: -267.216424
where:
bonds (distance) C4'-P energy: -77.336
bonds (distance) P-C4' energy: -82.967
flat angles C4'-P-C4' energy: -81.827
flat angles P-C4'-P energy: -29.235
tors. eta vs tors. theta energy: 4.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -384.556218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.556218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.556218 (E_RNA)
where:
Base-Base interactions energy: -115.724
where: short stacking energy: -110.288
Base-Backbone interact. energy: 2.996
local terms energy: -271.828435
where:
bonds (distance) C4'-P energy: -69.807
bonds (distance) P-C4' energy: -82.926
flat angles C4'-P-C4' energy: -79.619
flat angles P-C4'-P energy: -46.023
tors. eta vs tors. theta energy: 6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1061.088582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.088582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.088582 (E_RNA)
where:
Base-Base interactions energy: -595.914
where: short stacking energy: -375.377
Base-Backbone interact. energy: 0.526
local terms energy: -465.700867
where:
bonds (distance) C4'-P energy: -99.575
bonds (distance) P-C4' energy: -89.837
flat angles C4'-P-C4' energy: -105.009
flat angles P-C4'-P energy: -59.028
tors. eta vs tors. theta energy: -112.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1010.387000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.387000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.387000 (E_RNA)
where:
Base-Base interactions energy: -564.692
where: short stacking energy: -335.246
Base-Backbone interact. energy: 0.856
local terms energy: -446.550642
where:
bonds (distance) C4'-P energy: -91.501
bonds (distance) P-C4' energy: -92.985
flat angles C4'-P-C4' energy: -106.902
flat angles P-C4'-P energy: -64.747
tors. eta vs tors. theta energy: -90.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -929.370794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.370794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.370794 (E_RNA)
where:
Base-Base interactions energy: -519.538
where: short stacking energy: -330.015
Base-Backbone interact. energy: -1.542
local terms energy: -408.290991
where:
bonds (distance) C4'-P energy: -78.257
bonds (distance) P-C4' energy: -75.805
flat angles C4'-P-C4' energy: -98.590
flat angles P-C4'-P energy: -72.380
tors. eta vs tors. theta energy: -83.259
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: 4, replica: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -768.392103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.392103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.392103 (E_RNA)
where:
Base-Base interactions energy: -377.436
where: short stacking energy: -244.252
Base-Backbone interact. energy: -0.802
local terms energy: -390.154431
where:
bonds (distance) C4'-P energy: -88.157
bonds (distance) P-C4' energy: -81.692
flat angles C4'-P-C4' energy: -91.598
flat angles P-C4'-P energy: -64.162
tors. eta vs tors. theta energy: -64.545
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: 8
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -633.030173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.030173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.030173 (E_RNA)
where:
Base-Base interactions energy: -296.452
where: short stacking energy: -221.533
Base-Backbone interact. energy: 0.106
local terms energy: -336.684691
where:
bonds (distance) C4'-P energy: -67.234
bonds (distance) P-C4' energy: -95.172
flat angles C4'-P-C4' energy: -91.707
flat angles P-C4'-P energy: -36.818
tors. eta vs tors. theta energy: -45.754
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: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -530.884275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.884275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.884275 (E_RNA)
where:
Base-Base interactions energy: -221.921
where: short stacking energy: -159.144
Base-Backbone interact. energy: 3.819
local terms energy: -312.782459
where:
bonds (distance) C4'-P energy: -66.773
bonds (distance) P-C4' energy: -87.399
flat angles C4'-P-C4' energy: -92.192
flat angles P-C4'-P energy: -62.626
tors. eta vs tors. theta energy: -3.793
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: -443.453194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.453194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.453194 (E_RNA)
where:
Base-Base interactions energy: -156.628
where: short stacking energy: -148.821
Base-Backbone interact. energy: 0.433
local terms energy: -287.257804
where:
bonds (distance) C4'-P energy: -77.743
bonds (distance) P-C4' energy: -88.621
flat angles C4'-P-C4' energy: -78.759
flat angles P-C4'-P energy: -37.177
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -453.510638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.510638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.510638 (E_RNA)
where:
Base-Base interactions energy: -174.189
where: short stacking energy: -144.466
Base-Backbone interact. energy: 2.417
local terms energy: -281.738601
where:
bonds (distance) C4'-P energy: -76.508
bonds (distance) P-C4' energy: -79.430
flat angles C4'-P-C4' energy: -70.675
flat angles P-C4'-P energy: -49.278
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -385.472871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.472871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.472871 (E_RNA)
where:
Base-Base interactions energy: -132.427
where: short stacking energy: -117.783
Base-Backbone interact. energy: -2.772
local terms energy: -250.273557
where:
bonds (distance) C4'-P energy: -80.410
bonds (distance) P-C4' energy: -64.410
flat angles C4'-P-C4' energy: -78.086
flat angles P-C4'-P energy: -30.963
tors. eta vs tors. theta energy: 3.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -357.362610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.362610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.362610 (E_RNA)
where:
Base-Base interactions energy: -106.934
where: short stacking energy: -99.634
Base-Backbone interact. energy: -0.338
local terms energy: -250.090455
where:
bonds (distance) C4'-P energy: -81.076
bonds (distance) P-C4' energy: -79.161
flat angles C4'-P-C4' energy: -73.683
flat angles P-C4'-P energy: -39.239
tors. eta vs tors. theta energy: 23.068
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: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1035.447212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.447212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.447212 (E_RNA)
where:
Base-Base interactions energy: -580.378
where: short stacking energy: -353.771
Base-Backbone interact. energy: -1.818
local terms energy: -453.250735
where:
bonds (distance) C4'-P energy: -92.575
bonds (distance) P-C4' energy: -95.711
flat angles C4'-P-C4' energy: -101.937
flat angles P-C4'-P energy: -60.311
tors. eta vs tors. theta energy: -102.717
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: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1027.527788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.527788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.527788 (E_RNA)
where:
Base-Base interactions energy: -592.541
where: short stacking energy: -356.869
Base-Backbone interact. energy: -2.741
local terms energy: -432.245950
where:
bonds (distance) C4'-P energy: -79.198
bonds (distance) P-C4' energy: -91.131
flat angles C4'-P-C4' energy: -96.920
flat angles P-C4'-P energy: -67.550
tors. eta vs tors. theta energy: -97.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -984.689618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.689618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.689618 (E_RNA)
where:
Base-Base interactions energy: -554.602
where: short stacking energy: -314.377
Base-Backbone interact. energy: -3.187
local terms energy: -426.900005
where:
bonds (distance) C4'-P energy: -92.298
bonds (distance) P-C4' energy: -99.312
flat angles C4'-P-C4' energy: -89.675
flat angles P-C4'-P energy: -60.608
tors. eta vs tors. theta energy: -85.006
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: 42
Temperature: 1.050000
Total energy: -750.082726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.082726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.082726 (E_RNA)
where:
Base-Base interactions energy: -381.517
where: short stacking energy: -260.841
Base-Backbone interact. energy: -2.714
local terms energy: -365.851618
where:
bonds (distance) C4'-P energy: -84.096
bonds (distance) P-C4' energy: -93.561
flat angles C4'-P-C4' energy: -76.573
flat angles P-C4'-P energy: -63.828
tors. eta vs tors. theta energy: -47.793
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: 8
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -600.557944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.557944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.557944 (E_RNA)
where:
Base-Base interactions energy: -266.182
where: short stacking energy: -193.266
Base-Backbone interact. energy: -1.467
local terms energy: -332.908109
where:
bonds (distance) C4'-P energy: -93.566
bonds (distance) P-C4' energy: -89.913
flat angles C4'-P-C4' energy: -83.529
flat angles P-C4'-P energy: -34.492
tors. eta vs tors. theta energy: -31.409
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: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -522.599905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.599905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.599905 (E_RNA)
where:
Base-Base interactions energy: -211.134
where: short stacking energy: -163.496
Base-Backbone interact. energy: 0.323
local terms energy: -311.788883
where:
bonds (distance) C4'-P energy: -83.325
bonds (distance) P-C4' energy: -88.632
flat angles C4'-P-C4' energy: -83.689
flat angles P-C4'-P energy: -41.727
tors. eta vs tors. theta energy: -14.415
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: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -445.106065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.106065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.106065 (E_RNA)
where:
Base-Base interactions energy: -151.516
where: short stacking energy: -133.047
Base-Backbone interact. energy: -3.105
local terms energy: -290.485490
where:
bonds (distance) C4'-P energy: -85.689
bonds (distance) P-C4' energy: -91.516
flat angles C4'-P-C4' energy: -67.735
flat angles P-C4'-P energy: -53.432
tors. eta vs tors. theta energy: 7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -425.587455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.587455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.587455 (E_RNA)
where:
Base-Base interactions energy: -162.728
where: short stacking energy: -97.396
Base-Backbone interact. energy: -0.882
local terms energy: -261.977529
where:
bonds (distance) C4'-P energy: -74.934
bonds (distance) P-C4' energy: -83.722
flat angles C4'-P-C4' energy: -75.088
flat angles P-C4'-P energy: -36.239
tors. eta vs tors. theta energy: 8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -381.640778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.640778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.640778 (E_RNA)
where:
Base-Base interactions energy: -132.558
where: short stacking energy: -127.009
Base-Backbone interact. energy: 0.707
local terms energy: -249.789697
where:
bonds (distance) C4'-P energy: -85.513
bonds (distance) P-C4' energy: -70.457
flat angles C4'-P-C4' energy: -64.105
flat angles P-C4'-P energy: -36.669
tors. eta vs tors. theta energy: 6.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -377.333900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.333900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.333900 (E_RNA)
where:
Base-Base interactions energy: -133.609
where: short stacking energy: -104.902
Base-Backbone interact. energy: -0.616
local terms energy: -243.108639
where:
bonds (distance) C4'-P energy: -76.788
bonds (distance) P-C4' energy: -81.623
flat angles C4'-P-C4' energy: -63.293
flat angles P-C4'-P energy: -37.436
tors. eta vs tors. theta energy: 16.031
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: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1050.283864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.283864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.283864 (E_RNA)
where:
Base-Base interactions energy: -606.138
where: short stacking energy: -396.567
Base-Backbone interact. energy: 0.434
local terms energy: -444.580080
where:
bonds (distance) C4'-P energy: -84.770
bonds (distance) P-C4' energy: -84.856
flat angles C4'-P-C4' energy: -99.997
flat angles P-C4'-P energy: -60.161
tors. eta vs tors. theta energy: -114.795
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: 43
Temperature: 0.950000
Total energy: -999.939770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.939770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.939770 (E_RNA)
where:
Base-Base interactions energy: -564.340
where: short stacking energy: -334.168
Base-Backbone interact. energy: -3.841
local terms energy: -431.758431
where:
bonds (distance) C4'-P energy: -87.287
bonds (distance) P-C4' energy: -95.569
flat angles C4'-P-C4' energy: -99.726
flat angles P-C4'-P energy: -72.104
tors. eta vs tors. theta energy: -77.072
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: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -925.229124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.229124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.229124 (E_RNA)
where:
Base-Base interactions energy: -517.538
where: short stacking energy: -310.431
Base-Backbone interact. energy: -0.512
local terms energy: -407.179250
where:
bonds (distance) C4'-P energy: -87.155
bonds (distance) P-C4' energy: -84.308
flat angles C4'-P-C4' energy: -93.506
flat angles P-C4'-P energy: -62.029
tors. eta vs tors. theta energy: -80.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -763.208980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.208980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.208980 (E_RNA)
where:
Base-Base interactions energy: -369.851
where: short stacking energy: -273.543
Base-Backbone interact. energy: -2.976
local terms energy: -390.381741
where:
bonds (distance) C4'-P energy: -83.184
bonds (distance) P-C4' energy: -87.218
flat angles C4'-P-C4' energy: -90.626
flat angles P-C4'-P energy: -49.256
tors. eta vs tors. theta energy: -80.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -631.564917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.564917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.564917 (E_RNA)
where:
Base-Base interactions energy: -285.610
where: short stacking energy: -206.683
Base-Backbone interact. energy: -0.603
local terms energy: -345.352132
where:
bonds (distance) C4'-P energy: -71.337
bonds (distance) P-C4' energy: -89.183
flat angles C4'-P-C4' energy: -87.842
flat angles P-C4'-P energy: -53.072
tors. eta vs tors. theta energy: -43.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -495.947790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.947790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.947790 (E_RNA)
where:
Base-Base interactions energy: -204.348
where: short stacking energy: -168.036
Base-Backbone interact. energy: 0.436
local terms energy: -292.035738
where:
bonds (distance) C4'-P energy: -79.820
bonds (distance) P-C4' energy: -81.512
flat angles C4'-P-C4' energy: -75.164
flat angles P-C4'-P energy: -40.041
tors. eta vs tors. theta energy: -15.499
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: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -446.210929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.210929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.210929 (E_RNA)
where:
Base-Base interactions energy: -154.955
where: short stacking energy: -154.257
Base-Backbone interact. energy: -0.461
local terms energy: -290.795053
where:
bonds (distance) C4'-P energy: -85.831
bonds (distance) P-C4' energy: -75.748
flat angles C4'-P-C4' energy: -67.564
flat angles P-C4'-P energy: -48.283
tors. eta vs tors. theta energy: -13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -433.041679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.041679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.041679 (E_RNA)
where:
Base-Base interactions energy: -170.848
where: short stacking energy: -125.435
Base-Backbone interact. energy: 5.265
local terms energy: -267.458943
where:
bonds (distance) C4'-P energy: -84.302
bonds (distance) P-C4' energy: -80.976
flat angles C4'-P-C4' energy: -76.979
flat angles P-C4'-P energy: -40.595
tors. eta vs tors. theta energy: 15.393
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: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -389.510049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.510049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.510049 (E_RNA)
where:
Base-Base interactions energy: -139.224
where: short stacking energy: -119.236
Base-Backbone interact. energy: -2.038
local terms energy: -248.247567
where:
bonds (distance) C4'-P energy: -63.488
bonds (distance) P-C4' energy: -77.887
flat angles C4'-P-C4' energy: -67.558
flat angles P-C4'-P energy: -53.116
tors. eta vs tors. theta energy: 13.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -353.927664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.927664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.927664 (E_RNA)
where:
Base-Base interactions energy: -95.098
where: short stacking energy: -82.922
Base-Backbone interact. energy: -0.469
local terms energy: -258.360605
where:
bonds (distance) C4'-P energy: -91.393
bonds (distance) P-C4' energy: -79.014
flat angles C4'-P-C4' energy: -63.771
flat angles P-C4'-P energy: -33.680
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: 1, replica: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1113.143975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.143975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.143975 (E_RNA)
where:
Base-Base interactions energy: -647.910
where: short stacking energy: -399.739
Base-Backbone interact. energy: -0.247
local terms energy: -464.986733
where:
bonds (distance) C4'-P energy: -99.958
bonds (distance) P-C4' energy: -94.564
flat angles C4'-P-C4' energy: -93.210
flat angles P-C4'-P energy: -63.175
tors. eta vs tors. theta energy: -114.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -989.970330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.970330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.970330 (E_RNA)
where:
Base-Base interactions energy: -572.278
where: short stacking energy: -360.073
Base-Backbone interact. energy: -3.100
local terms energy: -414.592139
where:
bonds (distance) C4'-P energy: -93.379
bonds (distance) P-C4' energy: -90.766
flat angles C4'-P-C4' energy: -81.872
flat angles P-C4'-P energy: -61.911
tors. eta vs tors. theta energy: -86.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -871.923443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.923443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.923443 (E_RNA)
where:
Base-Base interactions energy: -458.388
where: short stacking energy: -278.938
Base-Backbone interact. energy: -0.377
local terms energy: -413.158400
where:
bonds (distance) C4'-P energy: -80.120
bonds (distance) P-C4' energy: -90.088
flat angles C4'-P-C4' energy: -99.529
flat angles P-C4'-P energy: -71.184
tors. eta vs tors. theta energy: -72.237
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: 44
Temperature: 1.050000
Total energy: -720.380691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.380691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.380691 (E_RNA)
where:
Base-Base interactions energy: -327.694
where: short stacking energy: -229.828
Base-Backbone interact. energy: -2.669
local terms energy: -390.018394
where:
bonds (distance) C4'-P energy: -97.071
bonds (distance) P-C4' energy: -100.100
flat angles C4'-P-C4' energy: -78.997
flat angles P-C4'-P energy: -64.852
tors. eta vs tors. theta energy: -48.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -601.911407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.911407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.911407 (E_RNA)
where:
Base-Base interactions energy: -261.315
where: short stacking energy: -200.616
Base-Backbone interact. energy: -0.114
local terms energy: -340.481950
where:
bonds (distance) C4'-P energy: -86.966
bonds (distance) P-C4' energy: -82.628
flat angles C4'-P-C4' energy: -85.722
flat angles P-C4'-P energy: -52.220
tors. eta vs tors. theta energy: -32.946
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: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -541.742689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.742689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.742689 (E_RNA)
where:
Base-Base interactions energy: -238.725
where: short stacking energy: -182.131
Base-Backbone interact. energy: 2.877
local terms energy: -305.894939
where:
bonds (distance) C4'-P energy: -77.783
bonds (distance) P-C4' energy: -79.576
flat angles C4'-P-C4' energy: -81.514
flat angles P-C4'-P energy: -51.906
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: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -454.202537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.202537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.202537 (E_RNA)
where:
Base-Base interactions energy: -159.861
where: short stacking energy: -143.992
Base-Backbone interact. energy: 3.678
local terms energy: -298.019213
where:
bonds (distance) C4'-P energy: -68.210
bonds (distance) P-C4' energy: -81.660
flat angles C4'-P-C4' energy: -75.881
flat angles P-C4'-P energy: -54.078
tors. eta vs tors. theta energy: -18.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -401.317215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.317215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.317215 (E_RNA)
where:
Base-Base interactions energy: -106.704
where: short stacking energy: -96.840
Base-Backbone interact. energy: 3.943
local terms energy: -298.556278
where:
bonds (distance) C4'-P energy: -84.035
bonds (distance) P-C4' energy: -84.230
flat angles C4'-P-C4' energy: -79.522
flat angles P-C4'-P energy: -43.405
tors. eta vs tors. theta energy: -7.365
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: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -403.479682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.479682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.479682 (E_RNA)
where:
Base-Base interactions energy: -117.153
where: short stacking energy: -109.388
Base-Backbone interact. energy: -1.392
local terms energy: -284.934648
where:
bonds (distance) C4'-P energy: -77.356
bonds (distance) P-C4' energy: -92.600
flat angles C4'-P-C4' energy: -76.373
flat angles P-C4'-P energy: -29.736
tors. eta vs tors. theta energy: -8.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -368.558904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.558904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.558904 (E_RNA)
where:
Base-Base interactions energy: -103.676
where: short stacking energy: -101.260
Base-Backbone interact. energy: 4.190
local terms energy: -269.073256
where:
bonds (distance) C4'-P energy: -77.897
bonds (distance) P-C4' energy: -78.113
flat angles C4'-P-C4' energy: -74.853
flat angles P-C4'-P energy: -41.122
tors. eta vs tors. theta energy: 2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1097.527079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.527079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.527079 (E_RNA)
where:
Base-Base interactions energy: -639.031
where: short stacking energy: -378.205
Base-Backbone interact. energy: -0.911
local terms energy: -457.584980
where:
bonds (distance) C4'-P energy: -88.511
bonds (distance) P-C4' energy: -99.392
flat angles C4'-P-C4' energy: -103.485
flat angles P-C4'-P energy: -57.200
tors. eta vs tors. theta energy: -108.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1012.839299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.839299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.839299 (E_RNA)
where:
Base-Base interactions energy: -579.206
where: short stacking energy: -345.942
Base-Backbone interact. energy: -0.652
local terms energy: -432.981374
where:
bonds (distance) C4'-P energy: -78.573
bonds (distance) P-C4' energy: -88.917
flat angles C4'-P-C4' energy: -96.443
flat angles P-C4'-P energy: -64.542
tors. eta vs tors. theta energy: -104.506
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: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -884.474773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.474773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.474773 (E_RNA)
where:
Base-Base interactions energy: -473.775
where: short stacking energy: -290.419
Base-Backbone interact. energy: -1.145
local terms energy: -409.554208
where:
bonds (distance) C4'-P energy: -88.875
bonds (distance) P-C4' energy: -97.361
flat angles C4'-P-C4' energy: -89.287
flat angles P-C4'-P energy: -57.242
tors. eta vs tors. theta energy: -76.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -733.446545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.446545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.446545 (E_RNA)
where:
Base-Base interactions energy: -372.519
where: short stacking energy: -246.283
Base-Backbone interact. energy: 5.335
local terms energy: -366.262002
where:
bonds (distance) C4'-P energy: -94.251
bonds (distance) P-C4' energy: -82.487
flat angles C4'-P-C4' energy: -87.068
flat angles P-C4'-P energy: -59.647
tors. eta vs tors. theta energy: -42.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -618.248099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.248099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.248099 (E_RNA)
where:
Base-Base interactions energy: -270.531
where: short stacking energy: -205.349
Base-Backbone interact. energy: 1.612
local terms energy: -349.328618
where:
bonds (distance) C4'-P energy: -88.754
bonds (distance) P-C4' energy: -91.534
flat angles C4'-P-C4' energy: -87.672
flat angles P-C4'-P energy: -47.659
tors. eta vs tors. theta energy: -33.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -518.921507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.921507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.921507 (E_RNA)
where:
Base-Base interactions energy: -218.682
where: short stacking energy: -145.983
Base-Backbone interact. energy: -1.391
local terms energy: -298.848238
where:
bonds (distance) C4'-P energy: -77.709
bonds (distance) P-C4' energy: -80.271
flat angles C4'-P-C4' energy: -83.983
flat angles P-C4'-P energy: -51.483
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: 7, replica: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -443.763948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.763948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.763948 (E_RNA)
where:
Base-Base interactions energy: -160.494
where: short stacking energy: -149.959
Base-Backbone interact. energy: -0.150
local terms energy: -283.119692
where:
bonds (distance) C4'-P energy: -70.587
bonds (distance) P-C4' energy: -85.559
flat angles C4'-P-C4' energy: -66.173
flat angles P-C4'-P energy: -35.275
tors. eta vs tors. theta energy: -25.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -423.967660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.967660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.967660 (E_RNA)
where:
Base-Base interactions energy: -139.847
where: short stacking energy: -125.472
Base-Backbone interact. energy: -0.239
local terms energy: -283.881560
where:
bonds (distance) C4'-P energy: -86.969
bonds (distance) P-C4' energy: -80.046
flat angles C4'-P-C4' energy: -67.532
flat angles P-C4'-P energy: -43.428
tors. eta vs tors. theta energy: -5.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -399.877200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.877200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.877200 (E_RNA)
where:
Base-Base interactions energy: -144.018
where: short stacking energy: -100.998
Base-Backbone interact. energy: 0.971
local terms energy: -256.830337
where:
bonds (distance) C4'-P energy: -97.028
bonds (distance) P-C4' energy: -82.976
flat angles C4'-P-C4' energy: -56.548
flat angles P-C4'-P energy: -30.208
tors. eta vs tors. theta energy: 9.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -360.369778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.369778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.369778 (E_RNA)
where:
Base-Base interactions energy: -120.256
where: short stacking energy: -104.831
Base-Backbone interact. energy: -0.175
local terms energy: -239.938868
where:
bonds (distance) C4'-P energy: -64.521
bonds (distance) P-C4' energy: -80.603
flat angles C4'-P-C4' energy: -75.900
flat angles P-C4'-P energy: -40.254
tors. eta vs tors. theta energy: 21.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1129.018391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.018391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.018391 (E_RNA)
where:
Base-Base interactions energy: -642.712
where: short stacking energy: -383.520
Base-Backbone interact. energy: -1.126
local terms energy: -485.181040
where:
bonds (distance) C4'-P energy: -99.515
bonds (distance) P-C4' energy: -102.968
flat angles C4'-P-C4' energy: -102.706
flat angles P-C4'-P energy: -60.114
tors. eta vs tors. theta energy: -119.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -985.716374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.716374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.716374 (E_RNA)
where:
Base-Base interactions energy: -560.784
where: short stacking energy: -338.208
Base-Backbone interact. energy: -0.822
local terms energy: -424.110541
where:
bonds (distance) C4'-P energy: -83.022
bonds (distance) P-C4' energy: -96.288
flat angles C4'-P-C4' energy: -94.984
flat angles P-C4'-P energy: -57.508
tors. eta vs tors. theta energy: -92.309
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: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -899.455744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.455744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.455744 (E_RNA)
where:
Base-Base interactions energy: -474.364
where: short stacking energy: -305.599
Base-Backbone interact. energy: -1.804
local terms energy: -423.288383
where:
bonds (distance) C4'-P energy: -96.843
bonds (distance) P-C4' energy: -83.673
flat angles C4'-P-C4' energy: -94.908
flat angles P-C4'-P energy: -58.201
tors. eta vs tors. theta energy: -89.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -728.297496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.297496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.297496 (E_RNA)
where:
Base-Base interactions energy: -361.547
where: short stacking energy: -240.889
Base-Backbone interact. energy: -0.210
local terms energy: -366.540018
where:
bonds (distance) C4'-P energy: -97.455
bonds (distance) P-C4' energy: -82.520
flat angles C4'-P-C4' energy: -84.618
flat angles P-C4'-P energy: -53.442
tors. eta vs tors. theta energy: -48.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -617.225548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.225548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.225548 (E_RNA)
where:
Base-Base interactions energy: -290.649
where: short stacking energy: -188.290
Base-Backbone interact. energy: -0.391
local terms energy: -326.185227
where:
bonds (distance) C4'-P energy: -93.194
bonds (distance) P-C4' energy: -82.265
flat angles C4'-P-C4' energy: -74.497
flat angles P-C4'-P energy: -46.031
tors. eta vs tors. theta energy: -30.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -493.683215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.683215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.683215 (E_RNA)
where:
Base-Base interactions energy: -189.450
where: short stacking energy: -164.357
Base-Backbone interact. energy: 2.208
local terms energy: -306.440911
where:
bonds (distance) C4'-P energy: -89.920
bonds (distance) P-C4' energy: -83.354
flat angles C4'-P-C4' energy: -67.788
flat angles P-C4'-P energy: -46.667
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -450.801994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.801994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.801994 (E_RNA)
where:
Base-Base interactions energy: -180.258
where: short stacking energy: -143.600
Base-Backbone interact. energy: -0.540
local terms energy: -270.004208
where:
bonds (distance) C4'-P energy: -74.135
bonds (distance) P-C4' energy: -73.397
flat angles C4'-P-C4' energy: -66.841
flat angles P-C4'-P energy: -46.889
tors. eta vs tors. theta energy: -8.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -424.951315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.951315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.951315 (E_RNA)
where:
Base-Base interactions energy: -138.408
where: short stacking energy: -116.676
Base-Backbone interact. energy: 2.297
local terms energy: -288.839757
where:
bonds (distance) C4'-P energy: -87.386
bonds (distance) P-C4' energy: -84.393
flat angles C4'-P-C4' energy: -70.941
flat angles P-C4'-P energy: -46.507
tors. eta vs tors. theta energy: 0.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -429.706029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.706029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.706029 (E_RNA)
where:
Base-Base interactions energy: -164.741
where: short stacking energy: -142.818
Base-Backbone interact. energy: -1.410
local terms energy: -263.554939
where:
bonds (distance) C4'-P energy: -61.311
bonds (distance) P-C4' energy: -89.000
flat angles C4'-P-C4' energy: -65.880
flat angles P-C4'-P energy: -32.197
tors. eta vs tors. theta energy: -15.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -351.528812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.528812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.528812 (E_RNA)
where:
Base-Base interactions energy: -112.736
where: short stacking energy: -103.398
Base-Backbone interact. energy: -1.866
local terms energy: -236.926825
where:
bonds (distance) C4'-P energy: -63.982
bonds (distance) P-C4' energy: -75.446
flat angles C4'-P-C4' energy: -78.154
flat angles P-C4'-P energy: -33.418
tors. eta vs tors. theta energy: 14.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1105.163561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.163561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.163561 (E_RNA)
where:
Base-Base interactions energy: -655.206
where: short stacking energy: -406.987
Base-Backbone interact. energy: -1.201
local terms energy: -448.756406
where:
bonds (distance) C4'-P energy: -94.024
bonds (distance) P-C4' energy: -92.966
flat angles C4'-P-C4' energy: -99.721
flat angles P-C4'-P energy: -53.125
tors. eta vs tors. theta energy: -108.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -989.220968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.220968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.220968 (E_RNA)
where:
Base-Base interactions energy: -545.019
where: short stacking energy: -342.479
Base-Backbone interact. energy: -3.162
local terms energy: -441.039554
where:
bonds (distance) C4'-P energy: -86.580
bonds (distance) P-C4' energy: -96.366
flat angles C4'-P-C4' energy: -90.820
flat angles P-C4'-P energy: -76.614
tors. eta vs tors. theta energy: -90.659
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: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -914.437224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.437224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.437224 (E_RNA)
where:
Base-Base interactions energy: -476.056
where: short stacking energy: -297.313
Base-Backbone interact. energy: 1.184
local terms energy: -439.564683
where:
bonds (distance) C4'-P energy: -100.100
bonds (distance) P-C4' energy: -90.664
flat angles C4'-P-C4' energy: -99.209
flat angles P-C4'-P energy: -70.455
tors. eta vs tors. theta energy: -79.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -720.072274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.072274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.072274 (E_RNA)
where:
Base-Base interactions energy: -338.681
where: short stacking energy: -227.119
Base-Backbone interact. energy: 4.288
local terms energy: -385.678946
where:
bonds (distance) C4'-P energy: -88.313
bonds (distance) P-C4' energy: -100.973
flat angles C4'-P-C4' energy: -89.453
flat angles P-C4'-P energy: -68.790
tors. eta vs tors. theta energy: -38.150
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: 8
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -648.672258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.672258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.672258 (E_RNA)
where:
Base-Base interactions energy: -327.877
where: short stacking energy: -220.628
Base-Backbone interact. energy: -1.431
local terms energy: -319.363534
where:
bonds (distance) C4'-P energy: -84.351
bonds (distance) P-C4' energy: -87.121
flat angles C4'-P-C4' energy: -75.700
flat angles P-C4'-P energy: -36.180
tors. eta vs tors. theta energy: -36.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -530.434206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.434206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.434206 (E_RNA)
where:
Base-Base interactions energy: -213.084
where: short stacking energy: -173.365
Base-Backbone interact. energy: -0.551
local terms energy: -316.798674
where:
bonds (distance) C4'-P energy: -77.575
bonds (distance) P-C4' energy: -99.989
flat angles C4'-P-C4' energy: -63.753
flat angles P-C4'-P energy: -53.348
tors. eta vs tors. theta energy: -22.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -414.915630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.915630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.915630 (E_RNA)
where:
Base-Base interactions energy: -155.306
where: short stacking energy: -123.162
Base-Backbone interact. energy: 1.949
local terms energy: -261.558367
where:
bonds (distance) C4'-P energy: -78.774
bonds (distance) P-C4' energy: -84.016
flat angles C4'-P-C4' energy: -66.411
flat angles P-C4'-P energy: -40.401
tors. eta vs tors. theta energy: 8.043
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: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -420.387141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.387141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.387141 (E_RNA)
where:
Base-Base interactions energy: -150.515
where: short stacking energy: -135.793
Base-Backbone interact. energy: 2.974
local terms energy: -272.846975
where:
bonds (distance) C4'-P energy: -78.650
bonds (distance) P-C4' energy: -77.463
flat angles C4'-P-C4' energy: -76.756
flat angles P-C4'-P energy: -40.056
tors. eta vs tors. theta energy: 0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -378.755862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.755862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.755862 (E_RNA)
where:
Base-Base interactions energy: -124.695
where: short stacking energy: -105.517
Base-Backbone interact. energy: 0.824
local terms energy: -254.884450
where:
bonds (distance) C4'-P energy: -62.889
bonds (distance) P-C4' energy: -84.705
flat angles C4'-P-C4' energy: -69.484
flat angles P-C4'-P energy: -46.288
tors. eta vs tors. theta energy: 8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -352.046400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.046400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.046400 (E_RNA)
where:
Base-Base interactions energy: -103.314
where: short stacking energy: -97.352
Base-Backbone interact. energy: 2.749
local terms energy: -251.481338
where:
bonds (distance) C4'-P energy: -67.426
bonds (distance) P-C4' energy: -71.104
flat angles C4'-P-C4' energy: -66.847
flat angles P-C4'-P energy: -56.439
tors. eta vs tors. theta energy: 10.334
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: 1, replica: 3
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1104.000026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.000026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.000026 (E_RNA)
where:
Base-Base interactions energy: -642.708
where: short stacking energy: -382.956
Base-Backbone interact. energy: 0.854
local terms energy: -462.146525
where:
bonds (distance) C4'-P energy: -84.905
bonds (distance) P-C4' energy: -98.618
flat angles C4'-P-C4' energy: -107.198
flat angles P-C4'-P energy: -56.723
tors. eta vs tors. theta energy: -114.701
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: 48
Temperature: 0.950000
Total energy: -1019.477251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.477251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.477251 (E_RNA)
where:
Base-Base interactions energy: -581.616
where: short stacking energy: -353.895
Base-Backbone interact. energy: -2.131
local terms energy: -435.730538
where:
bonds (distance) C4'-P energy: -93.398
bonds (distance) P-C4' energy: -87.319
flat angles C4'-P-C4' energy: -96.938
flat angles P-C4'-P energy: -55.319
tors. eta vs tors. theta energy: -102.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -930.046591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.046591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.046591 (E_RNA)
where:
Base-Base interactions energy: -523.234
where: short stacking energy: -324.835
Base-Backbone interact. energy: 3.641
local terms energy: -410.454062
where:
bonds (distance) C4'-P energy: -95.094
bonds (distance) P-C4' energy: -77.973
flat angles C4'-P-C4' energy: -87.790
flat angles P-C4'-P energy: -61.406
tors. eta vs tors. theta energy: -88.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -750.909100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.909100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.909100 (E_RNA)
where:
Base-Base interactions energy: -383.241
where: short stacking energy: -293.479
Base-Backbone interact. energy: 0.798
local terms energy: -368.466373
where:
bonds (distance) C4'-P energy: -87.266
bonds (distance) P-C4' energy: -83.077
flat angles C4'-P-C4' energy: -81.704
flat angles P-C4'-P energy: -58.339
tors. eta vs tors. theta energy: -58.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -601.301304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.301304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.301304 (E_RNA)
where:
Base-Base interactions energy: -249.224
where: short stacking energy: -192.278
Base-Backbone interact. energy: -2.052
local terms energy: -350.025183
where:
bonds (distance) C4'-P energy: -88.271
bonds (distance) P-C4' energy: -87.916
flat angles C4'-P-C4' energy: -85.923
flat angles P-C4'-P energy: -61.673
tors. eta vs tors. theta energy: -26.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -485.608342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.608342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.608342 (E_RNA)
where:
Base-Base interactions energy: -169.033
where: short stacking energy: -154.723
Base-Backbone interact. energy: -1.691
local terms energy: -314.883493
where:
bonds (distance) C4'-P energy: -71.982
bonds (distance) P-C4' energy: -95.136
flat angles C4'-P-C4' energy: -86.821
flat angles P-C4'-P energy: -56.613
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: 7, replica: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -441.656052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.656052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.656052 (E_RNA)
where:
Base-Base interactions energy: -177.407
where: short stacking energy: -133.659
Base-Backbone interact. energy: -1.574
local terms energy: -262.674955
where:
bonds (distance) C4'-P energy: -72.009
bonds (distance) P-C4' energy: -76.128
flat angles C4'-P-C4' energy: -73.916
flat angles P-C4'-P energy: -43.514
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: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -405.339905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.339905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.339905 (E_RNA)
where:
Base-Base interactions energy: -168.112
where: short stacking energy: -156.029
Base-Backbone interact. energy: -2.872
local terms energy: -234.355937
where:
bonds (distance) C4'-P energy: -70.991
bonds (distance) P-C4' energy: -67.355
flat angles C4'-P-C4' energy: -68.177
flat angles P-C4'-P energy: -32.345
tors. eta vs tors. theta energy: 4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -390.721035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.721035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.721035 (E_RNA)
where:
Base-Base interactions energy: -122.320
where: short stacking energy: -103.067
Base-Backbone interact. energy: 1.361
local terms energy: -269.762354
where:
bonds (distance) C4'-P energy: -81.031
bonds (distance) P-C4' energy: -88.617
flat angles C4'-P-C4' energy: -54.079
flat angles P-C4'-P energy: -51.636
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: 10, replica: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -392.687210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.687210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.687210 (E_RNA)
where:
Base-Base interactions energy: -143.997
where: short stacking energy: -112.411
Base-Backbone interact. energy: 4.717
local terms energy: -253.407407
where:
bonds (distance) C4'-P energy: -77.748
bonds (distance) P-C4' energy: -77.017
flat angles C4'-P-C4' energy: -70.096
flat angles P-C4'-P energy: -40.112
tors. eta vs tors. theta energy: 11.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1080.830532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.830532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.830532 (E_RNA)
where:
Base-Base interactions energy: -624.586
where: short stacking energy: -397.091
Base-Backbone interact. energy: -0.553
local terms energy: -455.691059
where:
bonds (distance) C4'-P energy: -85.642
bonds (distance) P-C4' energy: -98.032
flat angles C4'-P-C4' energy: -90.554
flat angles P-C4'-P energy: -60.351
tors. eta vs tors. theta energy: -121.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1017.734440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.734440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.734440 (E_RNA)
where:
Base-Base interactions energy: -563.074
where: short stacking energy: -354.535
Base-Backbone interact. energy: -1.016
local terms energy: -453.643817
where:
bonds (distance) C4'-P energy: -83.916
bonds (distance) P-C4' energy: -100.158
flat angles C4'-P-C4' energy: -106.705
flat angles P-C4'-P energy: -72.920
tors. eta vs tors. theta energy: -89.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -876.227153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.227153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.227153 (E_RNA)
where:
Base-Base interactions energy: -467.022
where: short stacking energy: -271.888
Base-Backbone interact. energy: -1.954
local terms energy: -407.251185
where:
bonds (distance) C4'-P energy: -90.068
bonds (distance) P-C4' energy: -89.392
flat angles C4'-P-C4' energy: -101.474
flat angles P-C4'-P energy: -59.462
tors. eta vs tors. theta energy: -66.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -741.420589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.420589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.420589 (E_RNA)
where:
Base-Base interactions energy: -391.493
where: short stacking energy: -266.063
Base-Backbone interact. energy: -1.020
local terms energy: -348.907219
where:
bonds (distance) C4'-P energy: -77.055
bonds (distance) P-C4' energy: -85.490
flat angles C4'-P-C4' energy: -86.813
flat angles P-C4'-P energy: -51.260
tors. eta vs tors. theta energy: -48.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -606.962642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.962642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.962642 (E_RNA)
where:
Base-Base interactions energy: -274.889
where: short stacking energy: -210.086
Base-Backbone interact. energy: 0.486
local terms energy: -332.560069
where:
bonds (distance) C4'-P energy: -79.475
bonds (distance) P-C4' energy: -91.278
flat angles C4'-P-C4' energy: -87.626
flat angles P-C4'-P energy: -56.299
tors. eta vs tors. theta energy: -17.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -545.032470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.032470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.032470 (E_RNA)
where:
Base-Base interactions energy: -229.922
where: short stacking energy: -186.152
Base-Backbone interact. energy: 0.772
local terms energy: -315.882998
where:
bonds (distance) C4'-P energy: -89.856
bonds (distance) P-C4' energy: -82.306
flat angles C4'-P-C4' energy: -67.103
flat angles P-C4'-P energy: -53.095
tors. eta vs tors. theta energy: -23.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -459.491156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.491156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.491156 (E_RNA)
where:
Base-Base interactions energy: -163.783
where: short stacking energy: -150.301
Base-Backbone interact. energy: 3.984
local terms energy: -299.691549
where:
bonds (distance) C4'-P energy: -83.664
bonds (distance) P-C4' energy: -72.564
flat angles C4'-P-C4' energy: -95.096
flat angles P-C4'-P energy: -38.803
tors. eta vs tors. theta energy: -9.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -421.822031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.822031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.822031 (E_RNA)
where:
Base-Base interactions energy: -145.473
where: short stacking energy: -131.877
Base-Backbone interact. energy: 0.304
local terms energy: -276.652893
where:
bonds (distance) C4'-P energy: -70.712
bonds (distance) P-C4' energy: -90.421
flat angles C4'-P-C4' energy: -84.441
flat angles P-C4'-P energy: -40.164
tors. eta vs tors. theta energy: 9.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -400.137985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.137985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.137985 (E_RNA)
where:
Base-Base interactions energy: -142.620
where: short stacking energy: -129.710
Base-Backbone interact. energy: -0.831
local terms energy: -256.687115
where:
bonds (distance) C4'-P energy: -70.131
bonds (distance) P-C4' energy: -70.860
flat angles C4'-P-C4' energy: -70.954
flat angles P-C4'-P energy: -39.024
tors. eta vs tors. theta energy: -5.718
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: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -402.614440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.614440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.614440 (E_RNA)
where:
Base-Base interactions energy: -126.506
where: short stacking energy: -110.211
Base-Backbone interact. energy: 4.026
local terms energy: -280.134696
where:
bonds (distance) C4'-P energy: -72.981
bonds (distance) P-C4' energy: -83.710
flat angles C4'-P-C4' energy: -76.070
flat angles P-C4'-P energy: -43.044
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1121.156620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.156620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.156620 (E_RNA)
where:
Base-Base interactions energy: -652.777
where: short stacking energy: -406.051
Base-Backbone interact. energy: 0.945
local terms energy: -469.324529
where:
bonds (distance) C4'-P energy: -89.963
bonds (distance) P-C4' energy: -82.834
flat angles C4'-P-C4' energy: -112.125
flat angles P-C4'-P energy: -62.320
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: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1027.660146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.660146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.660146 (E_RNA)
where:
Base-Base interactions energy: -589.327
where: short stacking energy: -342.607
Base-Backbone interact. energy: -2.247
local terms energy: -436.086231
where:
bonds (distance) C4'-P energy: -81.619
bonds (distance) P-C4' energy: -99.839
flat angles C4'-P-C4' energy: -106.082
flat angles P-C4'-P energy: -58.691
tors. eta vs tors. theta energy: -89.855
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: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -898.540613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.540613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.540613 (E_RNA)
where:
Base-Base interactions energy: -493.822
where: short stacking energy: -289.074
Base-Backbone interact. energy: -0.849
local terms energy: -403.869061
where:
bonds (distance) C4'-P energy: -83.372
bonds (distance) P-C4' energy: -94.968
flat angles C4'-P-C4' energy: -99.247
flat angles P-C4'-P energy: -54.418
tors. eta vs tors. theta energy: -71.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -752.893015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.893015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.893015 (E_RNA)
where:
Base-Base interactions energy: -376.787
where: short stacking energy: -258.539
Base-Backbone interact. energy: 0.118
local terms energy: -376.224261
where:
bonds (distance) C4'-P energy: -94.092
bonds (distance) P-C4' energy: -88.656
flat angles C4'-P-C4' energy: -88.883
flat angles P-C4'-P energy: -43.239
tors. eta vs tors. theta energy: -61.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -609.406713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.406713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.406713 (E_RNA)
where:
Base-Base interactions energy: -259.024
where: short stacking energy: -196.845
Base-Backbone interact. energy: -0.483
local terms energy: -349.899420
where:
bonds (distance) C4'-P energy: -86.571
bonds (distance) P-C4' energy: -90.679
flat angles C4'-P-C4' energy: -87.690
flat angles P-C4'-P energy: -52.919
tors. eta vs tors. theta energy: -32.041
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: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -496.866869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.866869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.866869 (E_RNA)
where:
Base-Base interactions energy: -208.329
where: short stacking energy: -155.519
Base-Backbone interact. energy: -2.306
local terms energy: -286.231428
where:
bonds (distance) C4'-P energy: -71.252
bonds (distance) P-C4' energy: -90.034
flat angles C4'-P-C4' energy: -76.810
flat angles P-C4'-P energy: -46.183
tors. eta vs tors. theta energy: -1.953
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: 10
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -465.209272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.209272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.209272 (E_RNA)
where:
Base-Base interactions energy: -162.728
where: short stacking energy: -127.138
Base-Backbone interact. energy: -0.727
local terms energy: -301.754898
where:
bonds (distance) C4'-P energy: -85.520
bonds (distance) P-C4' energy: -90.343
flat angles C4'-P-C4' energy: -84.569
flat angles P-C4'-P energy: -37.590
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -403.539510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.539510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.539510 (E_RNA)
where:
Base-Base interactions energy: -154.988
where: short stacking energy: -107.951
Base-Backbone interact. energy: 0.627
local terms energy: -249.178227
where:
bonds (distance) C4'-P energy: -66.157
bonds (distance) P-C4' energy: -90.681
flat angles C4'-P-C4' energy: -57.407
flat angles P-C4'-P energy: -44.291
tors. eta vs tors. theta energy: 9.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -386.490078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.490078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.490078 (E_RNA)
where:
Base-Base interactions energy: -138.309
where: short stacking energy: -124.269
Base-Backbone interact. energy: 0.523
local terms energy: -248.704027
where:
bonds (distance) C4'-P energy: -61.077
bonds (distance) P-C4' energy: -84.632
flat angles C4'-P-C4' energy: -71.490
flat angles P-C4'-P energy: -41.218
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: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -345.371068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.371068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.371068 (E_RNA)
where:
Base-Base interactions energy: -107.425
where: short stacking energy: -90.027
Base-Backbone interact. energy: -0.463
local terms energy: -237.483157
where:
bonds (distance) C4'-P energy: -69.739
bonds (distance) P-C4' energy: -81.880
flat angles C4'-P-C4' energy: -53.492
flat angles P-C4'-P energy: -49.510
tors. eta vs tors. theta energy: 17.138
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: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1138.610928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.610928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.610928 (E_RNA)
where:
Base-Base interactions energy: -652.484
where: short stacking energy: -426.297
Base-Backbone interact. energy: -0.427
local terms energy: -485.699589
where:
bonds (distance) C4'-P energy: -87.199
bonds (distance) P-C4' energy: -98.254
flat angles C4'-P-C4' energy: -106.821
flat angles P-C4'-P energy: -69.163
tors. eta vs tors. theta energy: -124.262
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: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1020.907067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.907067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.907067 (E_RNA)
where:
Base-Base interactions energy: -584.273
where: short stacking energy: -348.752
Base-Backbone interact. energy: -0.049
local terms energy: -436.585287
where:
bonds (distance) C4'-P energy: -75.138
bonds (distance) P-C4' energy: -94.415
flat angles C4'-P-C4' energy: -97.223
flat angles P-C4'-P energy: -69.178
tors. eta vs tors. theta energy: -100.631
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: 51
Temperature: 1.000000
Total energy: -919.995347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.995347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.995347 (E_RNA)
where:
Base-Base interactions energy: -520.921
where: short stacking energy: -311.111
Base-Backbone interact. energy: -1.816
local terms energy: -397.258960
where:
bonds (distance) C4'-P energy: -85.938
bonds (distance) P-C4' energy: -86.859
flat angles C4'-P-C4' energy: -84.387
flat angles P-C4'-P energy: -56.581
tors. eta vs tors. theta energy: -83.494
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: 51
Temperature: 1.050000
Total energy: -791.376952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.376952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.376952 (E_RNA)
where:
Base-Base interactions energy: -408.993
where: short stacking energy: -251.006
Base-Backbone interact. energy: -1.211
local terms energy: -381.173251
where:
bonds (distance) C4'-P energy: -93.783
bonds (distance) P-C4' energy: -75.062
flat angles C4'-P-C4' energy: -99.190
flat angles P-C4'-P energy: -53.932
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: 5, replica: 8
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -599.565268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.565268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.565268 (E_RNA)
where:
Base-Base interactions energy: -250.975
where: short stacking energy: -201.433
Base-Backbone interact. energy: 2.057
local terms energy: -350.646896
where:
bonds (distance) C4'-P energy: -86.990
bonds (distance) P-C4' energy: -91.488
flat angles C4'-P-C4' energy: -92.501
flat angles P-C4'-P energy: -46.646
tors. eta vs tors. theta energy: -33.023
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: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -508.181481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.181481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.181481 (E_RNA)
where:
Base-Base interactions energy: -210.102
where: short stacking energy: -180.603
Base-Backbone interact. energy: -0.912
local terms energy: -297.167178
where:
bonds (distance) C4'-P energy: -82.733
bonds (distance) P-C4' energy: -90.839
flat angles C4'-P-C4' energy: -67.237
flat angles P-C4'-P energy: -33.166
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -436.785715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.785715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.785715 (E_RNA)
where:
Base-Base interactions energy: -157.119
where: short stacking energy: -144.507
Base-Backbone interact. energy: 0.200
local terms energy: -279.866867
where:
bonds (distance) C4'-P energy: -80.861
bonds (distance) P-C4' energy: -81.618
flat angles C4'-P-C4' energy: -67.528
flat angles P-C4'-P energy: -44.251
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: 8, replica: 1
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -453.700821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.700821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.700821 (E_RNA)
where:
Base-Base interactions energy: -158.307
where: short stacking energy: -147.413
Base-Backbone interact. energy: -0.556
local terms energy: -294.838622
where:
bonds (distance) C4'-P energy: -75.993
bonds (distance) P-C4' energy: -84.938
flat angles C4'-P-C4' energy: -78.394
flat angles P-C4'-P energy: -44.389
tors. eta vs tors. theta energy: -11.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -375.174520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.174520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.174520 (E_RNA)
where:
Base-Base interactions energy: -126.060
where: short stacking energy: -107.633
Base-Backbone interact. energy: -1.071
local terms energy: -248.043223
where:
bonds (distance) C4'-P energy: -66.361
bonds (distance) P-C4' energy: -78.842
flat angles C4'-P-C4' energy: -73.822
flat angles P-C4'-P energy: -36.782
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: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -389.803160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.803160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.803160 (E_RNA)
where:
Base-Base interactions energy: -138.431
where: short stacking energy: -133.002
Base-Backbone interact. energy: -0.646
local terms energy: -250.725380
where:
bonds (distance) C4'-P energy: -63.280
bonds (distance) P-C4' energy: -62.714
flat angles C4'-P-C4' energy: -83.724
flat angles P-C4'-P energy: -32.818
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: 1, replica: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1155.130949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.130949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.130949 (E_RNA)
where:
Base-Base interactions energy: -640.370
where: short stacking energy: -414.376
Base-Backbone interact. energy: 2.572
local terms energy: -517.333012
where:
bonds (distance) C4'-P energy: -98.875
bonds (distance) P-C4' energy: -107.579
flat angles C4'-P-C4' energy: -106.422
flat angles P-C4'-P energy: -75.792
tors. eta vs tors. theta energy: -128.665
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: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1041.290485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.290485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.290485 (E_RNA)
where:
Base-Base interactions energy: -608.631
where: short stacking energy: -349.538
Base-Backbone interact. energy: -0.397
local terms energy: -432.261764
where:
bonds (distance) C4'-P energy: -78.838
bonds (distance) P-C4' energy: -93.082
flat angles C4'-P-C4' energy: -101.005
flat angles P-C4'-P energy: -68.502
tors. eta vs tors. theta energy: -90.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -914.962070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.962070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.962070 (E_RNA)
where:
Base-Base interactions energy: -490.478
where: short stacking energy: -328.436
Base-Backbone interact. energy: -0.781
local terms energy: -423.703422
where:
bonds (distance) C4'-P energy: -74.225
bonds (distance) P-C4' energy: -91.379
flat angles C4'-P-C4' energy: -96.114
flat angles P-C4'-P energy: -70.800
tors. eta vs tors. theta energy: -91.185
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: 52
Temperature: 1.050000
Total energy: -810.148153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.148153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.148153 (E_RNA)
where:
Base-Base interactions energy: -464.993
where: short stacking energy: -275.446
Base-Backbone interact. energy: 1.933
local terms energy: -347.087799
where:
bonds (distance) C4'-P energy: -69.457
bonds (distance) P-C4' energy: -91.587
flat angles C4'-P-C4' energy: -83.084
flat angles P-C4'-P energy: -46.901
tors. eta vs tors. theta energy: -56.059
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: 8
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -572.723549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.723549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.723549 (E_RNA)
where:
Base-Base interactions energy: -237.986
where: short stacking energy: -166.329
Base-Backbone interact. energy: -2.105
local terms energy: -332.632750
where:
bonds (distance) C4'-P energy: -86.515
bonds (distance) P-C4' energy: -97.032
flat angles C4'-P-C4' energy: -73.860
flat angles P-C4'-P energy: -61.020
tors. eta vs tors. theta energy: -14.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -474.853187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.853187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.853187 (E_RNA)
where:
Base-Base interactions energy: -171.564
where: short stacking energy: -149.673
Base-Backbone interact. energy: 1.288
local terms energy: -304.578039
where:
bonds (distance) C4'-P energy: -87.904
bonds (distance) P-C4' energy: -97.999
flat angles C4'-P-C4' energy: -72.215
flat angles P-C4'-P energy: -35.998
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: 7, replica: 1
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -455.624314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.624314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.624314 (E_RNA)
where:
Base-Base interactions energy: -169.941
where: short stacking energy: -141.297
Base-Backbone interact. energy: 0.206
local terms energy: -285.889432
where:
bonds (distance) C4'-P energy: -76.592
bonds (distance) P-C4' energy: -92.233
flat angles C4'-P-C4' energy: -72.208
flat angles P-C4'-P energy: -39.832
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -411.204423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.204423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.204423 (E_RNA)
where:
Base-Base interactions energy: -169.594
where: short stacking energy: -136.081
Base-Backbone interact. energy: 2.855
local terms energy: -244.465217
where:
bonds (distance) C4'-P energy: -80.853
bonds (distance) P-C4' energy: -83.757
flat angles C4'-P-C4' energy: -48.135
flat angles P-C4'-P energy: -42.878
tors. eta vs tors. theta energy: 11.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -421.391078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.391078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.391078 (E_RNA)
where:
Base-Base interactions energy: -134.994
where: short stacking energy: -113.896
Base-Backbone interact. energy: -2.603
local terms energy: -283.793885
where:
bonds (distance) C4'-P energy: -75.839
bonds (distance) P-C4' energy: -81.773
flat angles C4'-P-C4' energy: -67.765
flat angles P-C4'-P energy: -48.761
tors. eta vs tors. theta energy: -9.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -366.713783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.713783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.713783 (E_RNA)
where:
Base-Base interactions energy: -118.236
where: short stacking energy: -99.581
Base-Backbone interact. energy: -0.904
local terms energy: -247.573506
where:
bonds (distance) C4'-P energy: -83.821
bonds (distance) P-C4' energy: -77.544
flat angles C4'-P-C4' energy: -68.541
flat angles P-C4'-P energy: -29.147
tors. eta vs tors. theta energy: 11.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1092.597624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.597624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.597624 (E_RNA)
where:
Base-Base interactions energy: -621.691
where: short stacking energy: -407.151
Base-Backbone interact. energy: 0.223
local terms energy: -471.129785
where:
bonds (distance) C4'-P energy: -100.502
bonds (distance) P-C4' energy: -100.367
flat angles C4'-P-C4' energy: -100.418
flat angles P-C4'-P energy: -64.532
tors. eta vs tors. theta energy: -105.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1062.552192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.552192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.552192 (E_RNA)
where:
Base-Base interactions energy: -614.571
where: short stacking energy: -361.881
Base-Backbone interact. energy: -0.135
local terms energy: -447.845605
where:
bonds (distance) C4'-P energy: -97.728
bonds (distance) P-C4' energy: -78.777
flat angles C4'-P-C4' energy: -98.535
flat angles P-C4'-P energy: -74.363
tors. eta vs tors. theta energy: -98.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -931.020187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.020187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.020187 (E_RNA)
where:
Base-Base interactions energy: -529.748
where: short stacking energy: -323.268
Base-Backbone interact. energy: -0.798
local terms energy: -400.474046
where:
bonds (distance) C4'-P energy: -91.589
bonds (distance) P-C4' energy: -85.047
flat angles C4'-P-C4' energy: -81.268
flat angles P-C4'-P energy: -57.739
tors. eta vs tors. theta energy: -84.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -888.077362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.077362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.077362 (E_RNA)
where:
Base-Base interactions energy: -488.112
where: short stacking energy: -299.846
Base-Backbone interact. energy: 1.759
local terms energy: -401.724150
where:
bonds (distance) C4'-P energy: -87.235
bonds (distance) P-C4' energy: -94.145
flat angles C4'-P-C4' energy: -91.824
flat angles P-C4'-P energy: -57.229
tors. eta vs tors. theta energy: -71.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -544.514849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.514849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.514849 (E_RNA)
where:
Base-Base interactions energy: -213.651
where: short stacking energy: -186.093
Base-Backbone interact. energy: -0.221
local terms energy: -330.643069
where:
bonds (distance) C4'-P energy: -74.478
bonds (distance) P-C4' energy: -93.882
flat angles C4'-P-C4' energy: -85.784
flat angles P-C4'-P energy: -53.859
tors. eta vs tors. theta energy: -22.641
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: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -516.170397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.170397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.170397 (E_RNA)
where:
Base-Base interactions energy: -200.554
where: short stacking energy: -156.331
Base-Backbone interact. energy: 0.877
local terms energy: -316.493463
where:
bonds (distance) C4'-P energy: -74.867
bonds (distance) P-C4' energy: -86.664
flat angles C4'-P-C4' energy: -84.736
flat angles P-C4'-P energy: -47.254
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: 7, replica: 1
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -552.658127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.658127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.658127 (E_RNA)
where:
Base-Base interactions energy: -238.041
where: short stacking energy: -185.322
Base-Backbone interact. energy: -2.101
local terms energy: -312.515712
where:
bonds (distance) C4'-P energy: -88.382
bonds (distance) P-C4' energy: -80.825
flat angles C4'-P-C4' energy: -69.157
flat angles P-C4'-P energy: -43.751
tors. eta vs tors. theta energy: -30.402
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: 8, replica: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -413.726899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.726899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.726899 (E_RNA)
where:
Base-Base interactions energy: -164.568
where: short stacking energy: -112.656
Base-Backbone interact. energy: 0.032
local terms energy: -249.191009
where:
bonds (distance) C4'-P energy: -77.606
bonds (distance) P-C4' energy: -76.753
flat angles C4'-P-C4' energy: -69.604
flat angles P-C4'-P energy: -36.238
tors. eta vs tors. theta energy: 11.009
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: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -377.731293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.731293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.731293 (E_RNA)
where:
Base-Base interactions energy: -122.768
where: short stacking energy: -111.878
Base-Backbone interact. energy: -0.304
local terms energy: -254.659667
where:
bonds (distance) C4'-P energy: -65.038
bonds (distance) P-C4' energy: -95.404
flat angles C4'-P-C4' energy: -65.649
flat angles P-C4'-P energy: -45.022
tors. eta vs tors. theta energy: 16.454
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: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -405.631786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.631786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.631786 (E_RNA)
where:
Base-Base interactions energy: -165.057
where: short stacking energy: -126.647
Base-Backbone interact. energy: -0.260
local terms energy: -240.314415
where:
bonds (distance) C4'-P energy: -67.364
bonds (distance) P-C4' energy: -80.876
flat angles C4'-P-C4' energy: -59.167
flat angles P-C4'-P energy: -35.585
tors. eta vs tors. theta energy: 2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1150.697575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.697575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.697575 (E_RNA)
where:
Base-Base interactions energy: -674.092
where: short stacking energy: -427.325
Base-Backbone interact. energy: 2.045
local terms energy: -478.650144
where:
bonds (distance) C4'-P energy: -91.157
bonds (distance) P-C4' energy: -100.403
flat angles C4'-P-C4' energy: -104.222
flat angles P-C4'-P energy: -57.093
tors. eta vs tors. theta energy: -125.775
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: 54
Temperature: 0.950000
Total energy: -1004.011697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.011697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.011697 (E_RNA)
where:
Base-Base interactions energy: -579.026
where: short stacking energy: -347.734
Base-Backbone interact. energy: -1.637
local terms energy: -423.348624
where:
bonds (distance) C4'-P energy: -85.104
bonds (distance) P-C4' energy: -95.953
flat angles C4'-P-C4' energy: -82.866
flat angles P-C4'-P energy: -69.317
tors. eta vs tors. theta energy: -90.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -890.138851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.138851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.138851 (E_RNA)
where:
Base-Base interactions energy: -475.082
where: short stacking energy: -273.132
Base-Backbone interact. energy: -2.816
local terms energy: -412.241230
where:
bonds (distance) C4'-P energy: -93.644
bonds (distance) P-C4' energy: -92.921
flat angles C4'-P-C4' energy: -96.419
flat angles P-C4'-P energy: -56.475
tors. eta vs tors. theta energy: -72.782
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: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -801.219032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.219032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.219032 (E_RNA)
where:
Base-Base interactions energy: -434.832
where: short stacking energy: -248.452
Base-Backbone interact. energy: 1.736
local terms energy: -368.123424
where:
bonds (distance) C4'-P energy: -80.924
bonds (distance) P-C4' energy: -89.911
flat angles C4'-P-C4' energy: -98.086
flat angles P-C4'-P energy: -56.182
tors. eta vs tors. theta energy: -43.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -572.336984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.336984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.336984 (E_RNA)
where:
Base-Base interactions energy: -245.277
where: short stacking energy: -189.516
Base-Backbone interact. energy: -0.936
local terms energy: -326.124440
where:
bonds (distance) C4'-P energy: -89.798
bonds (distance) P-C4' energy: -83.876
flat angles C4'-P-C4' energy: -78.051
flat angles P-C4'-P energy: -48.528
tors. eta vs tors. theta energy: -25.870
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: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -494.281854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.281854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.281854 (E_RNA)
where:
Base-Base interactions energy: -199.520
where: short stacking energy: -150.928
Base-Backbone interact. energy: -1.280
local terms energy: -293.482121
where:
bonds (distance) C4'-P energy: -88.044
bonds (distance) P-C4' energy: -81.987
flat angles C4'-P-C4' energy: -76.228
flat angles P-C4'-P energy: -48.175
tors. eta vs tors. theta energy: 0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -504.948769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.948769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.948769 (E_RNA)
where:
Base-Base interactions energy: -200.911
where: short stacking energy: -161.373
Base-Backbone interact. energy: -0.358
local terms energy: -303.680201
where:
bonds (distance) C4'-P energy: -71.942
bonds (distance) P-C4' energy: -86.500
flat angles C4'-P-C4' energy: -84.474
flat angles P-C4'-P energy: -44.631
tors. eta vs tors. theta energy: -16.133
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: 54
Temperature: 1.250000
Total energy: -418.543679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.543679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.543679 (E_RNA)
where:
Base-Base interactions energy: -140.950
where: short stacking energy: -127.496
Base-Backbone interact. energy: -1.628
local terms energy: -275.965684
where:
bonds (distance) C4'-P energy: -73.252
bonds (distance) P-C4' energy: -98.280
flat angles C4'-P-C4' energy: -68.855
flat angles P-C4'-P energy: -38.180
tors. eta vs tors. theta energy: 2.602
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: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -366.031547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.031547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.031547 (E_RNA)
where:
Base-Base interactions energy: -137.910
where: short stacking energy: -123.179
Base-Backbone interact. energy: 2.034
local terms energy: -230.155708
where:
bonds (distance) C4'-P energy: -62.288
bonds (distance) P-C4' energy: -77.779
flat angles C4'-P-C4' energy: -67.737
flat angles P-C4'-P energy: -30.584
tors. eta vs tors. theta energy: 8.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -365.551447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.551447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.551447 (E_RNA)
where:
Base-Base interactions energy: -125.950
where: short stacking energy: -114.371
Base-Backbone interact. energy: -1.340
local terms energy: -238.261732
where:
bonds (distance) C4'-P energy: -82.375
bonds (distance) P-C4' energy: -84.421
flat angles C4'-P-C4' energy: -56.042
flat angles P-C4'-P energy: -32.841
tors. eta vs tors. theta energy: 17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1176.606420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.606420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.606420 (E_RNA)
where:
Base-Base interactions energy: -680.738
where: short stacking energy: -423.095
Base-Backbone interact. energy: 3.658
local terms energy: -499.527315
where:
bonds (distance) C4'-P energy: -94.389
bonds (distance) P-C4' energy: -95.660
flat angles C4'-P-C4' energy: -108.345
flat angles P-C4'-P energy: -64.795
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: 55
Temperature: 0.950000
Total energy: -1009.401257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.401257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.401257 (E_RNA)
where:
Base-Base interactions energy: -586.758
where: short stacking energy: -358.991
Base-Backbone interact. energy: -1.929
local terms energy: -420.714927
where:
bonds (distance) C4'-P energy: -81.704
bonds (distance) P-C4' energy: -98.826
flat angles C4'-P-C4' energy: -95.135
flat angles P-C4'-P energy: -62.266
tors. eta vs tors. theta energy: -82.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -904.793024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.793024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.793024 (E_RNA)
where:
Base-Base interactions energy: -498.486
where: short stacking energy: -297.824
Base-Backbone interact. energy: -1.739
local terms energy: -404.568841
where:
bonds (distance) C4'-P energy: -91.349
bonds (distance) P-C4' energy: -95.288
flat angles C4'-P-C4' energy: -91.567
flat angles P-C4'-P energy: -56.682
tors. eta vs tors. theta energy: -69.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -804.674226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.674226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.674226 (E_RNA)
where:
Base-Base interactions energy: -428.740
where: short stacking energy: -246.937
Base-Backbone interact. energy: 0.903
local terms energy: -376.837651
where:
bonds (distance) C4'-P energy: -81.270
bonds (distance) P-C4' energy: -83.052
flat angles C4'-P-C4' energy: -95.944
flat angles P-C4'-P energy: -63.405
tors. eta vs tors. theta energy: -53.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -590.801935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.801935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.801935 (E_RNA)
where:
Base-Base interactions energy: -261.645
where: short stacking energy: -186.556
Base-Backbone interact. energy: -0.257
local terms energy: -328.900297
where:
bonds (distance) C4'-P energy: -82.189
bonds (distance) P-C4' energy: -90.418
flat angles C4'-P-C4' energy: -83.611
flat angles P-C4'-P energy: -44.574
tors. eta vs tors. theta energy: -28.108
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: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -509.239812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.239812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.239812 (E_RNA)
where:
Base-Base interactions energy: -184.582
where: short stacking energy: -172.486
Base-Backbone interact. energy: 2.521
local terms energy: -327.178785
where:
bonds (distance) C4'-P energy: -77.905
bonds (distance) P-C4' energy: -92.677
flat angles C4'-P-C4' energy: -83.602
flat angles P-C4'-P energy: -56.397
tors. eta vs tors. theta energy: -16.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -450.706630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.706630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.706630 (E_RNA)
where:
Base-Base interactions energy: -159.546
where: short stacking energy: -148.648
Base-Backbone interact. energy: -1.169
local terms energy: -289.991949
where:
bonds (distance) C4'-P energy: -78.826
bonds (distance) P-C4' energy: -84.603
flat angles C4'-P-C4' energy: -67.844
flat angles P-C4'-P energy: -54.825
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -415.512586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.512586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.512586 (E_RNA)
where:
Base-Base interactions energy: -149.173
where: short stacking energy: -120.855
Base-Backbone interact. energy: 0.356
local terms energy: -266.695556
where:
bonds (distance) C4'-P energy: -73.269
bonds (distance) P-C4' energy: -70.014
flat angles C4'-P-C4' energy: -66.190
flat angles P-C4'-P energy: -49.804
tors. eta vs tors. theta energy: -7.418
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: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -370.618440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.618440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.618440 (E_RNA)
where:
Base-Base interactions energy: -119.847
where: short stacking energy: -111.827
Base-Backbone interact. energy: 1.469
local terms energy: -252.239904
where:
bonds (distance) C4'-P energy: -86.874
bonds (distance) P-C4' energy: -76.614
flat angles C4'-P-C4' energy: -57.599
flat angles P-C4'-P energy: -41.922
tors. eta vs tors. theta energy: 10.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -362.417997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.417997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.417997 (E_RNA)
where:
Base-Base interactions energy: -124.055
where: short stacking energy: -96.942
Base-Backbone interact. energy: 0.273
local terms energy: -238.636086
where:
bonds (distance) C4'-P energy: -68.590
bonds (distance) P-C4' energy: -75.985
flat angles C4'-P-C4' energy: -52.793
flat angles P-C4'-P energy: -47.052
tors. eta vs tors. theta energy: 5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1174.047846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.047846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.047846 (E_RNA)
where:
Base-Base interactions energy: -700.359
where: short stacking energy: -460.000
Base-Backbone interact. energy: -0.582
local terms energy: -473.106909
where:
bonds (distance) C4'-P energy: -81.931
bonds (distance) P-C4' energy: -89.209
flat angles C4'-P-C4' energy: -93.260
flat angles P-C4'-P energy: -72.684
tors. eta vs tors. theta energy: -136.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -981.046276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.046276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.046276 (E_RNA)
where:
Base-Base interactions energy: -569.085
where: short stacking energy: -356.175
Base-Backbone interact. energy: -3.200
local terms energy: -408.761111
where:
bonds (distance) C4'-P energy: -84.026
bonds (distance) P-C4' energy: -86.872
flat angles C4'-P-C4' energy: -98.150
flat angles P-C4'-P energy: -58.676
tors. eta vs tors. theta energy: -81.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -896.913905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.913905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.913905 (E_RNA)
where:
Base-Base interactions energy: -504.746
where: short stacking energy: -289.484
Base-Backbone interact. energy: -2.149
local terms energy: -390.019475
where:
bonds (distance) C4'-P energy: -80.869
bonds (distance) P-C4' energy: -81.035
flat angles C4'-P-C4' energy: -93.700
flat angles P-C4'-P energy: -60.417
tors. eta vs tors. theta energy: -73.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -864.277273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.277273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.277273 (E_RNA)
where:
Base-Base interactions energy: -483.119
where: short stacking energy: -319.227
Base-Backbone interact. energy: -0.705
local terms energy: -380.453346
where:
bonds (distance) C4'-P energy: -76.994
bonds (distance) P-C4' energy: -84.735
flat angles C4'-P-C4' energy: -85.102
flat angles P-C4'-P energy: -55.220
tors. eta vs tors. theta energy: -78.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -546.705192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.705192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.705192 (E_RNA)
where:
Base-Base interactions energy: -206.634
where: short stacking energy: -186.129
Base-Backbone interact. energy: -1.302
local terms energy: -338.768941
where:
bonds (distance) C4'-P energy: -85.812
bonds (distance) P-C4' energy: -85.002
flat angles C4'-P-C4' energy: -90.567
flat angles P-C4'-P energy: -58.570
tors. eta vs tors. theta energy: -18.817
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: 1
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -499.366424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.366424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.366424 (E_RNA)
where:
Base-Base interactions energy: -205.814
where: short stacking energy: -188.315
Base-Backbone interact. energy: 0.775
local terms energy: -294.327338
where:
bonds (distance) C4'-P energy: -72.065
bonds (distance) P-C4' energy: -89.447
flat angles C4'-P-C4' energy: -84.818
flat angles P-C4'-P energy: -31.199
tors. eta vs tors. theta energy: -16.798
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: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -439.853908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.853908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.853908 (E_RNA)
where:
Base-Base interactions energy: -143.406
where: short stacking energy: -136.847
Base-Backbone interact. energy: 2.524
local terms energy: -298.971993
where:
bonds (distance) C4'-P energy: -75.404
bonds (distance) P-C4' energy: -86.580
flat angles C4'-P-C4' energy: -71.746
flat angles P-C4'-P energy: -59.345
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: 8, replica: 5
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -418.101099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.101099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.101099 (E_RNA)
where:
Base-Base interactions energy: -145.733
where: short stacking energy: -131.456
Base-Backbone interact. energy: -0.375
local terms energy: -271.992976
where:
bonds (distance) C4'-P energy: -72.592
bonds (distance) P-C4' energy: -78.179
flat angles C4'-P-C4' energy: -68.216
flat angles P-C4'-P energy: -37.837
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -383.090408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.090408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.090408 (E_RNA)
where:
Base-Base interactions energy: -116.596
where: short stacking energy: -103.443
Base-Backbone interact. energy: 2.748
local terms energy: -269.242117
where:
bonds (distance) C4'-P energy: -86.443
bonds (distance) P-C4' energy: -92.818
flat angles C4'-P-C4' energy: -55.935
flat angles P-C4'-P energy: -29.727
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -350.408247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.408247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.408247 (E_RNA)
where:
Base-Base interactions energy: -112.362
where: short stacking energy: -100.730
Base-Backbone interact. energy: -1.509
local terms energy: -236.537943
where:
bonds (distance) C4'-P energy: -66.856
bonds (distance) P-C4' energy: -61.752
flat angles C4'-P-C4' energy: -71.777
flat angles P-C4'-P energy: -39.172
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: 1, replica: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1175.225499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.225499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.225499 (E_RNA)
where:
Base-Base interactions energy: -678.947
where: short stacking energy: -436.524
Base-Backbone interact. energy: -2.650
local terms energy: -493.629082
where:
bonds (distance) C4'-P energy: -92.723
bonds (distance) P-C4' energy: -98.276
flat angles C4'-P-C4' energy: -98.253
flat angles P-C4'-P energy: -77.207
tors. eta vs tors. theta energy: -127.170
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: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1000.780838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.780838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.780838 (E_RNA)
where:
Base-Base interactions energy: -591.446
where: short stacking energy: -333.645
Base-Backbone interact. energy: 0.988
local terms energy: -410.323255
where:
bonds (distance) C4'-P energy: -98.289
bonds (distance) P-C4' energy: -92.612
flat angles C4'-P-C4' energy: -83.110
flat angles P-C4'-P energy: -53.543
tors. eta vs tors. theta energy: -82.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -924.075477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.075477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.075477 (E_RNA)
where:
Base-Base interactions energy: -524.704
where: short stacking energy: -307.297
Base-Backbone interact. energy: -1.056
local terms energy: -398.314734
where:
bonds (distance) C4'-P energy: -82.542
bonds (distance) P-C4' energy: -95.961
flat angles C4'-P-C4' energy: -94.176
flat angles P-C4'-P energy: -56.033
tors. eta vs tors. theta energy: -69.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -834.382255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.382255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.382255 (E_RNA)
where:
Base-Base interactions energy: -456.790
where: short stacking energy: -283.472
Base-Backbone interact. energy: -0.599
local terms energy: -376.993324
where:
bonds (distance) C4'-P energy: -86.707
bonds (distance) P-C4' energy: -87.052
flat angles C4'-P-C4' energy: -86.587
flat angles P-C4'-P energy: -53.626
tors. eta vs tors. theta energy: -63.022
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: 8
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -605.263227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.263227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.263227 (E_RNA)
where:
Base-Base interactions energy: -264.448
where: short stacking energy: -171.239
Base-Backbone interact. energy: 0.490
local terms energy: -341.305904
where:
bonds (distance) C4'-P energy: -93.963
bonds (distance) P-C4' energy: -93.693
flat angles C4'-P-C4' energy: -86.630
flat angles P-C4'-P energy: -51.103
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -506.798232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.798232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.798232 (E_RNA)
where:
Base-Base interactions energy: -189.361
where: short stacking energy: -160.575
Base-Backbone interact. energy: -1.443
local terms energy: -315.993741
where:
bonds (distance) C4'-P energy: -71.578
bonds (distance) P-C4' energy: -95.189
flat angles C4'-P-C4' energy: -81.308
flat angles P-C4'-P energy: -36.806
tors. eta vs tors. theta energy: -31.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -453.229118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.229118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.229118 (E_RNA)
where:
Base-Base interactions energy: -167.555
where: short stacking energy: -149.812
Base-Backbone interact. energy: -1.682
local terms energy: -283.991574
where:
bonds (distance) C4'-P energy: -73.889
bonds (distance) P-C4' energy: -82.633
flat angles C4'-P-C4' energy: -69.346
flat angles P-C4'-P energy: -53.805
tors. eta vs tors. theta energy: -4.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -406.732574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.732574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.732574 (E_RNA)
where:
Base-Base interactions energy: -124.279
where: short stacking energy: -123.030
Base-Backbone interact. energy: 0.258
local terms energy: -282.711728
where:
bonds (distance) C4'-P energy: -79.765
bonds (distance) P-C4' energy: -72.145
flat angles C4'-P-C4' energy: -84.565
flat angles P-C4'-P energy: -33.525
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -414.665191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.665191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.665191 (E_RNA)
where:
Base-Base interactions energy: -150.327
where: short stacking energy: -128.855
Base-Backbone interact. energy: 0.228
local terms energy: -264.565852
where:
bonds (distance) C4'-P energy: -70.990
bonds (distance) P-C4' energy: -86.954
flat angles C4'-P-C4' energy: -66.185
flat angles P-C4'-P energy: -40.222
tors. eta vs tors. theta energy: -0.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -352.311629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.311629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.311629 (E_RNA)
where:
Base-Base interactions energy: -109.809
where: short stacking energy: -94.834
Base-Backbone interact. energy: 3.787
local terms energy: -246.289489
where:
bonds (distance) C4'-P energy: -84.041
bonds (distance) P-C4' energy: -77.288
flat angles C4'-P-C4' energy: -59.598
flat angles P-C4'-P energy: -43.476
tors. eta vs tors. theta energy: 18.114
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: 1, replica: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1122.390691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.390691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.390691 (E_RNA)
where:
Base-Base interactions energy: -665.843
where: short stacking energy: -395.265
Base-Backbone interact. energy: -3.144
local terms energy: -453.403371
where:
bonds (distance) C4'-P energy: -93.202
bonds (distance) P-C4' energy: -93.451
flat angles C4'-P-C4' energy: -105.758
flat angles P-C4'-P energy: -58.387
tors. eta vs tors. theta energy: -102.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1016.948485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.948485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.948485 (E_RNA)
where:
Base-Base interactions energy: -567.451
where: short stacking energy: -356.571
Base-Backbone interact. energy: 3.667
local terms energy: -453.164318
where:
bonds (distance) C4'-P energy: -97.698
bonds (distance) P-C4' energy: -99.073
flat angles C4'-P-C4' energy: -89.113
flat angles P-C4'-P energy: -67.895
tors. eta vs tors. theta energy: -99.384
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: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -934.362462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.362462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.362462 (E_RNA)
where:
Base-Base interactions energy: -527.043
where: short stacking energy: -318.561
Base-Backbone interact. energy: 2.749
local terms energy: -410.068227
where:
bonds (distance) C4'-P energy: -90.711
bonds (distance) P-C4' energy: -74.438
flat angles C4'-P-C4' energy: -100.756
flat angles P-C4'-P energy: -66.548
tors. eta vs tors. theta energy: -77.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -843.854224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.854224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.854224 (E_RNA)
where:
Base-Base interactions energy: -469.800
where: short stacking energy: -267.347
Base-Backbone interact. energy: -0.267
local terms energy: -373.787216
where:
bonds (distance) C4'-P energy: -73.024
bonds (distance) P-C4' energy: -100.125
flat angles C4'-P-C4' energy: -92.878
flat angles P-C4'-P energy: -54.264
tors. eta vs tors. theta energy: -53.496
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: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -598.480115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.480115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.480115 (E_RNA)
where:
Base-Base interactions energy: -256.676
where: short stacking energy: -190.614
Base-Backbone interact. energy: -1.704
local terms energy: -340.099676
where:
bonds (distance) C4'-P energy: -89.448
bonds (distance) P-C4' energy: -82.032
flat angles C4'-P-C4' energy: -89.297
flat angles P-C4'-P energy: -46.094
tors. eta vs tors. theta energy: -33.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -470.126711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.126711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.126711 (E_RNA)
where:
Base-Base interactions energy: -170.912
where: short stacking energy: -158.991
Base-Backbone interact. energy: -1.251
local terms energy: -297.963809
where:
bonds (distance) C4'-P energy: -81.455
bonds (distance) P-C4' energy: -92.424
flat angles C4'-P-C4' energy: -71.301
flat angles P-C4'-P energy: -44.749
tors. eta vs tors. theta energy: -8.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -446.327791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.327791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.327791 (E_RNA)
where:
Base-Base interactions energy: -165.462
where: short stacking energy: -156.731
Base-Backbone interact. energy: 1.107
local terms energy: -281.972163
where:
bonds (distance) C4'-P energy: -81.011
bonds (distance) P-C4' energy: -75.417
flat angles C4'-P-C4' energy: -76.063
flat angles P-C4'-P energy: -39.556
tors. eta vs tors. theta energy: -9.926
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: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -449.463691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.463691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.463691 (E_RNA)
where:
Base-Base interactions energy: -159.939
where: short stacking energy: -145.198
Base-Backbone interact. energy: -2.023
local terms energy: -287.501557
where:
bonds (distance) C4'-P energy: -85.095
bonds (distance) P-C4' energy: -76.100
flat angles C4'-P-C4' energy: -74.157
flat angles P-C4'-P energy: -44.888
tors. eta vs tors. theta energy: -7.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -407.506241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.506241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.506241 (E_RNA)
where:
Base-Base interactions energy: -129.390
where: short stacking energy: -125.219
Base-Backbone interact. energy: -0.382
local terms energy: -277.733853
where:
bonds (distance) C4'-P energy: -78.158
bonds (distance) P-C4' energy: -81.872
flat angles C4'-P-C4' energy: -74.714
flat angles P-C4'-P energy: -38.689
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -363.249361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.249361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.249361 (E_RNA)
where:
Base-Base interactions energy: -103.394
where: short stacking energy: -80.611
Base-Backbone interact. energy: 1.630
local terms energy: -261.485081
where:
bonds (distance) C4'-P energy: -79.952
bonds (distance) P-C4' energy: -79.627
flat angles C4'-P-C4' energy: -71.276
flat angles P-C4'-P energy: -43.338
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: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1150.811234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.811234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.811234 (E_RNA)
where:
Base-Base interactions energy: -683.273
where: short stacking energy: -435.041
Base-Backbone interact. energy: -0.675
local terms energy: -466.862438
where:
bonds (distance) C4'-P energy: -81.341
bonds (distance) P-C4' energy: -85.686
flat angles C4'-P-C4' energy: -102.082
flat angles P-C4'-P energy: -70.536
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: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1021.338924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.338924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.338924 (E_RNA)
where:
Base-Base interactions energy: -580.565
where: short stacking energy: -336.138
Base-Backbone interact. energy: 0.791
local terms energy: -441.564727
where:
bonds (distance) C4'-P energy: -90.284
bonds (distance) P-C4' energy: -96.613
flat angles C4'-P-C4' energy: -96.786
flat angles P-C4'-P energy: -64.816
tors. eta vs tors. theta energy: -93.066
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: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -909.340846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.340846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.340846 (E_RNA)
where:
Base-Base interactions energy: -514.571
where: short stacking energy: -284.922
Base-Backbone interact. energy: -1.394
local terms energy: -393.375846
where:
bonds (distance) C4'-P energy: -82.334
bonds (distance) P-C4' energy: -93.332
flat angles C4'-P-C4' energy: -83.961
flat angles P-C4'-P energy: -65.846
tors. eta vs tors. theta energy: -67.903
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: 59
Temperature: 1.050000
Total energy: -826.748458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.748458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.748458 (E_RNA)
where:
Base-Base interactions energy: -450.169
where: short stacking energy: -264.922
Base-Backbone interact. energy: 4.916
local terms energy: -381.495700
where:
bonds (distance) C4'-P energy: -85.210
bonds (distance) P-C4' energy: -100.873
flat angles C4'-P-C4' energy: -84.508
flat angles P-C4'-P energy: -50.676
tors. eta vs tors. theta energy: -60.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -570.449241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.449241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.449241 (E_RNA)
where:
Base-Base interactions energy: -251.032
where: short stacking energy: -193.219
Base-Backbone interact. energy: 1.138
local terms energy: -320.554660
where:
bonds (distance) C4'-P energy: -68.091
bonds (distance) P-C4' energy: -91.671
flat angles C4'-P-C4' energy: -74.432
flat angles P-C4'-P energy: -59.431
tors. eta vs tors. theta energy: -26.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -488.583719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.583719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.583719 (E_RNA)
where:
Base-Base interactions energy: -190.008
where: short stacking energy: -164.503
Base-Backbone interact. energy: 3.145
local terms energy: -301.720998
where:
bonds (distance) C4'-P energy: -77.903
bonds (distance) P-C4' energy: -88.064
flat angles C4'-P-C4' energy: -70.530
flat angles P-C4'-P energy: -46.051
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -452.538804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.538804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.538804 (E_RNA)
where:
Base-Base interactions energy: -137.487
where: short stacking energy: -128.179
Base-Backbone interact. energy: 0.237
local terms energy: -315.288519
where:
bonds (distance) C4'-P energy: -84.981
bonds (distance) P-C4' energy: -99.935
flat angles C4'-P-C4' energy: -77.121
flat angles P-C4'-P energy: -45.011
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -415.404356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.404356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.404356 (E_RNA)
where:
Base-Base interactions energy: -133.758
where: short stacking energy: -121.703
Base-Backbone interact. energy: 2.752
local terms energy: -284.398093
where:
bonds (distance) C4'-P energy: -74.316
bonds (distance) P-C4' energy: -92.718
flat angles C4'-P-C4' energy: -70.067
flat angles P-C4'-P energy: -34.963
tors. eta vs tors. theta energy: -12.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -380.017554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.017554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.017554 (E_RNA)
where:
Base-Base interactions energy: -127.959
where: short stacking energy: -106.046
Base-Backbone interact. energy: -0.986
local terms energy: -251.072692
where:
bonds (distance) C4'-P energy: -76.827
bonds (distance) P-C4' energy: -80.514
flat angles C4'-P-C4' energy: -72.433
flat angles P-C4'-P energy: -42.679
tors. eta vs tors. theta energy: 21.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -365.383356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.383356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.383356 (E_RNA)
where:
Base-Base interactions energy: -115.497
where: short stacking energy: -90.370
Base-Backbone interact. energy: 8.665
local terms energy: -258.551432
where:
bonds (distance) C4'-P energy: -78.731
bonds (distance) P-C4' energy: -84.462
flat angles C4'-P-C4' energy: -71.347
flat angles P-C4'-P energy: -24.073
tors. eta vs tors. theta energy: 0.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1149.359829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.359829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.359829 (E_RNA)
where:
Base-Base interactions energy: -683.782
where: short stacking energy: -410.247
Base-Backbone interact. energy: -1.590
local terms energy: -463.987556
where:
bonds (distance) C4'-P energy: -90.761
bonds (distance) P-C4' energy: -89.056
flat angles C4'-P-C4' energy: -96.586
flat angles P-C4'-P energy: -74.618
tors. eta vs tors. theta energy: -112.967
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: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -988.965438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.965438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.965438 (E_RNA)
where:
Base-Base interactions energy: -559.919
where: short stacking energy: -340.230
Base-Backbone interact. energy: -0.306
local terms energy: -428.740390
where:
bonds (distance) C4'-P energy: -92.688
bonds (distance) P-C4' energy: -90.546
flat angles C4'-P-C4' energy: -97.105
flat angles P-C4'-P energy: -59.973
tors. eta vs tors. theta energy: -88.428
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: 60
Temperature: 1.000000
Total energy: -931.987150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.987150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.987150 (E_RNA)
where:
Base-Base interactions energy: -513.294
where: short stacking energy: -305.156
Base-Backbone interact. energy: 0.186
local terms energy: -418.879219
where:
bonds (distance) C4'-P energy: -89.481
bonds (distance) P-C4' energy: -104.936
flat angles C4'-P-C4' energy: -87.815
flat angles P-C4'-P energy: -58.741
tors. eta vs tors. theta energy: -77.906
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: 60
Temperature: 1.050000
Total energy: -855.345714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.345714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.345714 (E_RNA)
where:
Base-Base interactions energy: -473.421
where: short stacking energy: -296.864
Base-Backbone interact. energy: 0.834
local terms energy: -382.757991
where:
bonds (distance) C4'-P energy: -82.676
bonds (distance) P-C4' energy: -96.302
flat angles C4'-P-C4' energy: -82.918
flat angles P-C4'-P energy: -55.398
tors. eta vs tors. theta energy: -65.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -572.100986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.100986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.100986 (E_RNA)
where:
Base-Base interactions energy: -233.371
where: short stacking energy: -182.436
Base-Backbone interact. energy: -0.461
local terms energy: -338.269046
where:
bonds (distance) C4'-P energy: -92.663
bonds (distance) P-C4' energy: -88.149
flat angles C4'-P-C4' energy: -73.538
flat angles P-C4'-P energy: -51.180
tors. eta vs tors. theta energy: -32.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -560.084713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.084713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.084713 (E_RNA)
where:
Base-Base interactions energy: -253.815
where: short stacking energy: -192.909
Base-Backbone interact. energy: 1.095
local terms energy: -307.365343
where:
bonds (distance) C4'-P energy: -83.346
bonds (distance) P-C4' energy: -89.553
flat angles C4'-P-C4' energy: -75.409
flat angles P-C4'-P energy: -37.518
tors. eta vs tors. theta energy: -21.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -434.418345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.418345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.418345 (E_RNA)
where:
Base-Base interactions energy: -150.172
where: short stacking energy: -103.151
Base-Backbone interact. energy: -1.070
local terms energy: -283.176245
where:
bonds (distance) C4'-P energy: -85.722
bonds (distance) P-C4' energy: -74.554
flat angles C4'-P-C4' energy: -77.009
flat angles P-C4'-P energy: -51.037
tors. eta vs tors. theta energy: 5.145
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: 8, replica: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -420.034397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.034397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.034397 (E_RNA)
where:
Base-Base interactions energy: -145.446
where: short stacking energy: -124.056
Base-Backbone interact. energy: -1.506
local terms energy: -273.082522
where:
bonds (distance) C4'-P energy: -80.346
bonds (distance) P-C4' energy: -85.030
flat angles C4'-P-C4' energy: -68.404
flat angles P-C4'-P energy: -33.485
tors. eta vs tors. theta energy: -5.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -383.554393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.554393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.554393 (E_RNA)
where:
Base-Base interactions energy: -127.933
where: short stacking energy: -114.294
Base-Backbone interact. energy: -0.500
local terms energy: -255.121234
where:
bonds (distance) C4'-P energy: -75.770
bonds (distance) P-C4' energy: -84.085
flat angles C4'-P-C4' energy: -78.786
flat angles P-C4'-P energy: -34.534
tors. eta vs tors. theta energy: 18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -372.303552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.303552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.303552 (E_RNA)
where:
Base-Base interactions energy: -92.893
where: short stacking energy: -84.474
Base-Backbone interact. energy: 1.516
local terms energy: -280.926213
where:
bonds (distance) C4'-P energy: -74.941
bonds (distance) P-C4' energy: -77.985
flat angles C4'-P-C4' energy: -70.436
flat angles P-C4'-P energy: -50.528
tors. eta vs tors. theta energy: -7.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1184.126025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.126025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.126025 (E_RNA)
where:
Base-Base interactions energy: -701.123
where: short stacking energy: -402.661
Base-Backbone interact. energy: -0.539
local terms energy: -482.464204
where:
bonds (distance) C4'-P energy: -91.470
bonds (distance) P-C4' energy: -103.363
flat angles C4'-P-C4' energy: -105.259
flat angles P-C4'-P energy: -66.082
tors. eta vs tors. theta energy: -116.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1029.684552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.684552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.684552 (E_RNA)
where:
Base-Base interactions energy: -608.312
where: short stacking energy: -357.863
Base-Backbone interact. energy: -2.290
local terms energy: -419.082601
where:
bonds (distance) C4'-P energy: -87.335
bonds (distance) P-C4' energy: -91.299
flat angles C4'-P-C4' energy: -93.685
flat angles P-C4'-P energy: -56.174
tors. eta vs tors. theta energy: -90.591
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: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -914.525520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.525520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.525520 (E_RNA)
where:
Base-Base interactions energy: -516.053
where: short stacking energy: -322.173
Base-Backbone interact. energy: 0.357
local terms energy: -398.829301
where:
bonds (distance) C4'-P energy: -73.331
bonds (distance) P-C4' energy: -88.465
flat angles C4'-P-C4' energy: -92.514
flat angles P-C4'-P energy: -57.117
tors. eta vs tors. theta energy: -87.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -863.206003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.206003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.206003 (E_RNA)
where:
Base-Base interactions energy: -481.836
where: short stacking energy: -246.715
Base-Backbone interact. energy: -1.556
local terms energy: -379.814240
where:
bonds (distance) C4'-P energy: -92.006
bonds (distance) P-C4' energy: -83.276
flat angles C4'-P-C4' energy: -86.160
flat angles P-C4'-P energy: -57.074
tors. eta vs tors. theta energy: -61.299
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: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -651.576836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.576836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.576836 (E_RNA)
where:
Base-Base interactions energy: -293.962
where: short stacking energy: -216.407
Base-Backbone interact. energy: -1.370
local terms energy: -356.244658
where:
bonds (distance) C4'-P energy: -78.177
bonds (distance) P-C4' energy: -94.824
flat angles C4'-P-C4' energy: -75.797
flat angles P-C4'-P energy: -67.164
tors. eta vs tors. theta energy: -40.283
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: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -554.868721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.868721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.868721 (E_RNA)
where:
Base-Base interactions energy: -241.161
where: short stacking energy: -186.071
Base-Backbone interact. energy: -1.098
local terms energy: -312.609341
where:
bonds (distance) C4'-P energy: -80.019
bonds (distance) P-C4' energy: -84.505
flat angles C4'-P-C4' energy: -90.192
flat angles P-C4'-P energy: -39.603
tors. eta vs tors. theta energy: -18.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -433.654144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.654144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.654144 (E_RNA)
where:
Base-Base interactions energy: -154.127
where: short stacking energy: -139.733
Base-Backbone interact. energy: -0.028
local terms energy: -279.498853
where:
bonds (distance) C4'-P energy: -74.473
bonds (distance) P-C4' energy: -84.159
flat angles C4'-P-C4' energy: -71.180
flat angles P-C4'-P energy: -39.758
tors. eta vs tors. theta energy: -9.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -430.883039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.883039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.883039 (E_RNA)
where:
Base-Base interactions energy: -151.216
where: short stacking energy: -133.796
Base-Backbone interact. energy: 0.590
local terms energy: -280.256400
where:
bonds (distance) C4'-P energy: -76.041
bonds (distance) P-C4' energy: -85.683
flat angles C4'-P-C4' energy: -70.117
flat angles P-C4'-P energy: -48.929
tors. eta vs tors. theta energy: 0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -370.711464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.711464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.711464 (E_RNA)
where:
Base-Base interactions energy: -102.037
where: short stacking energy: -86.246
Base-Backbone interact. energy: -0.526
local terms energy: -268.147985
where:
bonds (distance) C4'-P energy: -81.313
bonds (distance) P-C4' energy: -95.000
flat angles C4'-P-C4' energy: -55.424
flat angles P-C4'-P energy: -38.902
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: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -351.440252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.440252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.440252 (E_RNA)
where:
Base-Base interactions energy: -113.949
where: short stacking energy: -92.334
Base-Backbone interact. energy: -2.626
local terms energy: -234.864935
where:
bonds (distance) C4'-P energy: -60.831
bonds (distance) P-C4' energy: -77.536
flat angles C4'-P-C4' energy: -62.488
flat angles P-C4'-P energy: -38.886
tors. eta vs tors. theta energy: 4.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1081.841713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.841713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.841713 (E_RNA)
where:
Base-Base interactions energy: -616.324
where: short stacking energy: -361.619
Base-Backbone interact. energy: -1.843
local terms energy: -463.674587
where:
bonds (distance) C4'-P energy: -95.044
bonds (distance) P-C4' energy: -103.988
flat angles C4'-P-C4' energy: -99.158
flat angles P-C4'-P energy: -62.222
tors. eta vs tors. theta energy: -103.262
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: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1065.806368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.806368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.806368 (E_RNA)
where:
Base-Base interactions energy: -618.029
where: short stacking energy: -392.079
Base-Backbone interact. energy: -1.312
local terms energy: -446.465931
where:
bonds (distance) C4'-P energy: -87.379
bonds (distance) P-C4' energy: -89.737
flat angles C4'-P-C4' energy: -103.980
flat angles P-C4'-P energy: -56.755
tors. eta vs tors. theta energy: -108.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -886.958568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.958568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.958568 (E_RNA)
where:
Base-Base interactions energy: -508.673
where: short stacking energy: -266.470
Base-Backbone interact. energy: -1.761
local terms energy: -376.524647
where:
bonds (distance) C4'-P energy: -95.876
bonds (distance) P-C4' energy: -85.813
flat angles C4'-P-C4' energy: -83.433
flat angles P-C4'-P energy: -50.385
tors. eta vs tors. theta energy: -61.018
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: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -872.812118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.812118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.812118 (E_RNA)
where:
Base-Base interactions energy: -496.967
where: short stacking energy: -276.548
Base-Backbone interact. energy: -4.575
local terms energy: -371.270181
where:
bonds (distance) C4'-P energy: -89.985
bonds (distance) P-C4' energy: -84.341
flat angles C4'-P-C4' energy: -84.756
flat angles P-C4'-P energy: -43.161
tors. eta vs tors. theta energy: -69.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -595.840799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.840799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.840799 (E_RNA)
where:
Base-Base interactions energy: -254.517
where: short stacking energy: -196.791
Base-Backbone interact. energy: -2.852
local terms energy: -338.471383
where:
bonds (distance) C4'-P energy: -80.116
bonds (distance) P-C4' energy: -94.131
flat angles C4'-P-C4' energy: -85.642
flat angles P-C4'-P energy: -47.375
tors. eta vs tors. theta energy: -31.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -533.030464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.030464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.030464 (E_RNA)
where:
Base-Base interactions energy: -242.289
where: short stacking energy: -194.063
Base-Backbone interact. energy: 1.260
local terms energy: -292.001298
where:
bonds (distance) C4'-P energy: -61.558
bonds (distance) P-C4' energy: -81.530
flat angles C4'-P-C4' energy: -81.388
flat angles P-C4'-P energy: -52.203
tors. eta vs tors. theta energy: -15.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -439.405939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.405939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.405939 (E_RNA)
where:
Base-Base interactions energy: -158.092
where: short stacking energy: -129.979
Base-Backbone interact. energy: -1.111
local terms energy: -280.202615
where:
bonds (distance) C4'-P energy: -86.230
bonds (distance) P-C4' energy: -83.635
flat angles C4'-P-C4' energy: -67.957
flat angles P-C4'-P energy: -47.396
tors. eta vs tors. theta energy: 5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -427.761680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.761680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.761680 (E_RNA)
where:
Base-Base interactions energy: -145.065
where: short stacking energy: -118.653
Base-Backbone interact. energy: -0.498
local terms energy: -282.198629
where:
bonds (distance) C4'-P energy: -51.741
bonds (distance) P-C4' energy: -99.624
flat angles C4'-P-C4' energy: -75.026
flat angles P-C4'-P energy: -52.298
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -358.421146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.421146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.421146 (E_RNA)
where:
Base-Base interactions energy: -111.997
where: short stacking energy: -96.498
Base-Backbone interact. energy: -1.436
local terms energy: -244.987803
where:
bonds (distance) C4'-P energy: -78.633
bonds (distance) P-C4' energy: -68.034
flat angles C4'-P-C4' energy: -78.147
flat angles P-C4'-P energy: -45.803
tors. eta vs tors. theta energy: 25.628
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: 62
Temperature: 1.350000
Total energy: -347.629536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.629536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.629536 (E_RNA)
where:
Base-Base interactions energy: -96.617
where: short stacking energy: -87.045
Base-Backbone interact. energy: 2.500
local terms energy: -253.511730
where:
bonds (distance) C4'-P energy: -71.538
bonds (distance) P-C4' energy: -83.928
flat angles C4'-P-C4' energy: -69.838
flat angles P-C4'-P energy: -39.072
tors. eta vs tors. theta energy: 10.865
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: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1092.562879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.562879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.562879 (E_RNA)
where:
Base-Base interactions energy: -625.670
where: short stacking energy: -380.187
Base-Backbone interact. energy: -1.469
local terms energy: -465.423336
where:
bonds (distance) C4'-P energy: -87.606
bonds (distance) P-C4' energy: -93.897
flat angles C4'-P-C4' energy: -102.446
flat angles P-C4'-P energy: -68.809
tors. eta vs tors. theta energy: -112.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1060.215590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.215590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.215590 (E_RNA)
where:
Base-Base interactions energy: -609.114
where: short stacking energy: -369.849
Base-Backbone interact. energy: -3.670
local terms energy: -447.431846
where:
bonds (distance) C4'-P energy: -89.656
bonds (distance) P-C4' energy: -88.645
flat angles C4'-P-C4' energy: -100.292
flat angles P-C4'-P energy: -59.150
tors. eta vs tors. theta energy: -109.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -918.457620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.457620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.457620 (E_RNA)
where:
Base-Base interactions energy: -510.388
where: short stacking energy: -284.748
Base-Backbone interact. energy: 2.926
local terms energy: -410.996000
where:
bonds (distance) C4'-P energy: -96.706
bonds (distance) P-C4' energy: -94.208
flat angles C4'-P-C4' energy: -88.783
flat angles P-C4'-P energy: -64.249
tors. eta vs tors. theta energy: -67.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -820.544375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.544375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.544375 (E_RNA)
where:
Base-Base interactions energy: -444.433
where: short stacking energy: -266.494
Base-Backbone interact. energy: 0.448
local terms energy: -376.559373
where:
bonds (distance) C4'-P energy: -75.367
bonds (distance) P-C4' energy: -81.552
flat angles C4'-P-C4' energy: -87.396
flat angles P-C4'-P energy: -59.760
tors. eta vs tors. theta energy: -72.484
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: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -598.883933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.883933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.883933 (E_RNA)
where:
Base-Base interactions energy: -267.650
where: short stacking energy: -187.935
Base-Backbone interact. energy: -1.165
local terms energy: -330.068759
where:
bonds (distance) C4'-P energy: -92.661
bonds (distance) P-C4' energy: -84.986
flat angles C4'-P-C4' energy: -78.683
flat angles P-C4'-P energy: -60.797
tors. eta vs tors. theta energy: -12.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -542.547507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.547507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.547507 (E_RNA)
where:
Base-Base interactions energy: -224.731
where: short stacking energy: -166.210
Base-Backbone interact. energy: -1.500
local terms energy: -316.316116
where:
bonds (distance) C4'-P energy: -79.841
bonds (distance) P-C4' energy: -83.404
flat angles C4'-P-C4' energy: -77.559
flat angles P-C4'-P energy: -54.987
tors. eta vs tors. theta energy: -20.526
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: 7, replica: 5
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -483.185377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.185377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.185377 (E_RNA)
where:
Base-Base interactions energy: -201.681
where: short stacking energy: -156.170
Base-Backbone interact. energy: -0.678
local terms energy: -280.826811
where:
bonds (distance) C4'-P energy: -80.071
bonds (distance) P-C4' energy: -82.945
flat angles C4'-P-C4' energy: -64.056
flat angles P-C4'-P energy: -46.890
tors. eta vs tors. theta energy: -6.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -393.622011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.622011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.622011 (E_RNA)
where:
Base-Base interactions energy: -139.585
where: short stacking energy: -135.313
Base-Backbone interact. energy: 1.038
local terms energy: -255.074737
where:
bonds (distance) C4'-P energy: -80.452
bonds (distance) P-C4' energy: -68.783
flat angles C4'-P-C4' energy: -61.348
flat angles P-C4'-P energy: -38.219
tors. eta vs tors. theta energy: -6.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -362.347338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.347338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.347338 (E_RNA)
where:
Base-Base interactions energy: -109.946
where: short stacking energy: -95.625
Base-Backbone interact. energy: -1.146
local terms energy: -251.254643
where:
bonds (distance) C4'-P energy: -73.437
bonds (distance) P-C4' energy: -84.818
flat angles C4'-P-C4' energy: -65.816
flat angles P-C4'-P energy: -43.007
tors. eta vs tors. theta energy: 15.823
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: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -347.440015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.440015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.440015 (E_RNA)
where:
Base-Base interactions energy: -112.911
where: short stacking energy: -96.132
Base-Backbone interact. energy: 0.174
local terms energy: -234.703388
where:
bonds (distance) C4'-P energy: -72.928
bonds (distance) P-C4' energy: -71.744
flat angles C4'-P-C4' energy: -74.791
flat angles P-C4'-P energy: -38.407
tors. eta vs tors. theta energy: 23.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1069.807864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.807864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.807864 (E_RNA)
where:
Base-Base interactions energy: -630.176
where: short stacking energy: -380.837
Base-Backbone interact. energy: -0.955
local terms energy: -438.676946
where:
bonds (distance) C4'-P energy: -99.248
bonds (distance) P-C4' energy: -89.297
flat angles C4'-P-C4' energy: -96.013
flat angles P-C4'-P energy: -52.572
tors. eta vs tors. theta energy: -101.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1051.173170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.173170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.173170 (E_RNA)
where:
Base-Base interactions energy: -607.475
where: short stacking energy: -375.124
Base-Backbone interact. energy: 0.902
local terms energy: -444.600935
where:
bonds (distance) C4'-P energy: -88.204
bonds (distance) P-C4' energy: -90.421
flat angles C4'-P-C4' energy: -100.571
flat angles P-C4'-P energy: -62.206
tors. eta vs tors. theta energy: -103.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -865.912811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.912811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.912811 (E_RNA)
where:
Base-Base interactions energy: -490.365
where: short stacking energy: -277.075
Base-Backbone interact. energy: 0.303
local terms energy: -375.850465
where:
bonds (distance) C4'-P energy: -82.552
bonds (distance) P-C4' energy: -79.367
flat angles C4'-P-C4' energy: -104.207
flat angles P-C4'-P energy: -50.543
tors. eta vs tors. theta energy: -59.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -816.945542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.945542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.945542 (E_RNA)
where:
Base-Base interactions energy: -452.572
where: short stacking energy: -279.510
Base-Backbone interact. energy: -1.740
local terms energy: -362.633536
where:
bonds (distance) C4'-P energy: -77.230
bonds (distance) P-C4' energy: -91.959
flat angles C4'-P-C4' energy: -74.504
flat angles P-C4'-P energy: -50.639
tors. eta vs tors. theta energy: -68.302
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: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -565.302365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.302365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.302365 (E_RNA)
where:
Base-Base interactions energy: -222.832
where: short stacking energy: -186.667
Base-Backbone interact. energy: -1.798
local terms energy: -340.672943
where:
bonds (distance) C4'-P energy: -89.782
bonds (distance) P-C4' energy: -87.601
flat angles C4'-P-C4' energy: -83.722
flat angles P-C4'-P energy: -55.392
tors. eta vs tors. theta energy: -24.176
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: 6, replica: 8
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -552.436060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.436060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.436060 (E_RNA)
where:
Base-Base interactions energy: -233.405
where: short stacking energy: -170.482
Base-Backbone interact. energy: -1.135
local terms energy: -317.896088
where:
bonds (distance) C4'-P energy: -76.417
bonds (distance) P-C4' energy: -90.370
flat angles C4'-P-C4' energy: -76.116
flat angles P-C4'-P energy: -47.420
tors. eta vs tors. theta energy: -27.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -464.053719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.053719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.053719 (E_RNA)
where:
Base-Base interactions energy: -136.044
where: short stacking energy: -132.114
Base-Backbone interact. energy: 0.603
local terms energy: -328.612677
where:
bonds (distance) C4'-P energy: -81.904
bonds (distance) P-C4' energy: -85.921
flat angles C4'-P-C4' energy: -92.890
flat angles P-C4'-P energy: -57.496
tors. eta vs tors. theta energy: -10.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -427.589174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.589174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.589174 (E_RNA)
where:
Base-Base interactions energy: -154.984
where: short stacking energy: -130.130
Base-Backbone interact. energy: -0.327
local terms energy: -272.277869
where:
bonds (distance) C4'-P energy: -85.024
bonds (distance) P-C4' energy: -86.815
flat angles C4'-P-C4' energy: -64.381
flat angles P-C4'-P energy: -29.902
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -373.477797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.477797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.477797 (E_RNA)
where:
Base-Base interactions energy: -127.348
where: short stacking energy: -109.206
Base-Backbone interact. energy: 2.394
local terms energy: -248.523207
where:
bonds (distance) C4'-P energy: -81.310
bonds (distance) P-C4' energy: -71.995
flat angles C4'-P-C4' energy: -69.574
flat angles P-C4'-P energy: -35.846
tors. eta vs tors. theta energy: 10.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -360.312120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.312120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.312120 (E_RNA)
where:
Base-Base interactions energy: -112.024
where: short stacking energy: -106.826
Base-Backbone interact. energy: 3.717
local terms energy: -252.005096
where:
bonds (distance) C4'-P energy: -70.705
bonds (distance) P-C4' energy: -69.807
flat angles C4'-P-C4' energy: -73.884
flat angles P-C4'-P energy: -44.913
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: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1100.179200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.179200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.179200 (E_RNA)
where:
Base-Base interactions energy: -664.328
where: short stacking energy: -377.031
Base-Backbone interact. energy: 0.360
local terms energy: -436.211354
where:
bonds (distance) C4'-P energy: -86.580
bonds (distance) P-C4' energy: -96.660
flat angles C4'-P-C4' energy: -94.576
flat angles P-C4'-P energy: -63.892
tors. eta vs tors. theta energy: -94.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1050.284954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.284954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.284954 (E_RNA)
where:
Base-Base interactions energy: -607.729
where: short stacking energy: -373.581
Base-Backbone interact. energy: -0.008
local terms energy: -442.548494
where:
bonds (distance) C4'-P energy: -87.140
bonds (distance) P-C4' energy: -97.367
flat angles C4'-P-C4' energy: -91.424
flat angles P-C4'-P energy: -69.028
tors. eta vs tors. theta energy: -97.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -873.140308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.140308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.140308 (E_RNA)
where:
Base-Base interactions energy: -468.300
where: short stacking energy: -298.736
Base-Backbone interact. energy: 0.378
local terms energy: -405.217507
where:
bonds (distance) C4'-P energy: -90.720
bonds (distance) P-C4' energy: -90.284
flat angles C4'-P-C4' energy: -92.579
flat angles P-C4'-P energy: -53.274
tors. eta vs tors. theta energy: -78.361
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: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -856.596327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.596327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.596327 (E_RNA)
where:
Base-Base interactions energy: -491.000
where: short stacking energy: -284.012
Base-Backbone interact. energy: -1.336
local terms energy: -364.259775
where:
bonds (distance) C4'-P energy: -82.329
bonds (distance) P-C4' energy: -81.769
flat angles C4'-P-C4' energy: -90.174
flat angles P-C4'-P energy: -57.504
tors. eta vs tors. theta energy: -52.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -598.586964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.586964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.586964 (E_RNA)
where:
Base-Base interactions energy: -249.709
where: short stacking energy: -227.015
Base-Backbone interact. energy: -0.182
local terms energy: -348.696458
where:
bonds (distance) C4'-P energy: -84.328
bonds (distance) P-C4' energy: -74.296
flat angles C4'-P-C4' energy: -95.442
flat angles P-C4'-P energy: -49.400
tors. eta vs tors. theta energy: -45.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -542.993859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.993859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.993859 (E_RNA)
where:
Base-Base interactions energy: -224.875
where: short stacking energy: -148.067
Base-Backbone interact. energy: 1.150
local terms energy: -319.269005
where:
bonds (distance) C4'-P energy: -79.523
bonds (distance) P-C4' energy: -90.247
flat angles C4'-P-C4' energy: -85.279
flat angles P-C4'-P energy: -47.230
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -433.398554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.398554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.398554 (E_RNA)
where:
Base-Base interactions energy: -158.668
where: short stacking energy: -136.564
Base-Backbone interact. energy: 3.001
local terms energy: -277.731649
where:
bonds (distance) C4'-P energy: -79.308
bonds (distance) P-C4' energy: -83.048
flat angles C4'-P-C4' energy: -70.791
flat angles P-C4'-P energy: -37.471
tors. eta vs tors. theta energy: -7.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -408.884599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.884599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.884599 (E_RNA)
where:
Base-Base interactions energy: -141.673
where: short stacking energy: -127.978
Base-Backbone interact. energy: -1.039
local terms energy: -266.171712
where:
bonds (distance) C4'-P energy: -62.188
bonds (distance) P-C4' energy: -84.287
flat angles C4'-P-C4' energy: -67.666
flat angles P-C4'-P energy: -40.275
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: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -409.362850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.362850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.362850 (E_RNA)
where:
Base-Base interactions energy: -131.550
where: short stacking energy: -123.199
Base-Backbone interact. energy: -0.738
local terms energy: -277.075276
where:
bonds (distance) C4'-P energy: -81.775
bonds (distance) P-C4' energy: -94.781
flat angles C4'-P-C4' energy: -67.436
flat angles P-C4'-P energy: -31.473
tors. eta vs tors. theta energy: -1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -362.835587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.835587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.835587 (E_RNA)
where:
Base-Base interactions energy: -115.424
where: short stacking energy: -102.746
Base-Backbone interact. energy: -0.596
local terms energy: -246.814757
where:
bonds (distance) C4'-P energy: -80.140
bonds (distance) P-C4' energy: -89.542
flat angles C4'-P-C4' energy: -67.813
flat angles P-C4'-P energy: -24.226
tors. eta vs tors. theta energy: 14.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1102.807471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.807471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.807471 (E_RNA)
where:
Base-Base interactions energy: -645.728
where: short stacking energy: -369.083
Base-Backbone interact. energy: -3.413
local terms energy: -453.666715
where:
bonds (distance) C4'-P energy: -79.009
bonds (distance) P-C4' energy: -99.764
flat angles C4'-P-C4' energy: -110.819
flat angles P-C4'-P energy: -64.430
tors. eta vs tors. theta energy: -99.645
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: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1073.411830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.411830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.411830 (E_RNA)
where:
Base-Base interactions energy: -618.365
where: short stacking energy: -380.771
Base-Backbone interact. energy: -0.325
local terms energy: -454.721311
where:
bonds (distance) C4'-P energy: -77.579
bonds (distance) P-C4' energy: -105.948
flat angles C4'-P-C4' energy: -102.663
flat angles P-C4'-P energy: -65.253
tors. eta vs tors. theta energy: -103.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -874.710976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.710976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.710976 (E_RNA)
where:
Base-Base interactions energy: -488.278
where: short stacking energy: -288.945
Base-Backbone interact. energy: -0.837
local terms energy: -385.596118
where:
bonds (distance) C4'-P energy: -91.083
bonds (distance) P-C4' energy: -82.184
flat angles C4'-P-C4' energy: -90.237
flat angles P-C4'-P energy: -62.055
tors. eta vs tors. theta energy: -60.038
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: 66
Temperature: 1.050000
Total energy: -787.153925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.153925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.153925 (E_RNA)
where:
Base-Base interactions energy: -398.313
where: short stacking energy: -237.935
Base-Backbone interact. energy: -3.750
local terms energy: -385.091423
where:
bonds (distance) C4'-P energy: -91.796
bonds (distance) P-C4' energy: -95.469
flat angles C4'-P-C4' energy: -92.950
flat angles P-C4'-P energy: -49.662
tors. eta vs tors. theta energy: -55.215
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: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -627.677227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.677227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.677227 (E_RNA)
where:
Base-Base interactions energy: -294.255
where: short stacking energy: -192.649
Base-Backbone interact. energy: 2.188
local terms energy: -335.611086
where:
bonds (distance) C4'-P energy: -86.585
bonds (distance) P-C4' energy: -92.842
flat angles C4'-P-C4' energy: -68.609
flat angles P-C4'-P energy: -48.918
tors. eta vs tors. theta energy: -38.657
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: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -510.507912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.507912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.507912 (E_RNA)
where:
Base-Base interactions energy: -188.656
where: short stacking energy: -161.987
Base-Backbone interact. energy: -1.422
local terms energy: -320.429838
where:
bonds (distance) C4'-P energy: -77.048
bonds (distance) P-C4' energy: -89.262
flat angles C4'-P-C4' energy: -72.346
flat angles P-C4'-P energy: -47.177
tors. eta vs tors. theta energy: -34.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -440.131467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.131467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.131467 (E_RNA)
where:
Base-Base interactions energy: -160.052
where: short stacking energy: -144.925
Base-Backbone interact. energy: -1.027
local terms energy: -279.053108
where:
bonds (distance) C4'-P energy: -84.822
bonds (distance) P-C4' energy: -77.256
flat angles C4'-P-C4' energy: -69.598
flat angles P-C4'-P energy: -41.179
tors. eta vs tors. theta energy: -6.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -394.659966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.659966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.659966 (E_RNA)
where:
Base-Base interactions energy: -127.681
where: short stacking energy: -98.638
Base-Backbone interact. energy: -1.509
local terms energy: -265.469830
where:
bonds (distance) C4'-P energy: -83.179
bonds (distance) P-C4' energy: -81.220
flat angles C4'-P-C4' energy: -70.238
flat angles P-C4'-P energy: -40.554
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: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -402.661217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.661217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.661217 (E_RNA)
where:
Base-Base interactions energy: -121.731
where: short stacking energy: -117.639
Base-Backbone interact. energy: -1.101
local terms energy: -279.828558
where:
bonds (distance) C4'-P energy: -82.863
bonds (distance) P-C4' energy: -79.114
flat angles C4'-P-C4' energy: -72.300
flat angles P-C4'-P energy: -44.490
tors. eta vs tors. theta energy: -1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -339.065672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.065672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.065672 (E_RNA)
where:
Base-Base interactions energy: -90.675
where: short stacking energy: -75.365
Base-Backbone interact. energy: -0.347
local terms energy: -248.044253
where:
bonds (distance) C4'-P energy: -79.342
bonds (distance) P-C4' energy: -84.439
flat angles C4'-P-C4' energy: -61.014
flat angles P-C4'-P energy: -30.944
tors. eta vs tors. theta energy: 7.694
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: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1111.524949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.524949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.524949 (E_RNA)
where:
Base-Base interactions energy: -644.235
where: short stacking energy: -386.940
Base-Backbone interact. energy: -3.444
local terms energy: -463.845242
where:
bonds (distance) C4'-P energy: -96.487
bonds (distance) P-C4' energy: -90.363
flat angles C4'-P-C4' energy: -102.145
flat angles P-C4'-P energy: -70.508
tors. eta vs tors. theta energy: -104.342
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: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1067.476768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.476768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.476768 (E_RNA)
where:
Base-Base interactions energy: -630.243
where: short stacking energy: -400.806
Base-Backbone interact. energy: -2.026
local terms energy: -435.208237
where:
bonds (distance) C4'-P energy: -85.957
bonds (distance) P-C4' energy: -81.680
flat angles C4'-P-C4' energy: -106.625
flat angles P-C4'-P energy: -47.278
tors. eta vs tors. theta energy: -113.668
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: 67
Temperature: 1.000000
Total energy: -915.725976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.725976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.725976 (E_RNA)
where:
Base-Base interactions energy: -509.831
where: short stacking energy: -285.275
Base-Backbone interact. energy: -1.080
local terms energy: -404.815345
where:
bonds (distance) C4'-P energy: -91.236
bonds (distance) P-C4' energy: -90.357
flat angles C4'-P-C4' energy: -96.768
flat angles P-C4'-P energy: -54.004
tors. eta vs tors. theta energy: -72.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -801.078635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.078635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.078635 (E_RNA)
where:
Base-Base interactions energy: -422.515
where: short stacking energy: -251.159
Base-Backbone interact. energy: -2.279
local terms energy: -376.284458
where:
bonds (distance) C4'-P energy: -77.463
bonds (distance) P-C4' energy: -101.591
flat angles C4'-P-C4' energy: -91.386
flat angles P-C4'-P energy: -58.522
tors. eta vs tors. theta energy: -47.322
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: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -576.642157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.642157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.642157 (E_RNA)
where:
Base-Base interactions energy: -261.533
where: short stacking energy: -213.841
Base-Backbone interact. energy: -0.371
local terms energy: -314.738163
where:
bonds (distance) C4'-P energy: -80.201
bonds (distance) P-C4' energy: -75.806
flat angles C4'-P-C4' energy: -84.739
flat angles P-C4'-P energy: -50.933
tors. eta vs tors. theta energy: -23.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -491.776413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.776413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.776413 (E_RNA)
where:
Base-Base interactions energy: -171.758
where: short stacking energy: -166.994
Base-Backbone interact. energy: 3.561
local terms energy: -323.579369
where:
bonds (distance) C4'-P energy: -76.297
bonds (distance) P-C4' energy: -85.254
flat angles C4'-P-C4' energy: -91.862
flat angles P-C4'-P energy: -53.252
tors. eta vs tors. theta energy: -16.913
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: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -437.739456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.739456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.739456 (E_RNA)
where:
Base-Base interactions energy: -136.156
where: short stacking energy: -124.078
Base-Backbone interact. energy: -1.240
local terms energy: -300.342794
where:
bonds (distance) C4'-P energy: -83.420
bonds (distance) P-C4' energy: -77.507
flat angles C4'-P-C4' energy: -82.325
flat angles P-C4'-P energy: -57.936
tors. eta vs tors. theta energy: 0.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -402.925528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.925528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.925528 (E_RNA)
where:
Base-Base interactions energy: -142.863
where: short stacking energy: -128.007
Base-Backbone interact. energy: -0.553
local terms energy: -259.509193
where:
bonds (distance) C4'-P energy: -79.751
bonds (distance) P-C4' energy: -86.906
flat angles C4'-P-C4' energy: -49.634
flat angles P-C4'-P energy: -42.471
tors. eta vs tors. theta energy: -0.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -389.753842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.753842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.753842 (E_RNA)
where:
Base-Base interactions energy: -124.015
where: short stacking energy: -94.188
Base-Backbone interact. energy: 4.512
local terms energy: -270.250578
where:
bonds (distance) C4'-P energy: -87.723
bonds (distance) P-C4' energy: -79.899
flat angles C4'-P-C4' energy: -70.946
flat angles P-C4'-P energy: -39.963
tors. eta vs tors. theta energy: 8.280
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: 67
Temperature: 1.350000
Total energy: -363.796822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.796822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.796822 (E_RNA)
where:
Base-Base interactions energy: -137.530
where: short stacking energy: -122.155
Base-Backbone interact. energy: -0.338
local terms energy: -225.929631
where:
bonds (distance) C4'-P energy: -63.761
bonds (distance) P-C4' energy: -75.161
flat angles C4'-P-C4' energy: -59.433
flat angles P-C4'-P energy: -37.187
tors. eta vs tors. theta energy: 9.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1096.435838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.435838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.435838 (E_RNA)
where:
Base-Base interactions energy: -646.451
where: short stacking energy: -398.245
Base-Backbone interact. energy: -1.879
local terms energy: -448.105541
where:
bonds (distance) C4'-P energy: -81.582
bonds (distance) P-C4' energy: -99.187
flat angles C4'-P-C4' energy: -97.706
flat angles P-C4'-P energy: -67.983
tors. eta vs tors. theta energy: -101.647
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: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1043.219340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.219340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.219340 (E_RNA)
where:
Base-Base interactions energy: -621.638
where: short stacking energy: -351.982
Base-Backbone interact. energy: 2.105
local terms energy: -423.686023
where:
bonds (distance) C4'-P energy: -96.019
bonds (distance) P-C4' energy: -82.056
flat angles C4'-P-C4' energy: -94.404
flat angles P-C4'-P energy: -62.224
tors. eta vs tors. theta energy: -88.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -898.853048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.853048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.853048 (E_RNA)
where:
Base-Base interactions energy: -505.669
where: short stacking energy: -316.617
Base-Backbone interact. energy: 0.019
local terms energy: -393.202377
where:
bonds (distance) C4'-P energy: -86.267
bonds (distance) P-C4' energy: -81.313
flat angles C4'-P-C4' energy: -85.715
flat angles P-C4'-P energy: -60.208
tors. eta vs tors. theta energy: -79.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -814.967173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.967173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.967173 (E_RNA)
where:
Base-Base interactions energy: -432.832
where: short stacking energy: -250.713
Base-Backbone interact. energy: -1.004
local terms energy: -381.130891
where:
bonds (distance) C4'-P energy: -79.697
bonds (distance) P-C4' energy: -81.925
flat angles C4'-P-C4' energy: -100.782
flat angles P-C4'-P energy: -67.338
tors. eta vs tors. theta energy: -51.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -593.481277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.481277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.481277 (E_RNA)
where:
Base-Base interactions energy: -253.513
where: short stacking energy: -182.602
Base-Backbone interact. energy: -0.397
local terms energy: -339.571709
where:
bonds (distance) C4'-P energy: -67.649
bonds (distance) P-C4' energy: -94.079
flat angles C4'-P-C4' energy: -87.875
flat angles P-C4'-P energy: -67.197
tors. eta vs tors. theta energy: -22.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -485.346224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.346224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.346224 (E_RNA)
where:
Base-Base interactions energy: -170.027
where: short stacking energy: -151.143
Base-Backbone interact. energy: -0.985
local terms energy: -314.333568
where:
bonds (distance) C4'-P energy: -83.049
bonds (distance) P-C4' energy: -85.556
flat angles C4'-P-C4' energy: -77.256
flat angles P-C4'-P energy: -50.638
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -458.205258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.205258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.205258 (E_RNA)
where:
Base-Base interactions energy: -160.579
where: short stacking energy: -133.965
Base-Backbone interact. energy: -0.442
local terms energy: -297.183660
where:
bonds (distance) C4'-P energy: -70.045
bonds (distance) P-C4' energy: -87.118
flat angles C4'-P-C4' energy: -82.080
flat angles P-C4'-P energy: -44.943
tors. eta vs tors. theta energy: -12.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -415.818599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.818599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.818599 (E_RNA)
where:
Base-Base interactions energy: -147.592
where: short stacking energy: -119.020
Base-Backbone interact. energy: -2.975
local terms energy: -265.252105
where:
bonds (distance) C4'-P energy: -77.055
bonds (distance) P-C4' energy: -73.838
flat angles C4'-P-C4' energy: -57.910
flat angles P-C4'-P energy: -49.842
tors. eta vs tors. theta energy: -6.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -392.709491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.709491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.709491 (E_RNA)
where:
Base-Base interactions energy: -138.882
where: short stacking energy: -99.087
Base-Backbone interact. energy: -0.565
local terms energy: -253.263068
where:
bonds (distance) C4'-P energy: -76.352
bonds (distance) P-C4' energy: -70.371
flat angles C4'-P-C4' energy: -71.734
flat angles P-C4'-P energy: -40.910
tors. eta vs tors. theta energy: 6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -343.824801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.824801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.824801 (E_RNA)
where:
Base-Base interactions energy: -97.427
where: short stacking energy: -85.405
Base-Backbone interact. energy: 0.613
local terms energy: -247.009970
where:
bonds (distance) C4'-P energy: -96.609
bonds (distance) P-C4' energy: -89.458
flat angles C4'-P-C4' energy: -36.824
flat angles P-C4'-P energy: -36.787
tors. eta vs tors. theta energy: 12.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1124.299480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.299480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.299480 (E_RNA)
where:
Base-Base interactions energy: -670.147
where: short stacking energy: -402.406
Base-Backbone interact. energy: -4.676
local terms energy: -449.476390
where:
bonds (distance) C4'-P energy: -84.815
bonds (distance) P-C4' energy: -93.471
flat angles C4'-P-C4' energy: -96.281
flat angles P-C4'-P energy: -63.891
tors. eta vs tors. theta energy: -111.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1083.244688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.244688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.244688 (E_RNA)
where:
Base-Base interactions energy: -629.346
where: short stacking energy: -344.355
Base-Backbone interact. energy: -0.554
local terms energy: -453.344859
where:
bonds (distance) C4'-P energy: -91.016
bonds (distance) P-C4' energy: -95.839
flat angles C4'-P-C4' energy: -102.438
flat angles P-C4'-P energy: -66.705
tors. eta vs tors. theta energy: -97.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -919.362047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.362047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.362047 (E_RNA)
where:
Base-Base interactions energy: -511.708
where: short stacking energy: -307.183
Base-Backbone interact. energy: -0.171
local terms energy: -407.483387
where:
bonds (distance) C4'-P energy: -90.806
bonds (distance) P-C4' energy: -94.006
flat angles C4'-P-C4' energy: -92.859
flat angles P-C4'-P energy: -57.841
tors. eta vs tors. theta energy: -71.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -843.749770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.749770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.749770 (E_RNA)
where:
Base-Base interactions energy: -445.146
where: short stacking energy: -266.782
Base-Backbone interact. energy: -1.057
local terms energy: -397.547267
where:
bonds (distance) C4'-P energy: -84.020
bonds (distance) P-C4' energy: -93.483
flat angles C4'-P-C4' energy: -103.094
flat angles P-C4'-P energy: -61.205
tors. eta vs tors. theta energy: -55.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -629.992422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.992422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.992422 (E_RNA)
where:
Base-Base interactions energy: -311.412
where: short stacking energy: -238.841
Base-Backbone interact. energy: 2.483
local terms energy: -321.063191
where:
bonds (distance) C4'-P energy: -79.095
bonds (distance) P-C4' energy: -66.999
flat angles C4'-P-C4' energy: -86.188
flat angles P-C4'-P energy: -45.672
tors. eta vs tors. theta energy: -43.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -477.422868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.422868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.422868 (E_RNA)
where:
Base-Base interactions energy: -183.510
where: short stacking energy: -151.184
Base-Backbone interact. energy: -0.492
local terms energy: -293.420469
where:
bonds (distance) C4'-P energy: -82.539
bonds (distance) P-C4' energy: -91.391
flat angles C4'-P-C4' energy: -62.712
flat angles P-C4'-P energy: -46.341
tors. eta vs tors. theta energy: -10.438
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: 7, replica: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -456.077957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.077957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.077957 (E_RNA)
where:
Base-Base interactions energy: -179.203
where: short stacking energy: -158.154
Base-Backbone interact. energy: 1.120
local terms energy: -277.994077
where:
bonds (distance) C4'-P energy: -78.731
bonds (distance) P-C4' energy: -76.103
flat angles C4'-P-C4' energy: -72.100
flat angles P-C4'-P energy: -40.849
tors. eta vs tors. theta energy: -10.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -423.094140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.094140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.094140 (E_RNA)
where:
Base-Base interactions energy: -149.726
where: short stacking energy: -127.674
Base-Backbone interact. energy: 3.046
local terms energy: -276.414665
where:
bonds (distance) C4'-P energy: -89.837
bonds (distance) P-C4' energy: -80.063
flat angles C4'-P-C4' energy: -74.880
flat angles P-C4'-P energy: -42.484
tors. eta vs tors. theta energy: 10.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -378.946888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.946888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.946888 (E_RNA)
where:
Base-Base interactions energy: -122.731
where: short stacking energy: -110.206
Base-Backbone interact. energy: 2.722
local terms energy: -258.938182
where:
bonds (distance) C4'-P energy: -82.045
bonds (distance) P-C4' energy: -79.264
flat angles C4'-P-C4' energy: -63.737
flat angles P-C4'-P energy: -47.994
tors. eta vs tors. theta energy: 14.102
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: 10, replica: 1
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -360.548043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.548043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.548043 (E_RNA)
where:
Base-Base interactions energy: -129.010
where: short stacking energy: -122.967
Base-Backbone interact. energy: 5.497
local terms energy: -237.035401
where:
bonds (distance) C4'-P energy: -71.395
bonds (distance) P-C4' energy: -80.400
flat angles C4'-P-C4' energy: -54.242
flat angles P-C4'-P energy: -42.723
tors. eta vs tors. theta energy: 11.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1115.725769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.725769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.725769 (E_RNA)
where:
Base-Base interactions energy: -647.159
where: short stacking energy: -398.677
Base-Backbone interact. energy: -1.124
local terms energy: -467.443094
where:
bonds (distance) C4'-P energy: -93.451
bonds (distance) P-C4' energy: -99.629
flat angles C4'-P-C4' energy: -101.336
flat angles P-C4'-P energy: -65.478
tors. eta vs tors. theta energy: -107.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1077.372879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.372879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.372879 (E_RNA)
where:
Base-Base interactions energy: -639.280
where: short stacking energy: -357.738
Base-Backbone interact. energy: -1.218
local terms energy: -436.874653
where:
bonds (distance) C4'-P energy: -90.447
bonds (distance) P-C4' energy: -88.189
flat angles C4'-P-C4' energy: -92.510
flat angles P-C4'-P energy: -62.017
tors. eta vs tors. theta energy: -103.712
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: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -945.897033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.897033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.897033 (E_RNA)
where:
Base-Base interactions energy: -558.165
where: short stacking energy: -313.609
Base-Backbone interact. energy: 0.076
local terms energy: -387.808852
where:
bonds (distance) C4'-P energy: -86.811
bonds (distance) P-C4' energy: -80.685
flat angles C4'-P-C4' energy: -74.836
flat angles P-C4'-P energy: -70.971
tors. eta vs tors. theta energy: -74.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -828.489092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.489092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.489092 (E_RNA)
where:
Base-Base interactions energy: -428.625
where: short stacking energy: -269.310
Base-Backbone interact. energy: -1.636
local terms energy: -398.228146
where:
bonds (distance) C4'-P energy: -91.554
bonds (distance) P-C4' energy: -89.082
flat angles C4'-P-C4' energy: -98.048
flat angles P-C4'-P energy: -54.546
tors. eta vs tors. theta energy: -64.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -624.255412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.255412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.255412 (E_RNA)
where:
Base-Base interactions energy: -278.395
where: short stacking energy: -212.020
Base-Backbone interact. energy: 0.827
local terms energy: -346.686820
where:
bonds (distance) C4'-P energy: -69.300
bonds (distance) P-C4' energy: -99.744
flat angles C4'-P-C4' energy: -85.702
flat angles P-C4'-P energy: -57.610
tors. eta vs tors. theta energy: -34.330
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: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -470.430224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.430224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.430224 (E_RNA)
where:
Base-Base interactions energy: -160.498
where: short stacking energy: -134.884
Base-Backbone interact. energy: -0.007
local terms energy: -309.924418
where:
bonds (distance) C4'-P energy: -93.018
bonds (distance) P-C4' energy: -90.704
flat angles C4'-P-C4' energy: -75.104
flat angles P-C4'-P energy: -48.431
tors. eta vs tors. theta energy: -2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -438.989199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.989199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.989199 (E_RNA)
where:
Base-Base interactions energy: -160.159
where: short stacking energy: -130.367
Base-Backbone interact. energy: -1.485
local terms energy: -277.345752
where:
bonds (distance) C4'-P energy: -65.877
bonds (distance) P-C4' energy: -85.622
flat angles C4'-P-C4' energy: -79.112
flat angles P-C4'-P energy: -47.041
tors. eta vs tors. theta energy: 0.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -394.110380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.110380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.110380 (E_RNA)
where:
Base-Base interactions energy: -134.962
where: short stacking energy: -115.924
Base-Backbone interact. energy: -1.535
local terms energy: -257.612490
where:
bonds (distance) C4'-P energy: -70.489
bonds (distance) P-C4' energy: -73.078
flat angles C4'-P-C4' energy: -86.490
flat angles P-C4'-P energy: -35.265
tors. eta vs tors. theta energy: 7.709
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: 1
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -398.418585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.418585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.418585 (E_RNA)
where:
Base-Base interactions energy: -132.353
where: short stacking energy: -121.692
Base-Backbone interact. energy: -1.213
local terms energy: -264.852321
where:
bonds (distance) C4'-P energy: -74.737
bonds (distance) P-C4' energy: -82.792
flat angles C4'-P-C4' energy: -60.091
flat angles P-C4'-P energy: -37.165
tors. eta vs tors. theta energy: -10.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -357.094643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.094643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.094643 (E_RNA)
where:
Base-Base interactions energy: -106.409
where: short stacking energy: -103.321
Base-Backbone interact. energy: -2.391
local terms energy: -248.294753
where:
bonds (distance) C4'-P energy: -78.486
bonds (distance) P-C4' energy: -67.847
flat angles C4'-P-C4' energy: -72.624
flat angles P-C4'-P energy: -39.586
tors. eta vs tors. theta energy: 10.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1109.768440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.768440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.768440 (E_RNA)
where:
Base-Base interactions energy: -640.556
where: short stacking energy: -409.878
Base-Backbone interact. energy: 0.906
local terms energy: -470.118094
where:
bonds (distance) C4'-P energy: -84.424
bonds (distance) P-C4' energy: -98.077
flat angles C4'-P-C4' energy: -106.927
flat angles P-C4'-P energy: -66.346
tors. eta vs tors. theta energy: -114.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1082.654166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.654166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.654166 (E_RNA)
where:
Base-Base interactions energy: -638.525
where: short stacking energy: -352.357
Base-Backbone interact. energy: -0.909
local terms energy: -443.219389
where:
bonds (distance) C4'-P energy: -92.738
bonds (distance) P-C4' energy: -94.390
flat angles C4'-P-C4' energy: -94.594
flat angles P-C4'-P energy: -66.755
tors. eta vs tors. theta energy: -94.742
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: 7
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -915.456376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.456376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.456376 (E_RNA)
where:
Base-Base interactions energy: -527.984
where: short stacking energy: -323.044
Base-Backbone interact. energy: -1.511
local terms energy: -385.961946
where:
bonds (distance) C4'-P energy: -88.727
bonds (distance) P-C4' energy: -82.100
flat angles C4'-P-C4' energy: -81.896
flat angles P-C4'-P energy: -51.774
tors. eta vs tors. theta energy: -81.465
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: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -835.017404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.017404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.017404 (E_RNA)
where:
Base-Base interactions energy: -455.692
where: short stacking energy: -266.898
Base-Backbone interact. energy: -2.095
local terms energy: -377.230478
where:
bonds (distance) C4'-P energy: -87.622
bonds (distance) P-C4' energy: -89.228
flat angles C4'-P-C4' energy: -89.798
flat angles P-C4'-P energy: -48.031
tors. eta vs tors. theta energy: -62.551
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: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -634.695613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.695613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.695613 (E_RNA)
where:
Base-Base interactions energy: -301.226
where: short stacking energy: -229.351
Base-Backbone interact. energy: 0.232
local terms energy: -333.702421
where:
bonds (distance) C4'-P energy: -80.032
bonds (distance) P-C4' energy: -88.561
flat angles C4'-P-C4' energy: -76.108
flat angles P-C4'-P energy: -50.452
tors. eta vs tors. theta energy: -38.550
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: 71
Temperature: 1.150000
Total energy: -454.223771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.223771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.223771 (E_RNA)
where:
Base-Base interactions energy: -159.595
where: short stacking energy: -144.443
Base-Backbone interact. energy: 2.873
local terms energy: -297.501920
where:
bonds (distance) C4'-P energy: -71.702
bonds (distance) P-C4' energy: -84.921
flat angles C4'-P-C4' energy: -74.364
flat angles P-C4'-P energy: -55.884
tors. eta vs tors. theta energy: -10.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -437.117035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.117035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.117035 (E_RNA)
where:
Base-Base interactions energy: -154.232
where: short stacking energy: -129.782
Base-Backbone interact. energy: 1.369
local terms energy: -284.254928
where:
bonds (distance) C4'-P energy: -84.593
bonds (distance) P-C4' energy: -90.821
flat angles C4'-P-C4' energy: -65.801
flat angles P-C4'-P energy: -38.823
tors. eta vs tors. theta energy: -4.218
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: 5
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -398.977149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.977149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.977149 (E_RNA)
where:
Base-Base interactions energy: -164.853
where: short stacking energy: -138.764
Base-Backbone interact. energy: 1.108
local terms energy: -235.231635
where:
bonds (distance) C4'-P energy: -75.161
bonds (distance) P-C4' energy: -96.169
flat angles C4'-P-C4' energy: -50.484
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -428.326733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.326733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.326733 (E_RNA)
where:
Base-Base interactions energy: -165.447
where: short stacking energy: -112.976
Base-Backbone interact. energy: -0.483
local terms energy: -262.397051
where:
bonds (distance) C4'-P energy: -85.889
bonds (distance) P-C4' energy: -87.592
flat angles C4'-P-C4' energy: -73.066
flat angles P-C4'-P energy: -22.682
tors. eta vs tors. theta energy: 6.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -359.053240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.053240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.053240 (E_RNA)
where:
Base-Base interactions energy: -125.419
where: short stacking energy: -109.731
Base-Backbone interact. energy: 3.137
local terms energy: -236.771178
where:
bonds (distance) C4'-P energy: -74.300
bonds (distance) P-C4' energy: -62.102
flat angles C4'-P-C4' energy: -63.330
flat angles P-C4'-P energy: -47.258
tors. eta vs tors. theta energy: 10.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1119.496179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.496179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.496179 (E_RNA)
where:
Base-Base interactions energy: -638.024
where: short stacking energy: -404.899
Base-Backbone interact. energy: -2.968
local terms energy: -478.504358
where:
bonds (distance) C4'-P energy: -97.801
bonds (distance) P-C4' energy: -97.061
flat angles C4'-P-C4' energy: -102.000
flat angles P-C4'-P energy: -66.655
tors. eta vs tors. theta energy: -114.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1069.187974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.187974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.187974 (E_RNA)
where:
Base-Base interactions energy: -605.242
where: short stacking energy: -363.336
Base-Backbone interact. energy: 1.196
local terms energy: -465.141540
where:
bonds (distance) C4'-P energy: -92.436
bonds (distance) P-C4' energy: -94.509
flat angles C4'-P-C4' energy: -103.530
flat angles P-C4'-P energy: -70.361
tors. eta vs tors. theta energy: -104.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -954.339680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.339680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.339680 (E_RNA)
where:
Base-Base interactions energy: -548.119
where: short stacking energy: -321.993
Base-Backbone interact. energy: 0.161
local terms energy: -406.381602
where:
bonds (distance) C4'-P energy: -86.755
bonds (distance) P-C4' energy: -90.360
flat angles C4'-P-C4' energy: -98.936
flat angles P-C4'-P energy: -50.840
tors. eta vs tors. theta energy: -79.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -797.424128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.424128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.424128 (E_RNA)
where:
Base-Base interactions energy: -454.387
where: short stacking energy: -280.094
Base-Backbone interact. energy: -1.396
local terms energy: -341.641281
where:
bonds (distance) C4'-P energy: -77.932
bonds (distance) P-C4' energy: -82.919
flat angles C4'-P-C4' energy: -77.926
flat angles P-C4'-P energy: -46.480
tors. eta vs tors. theta energy: -56.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -678.428265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.428265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.428265 (E_RNA)
where:
Base-Base interactions energy: -332.017
where: short stacking energy: -217.899
Base-Backbone interact. energy: -0.530
local terms energy: -345.881252
where:
bonds (distance) C4'-P energy: -91.725
bonds (distance) P-C4' energy: -82.571
flat angles C4'-P-C4' energy: -92.409
flat angles P-C4'-P energy: -43.854
tors. eta vs tors. theta energy: -35.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -518.577651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.577651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.577651 (E_RNA)
where:
Base-Base interactions energy: -202.901
where: short stacking energy: -153.956
Base-Backbone interact. energy: 2.920
local terms energy: -318.596370
where:
bonds (distance) C4'-P energy: -77.713
bonds (distance) P-C4' energy: -85.366
flat angles C4'-P-C4' energy: -83.282
flat angles P-C4'-P energy: -53.762
tors. eta vs tors. theta energy: -18.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -453.696734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.696734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.696734 (E_RNA)
where:
Base-Base interactions energy: -179.272
where: short stacking energy: -145.033
Base-Backbone interact. energy: 0.018
local terms energy: -274.442959
where:
bonds (distance) C4'-P energy: -77.640
bonds (distance) P-C4' energy: -87.935
flat angles C4'-P-C4' energy: -55.535
flat angles P-C4'-P energy: -50.448
tors. eta vs tors. theta energy: -2.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -437.823514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.823514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.823514 (E_RNA)
where:
Base-Base interactions energy: -161.640
where: short stacking energy: -147.796
Base-Backbone interact. energy: 3.523
local terms energy: -279.706524
where:
bonds (distance) C4'-P energy: -73.661
bonds (distance) P-C4' energy: -94.025
flat angles C4'-P-C4' energy: -73.946
flat angles P-C4'-P energy: -43.629
tors. eta vs tors. theta energy: 5.555
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: 1
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -429.901503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.901503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.901503 (E_RNA)
where:
Base-Base interactions energy: -139.441
where: short stacking energy: -104.082
Base-Backbone interact. energy: 0.066
local terms energy: -290.525836
where:
bonds (distance) C4'-P energy: -89.243
bonds (distance) P-C4' energy: -84.358
flat angles C4'-P-C4' energy: -73.474
flat angles P-C4'-P energy: -49.740
tors. eta vs tors. theta energy: 6.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -336.706272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.706272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.706272 (E_RNA)
where:
Base-Base interactions energy: -108.544
where: short stacking energy: -97.794
Base-Backbone interact. energy: 1.612
local terms energy: -229.774751
where:
bonds (distance) C4'-P energy: -59.759
bonds (distance) P-C4' energy: -86.176
flat angles C4'-P-C4' energy: -65.208
flat angles P-C4'-P energy: -31.779
tors. eta vs tors. theta energy: 13.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1125.919109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.919109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.919109 (E_RNA)
where:
Base-Base interactions energy: -672.245
where: short stacking energy: -396.768
Base-Backbone interact. energy: -0.781
local terms energy: -452.893382
where:
bonds (distance) C4'-P energy: -96.380
bonds (distance) P-C4' energy: -94.437
flat angles C4'-P-C4' energy: -96.309
flat angles P-C4'-P energy: -55.815
tors. eta vs tors. theta energy: -109.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1027.158323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.158323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.158323 (E_RNA)
where:
Base-Base interactions energy: -595.229
where: short stacking energy: -346.795
Base-Backbone interact. energy: -1.904
local terms energy: -430.025517
where:
bonds (distance) C4'-P energy: -86.180
bonds (distance) P-C4' energy: -95.610
flat angles C4'-P-C4' energy: -97.844
flat angles P-C4'-P energy: -57.603
tors. eta vs tors. theta energy: -92.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -906.513138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.513138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.513138 (E_RNA)
where:
Base-Base interactions energy: -514.416
where: short stacking energy: -290.333
Base-Backbone interact. energy: -1.461
local terms energy: -390.635888
where:
bonds (distance) C4'-P energy: -90.763
bonds (distance) P-C4' energy: -91.316
flat angles C4'-P-C4' energy: -95.318
flat angles P-C4'-P energy: -44.081
tors. eta vs tors. theta energy: -69.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -753.467220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.467220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.467220 (E_RNA)
where:
Base-Base interactions energy: -381.017
where: short stacking energy: -251.000
Base-Backbone interact. energy: -0.935
local terms energy: -371.515310
where:
bonds (distance) C4'-P energy: -93.102
bonds (distance) P-C4' energy: -96.487
flat angles C4'-P-C4' energy: -79.443
flat angles P-C4'-P energy: -51.346
tors. eta vs tors. theta energy: -51.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -683.235034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.235034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.235034 (E_RNA)
where:
Base-Base interactions energy: -351.687
where: short stacking energy: -217.174
Base-Backbone interact. energy: -1.883
local terms energy: -329.665620
where:
bonds (distance) C4'-P energy: -66.817
bonds (distance) P-C4' energy: -94.119
flat angles C4'-P-C4' energy: -70.998
flat angles P-C4'-P energy: -50.400
tors. eta vs tors. theta energy: -47.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -473.108031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.108031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.108031 (E_RNA)
where:
Base-Base interactions energy: -176.735
where: short stacking energy: -152.358
Base-Backbone interact. energy: -1.527
local terms energy: -294.845244
where:
bonds (distance) C4'-P energy: -77.534
bonds (distance) P-C4' energy: -90.007
flat angles C4'-P-C4' energy: -74.649
flat angles P-C4'-P energy: -32.607
tors. eta vs tors. theta energy: -20.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -438.859100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.859100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.859100 (E_RNA)
where:
Base-Base interactions energy: -154.342
where: short stacking energy: -126.348
Base-Backbone interact. energy: -0.167
local terms energy: -284.349641
where:
bonds (distance) C4'-P energy: -80.311
bonds (distance) P-C4' energy: -79.438
flat angles C4'-P-C4' energy: -72.599
flat angles P-C4'-P energy: -42.968
tors. eta vs tors. theta energy: -9.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -429.919197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.919197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.919197 (E_RNA)
where:
Base-Base interactions energy: -169.965
where: short stacking energy: -150.467
Base-Backbone interact. energy: 0.102
local terms energy: -260.056605
where:
bonds (distance) C4'-P energy: -76.542
bonds (distance) P-C4' energy: -68.811
flat angles C4'-P-C4' energy: -73.063
flat angles P-C4'-P energy: -33.338
tors. eta vs tors. theta energy: -8.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -370.126023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.126023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.126023 (E_RNA)
where:
Base-Base interactions energy: -134.074
where: short stacking energy: -104.409
Base-Backbone interact. energy: 0.807
local terms energy: -236.859410
where:
bonds (distance) C4'-P energy: -65.802
bonds (distance) P-C4' energy: -78.148
flat angles C4'-P-C4' energy: -71.351
flat angles P-C4'-P energy: -38.235
tors. eta vs tors. theta energy: 16.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -347.888932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.888932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.888932 (E_RNA)
where:
Base-Base interactions energy: -103.168
where: short stacking energy: -96.291
Base-Backbone interact. energy: -2.064
local terms energy: -242.656705
where:
bonds (distance) C4'-P energy: -81.268
bonds (distance) P-C4' energy: -83.099
flat angles C4'-P-C4' energy: -46.753
flat angles P-C4'-P energy: -48.644
tors. eta vs tors. theta energy: 17.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1038.527675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.527675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.527675 (E_RNA)
where:
Base-Base interactions energy: -602.618
where: short stacking energy: -337.599
Base-Backbone interact. energy: -3.023
local terms energy: -432.886544
where:
bonds (distance) C4'-P energy: -93.532
bonds (distance) P-C4' energy: -94.296
flat angles C4'-P-C4' energy: -95.007
flat angles P-C4'-P energy: -65.560
tors. eta vs tors. theta energy: -84.492
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: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1111.383705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.383705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.383705 (E_RNA)
where:
Base-Base interactions energy: -646.544
where: short stacking energy: -397.231
Base-Backbone interact. energy: -1.452
local terms energy: -463.387338
where:
bonds (distance) C4'-P energy: -91.245
bonds (distance) P-C4' energy: -90.271
flat angles C4'-P-C4' energy: -100.004
flat angles P-C4'-P energy: -67.143
tors. eta vs tors. theta energy: -114.724
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: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -916.349721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.349721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.349721 (E_RNA)
where:
Base-Base interactions energy: -500.987
where: short stacking energy: -311.733
Base-Backbone interact. energy: -1.271
local terms energy: -414.092138
where:
bonds (distance) C4'-P energy: -75.906
bonds (distance) P-C4' energy: -100.866
flat angles C4'-P-C4' energy: -101.053
flat angles P-C4'-P energy: -56.314
tors. eta vs tors. theta energy: -79.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -763.266125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.266125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.266125 (E_RNA)
where:
Base-Base interactions energy: -376.083
where: short stacking energy: -264.440
Base-Backbone interact. energy: 2.053
local terms energy: -389.236288
where:
bonds (distance) C4'-P energy: -91.066
bonds (distance) P-C4' energy: -106.387
flat angles C4'-P-C4' energy: -81.854
flat angles P-C4'-P energy: -56.418
tors. eta vs tors. theta energy: -53.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -719.631756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.631756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.631756 (E_RNA)
where:
Base-Base interactions energy: -366.583
where: short stacking energy: -221.754
Base-Backbone interact. energy: -1.365
local terms energy: -351.684289
where:
bonds (distance) C4'-P energy: -82.412
bonds (distance) P-C4' energy: -92.991
flat angles C4'-P-C4' energy: -76.679
flat angles P-C4'-P energy: -62.014
tors. eta vs tors. theta energy: -37.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -491.283575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.283575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.283575 (E_RNA)
where:
Base-Base interactions energy: -194.334
where: short stacking energy: -144.178
Base-Backbone interact. energy: -1.542
local terms energy: -295.407891
where:
bonds (distance) C4'-P energy: -81.470
bonds (distance) P-C4' energy: -84.326
flat angles C4'-P-C4' energy: -74.041
flat angles P-C4'-P energy: -47.232
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -470.009846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.009846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.009846 (E_RNA)
where:
Base-Base interactions energy: -164.954
where: short stacking energy: -136.006
Base-Backbone interact. energy: 1.434
local terms energy: -306.490126
where:
bonds (distance) C4'-P energy: -81.190
bonds (distance) P-C4' energy: -80.343
flat angles C4'-P-C4' energy: -71.163
flat angles P-C4'-P energy: -50.763
tors. eta vs tors. theta energy: -23.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -418.344838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.344838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.344838 (E_RNA)
where:
Base-Base interactions energy: -146.569
where: short stacking energy: -140.739
Base-Backbone interact. energy: 4.155
local terms energy: -275.931498
where:
bonds (distance) C4'-P energy: -71.866
bonds (distance) P-C4' energy: -82.093
flat angles C4'-P-C4' energy: -68.345
flat angles P-C4'-P energy: -49.786
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -388.013914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.013914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.013914 (E_RNA)
where:
Base-Base interactions energy: -121.748
where: short stacking energy: -116.488
Base-Backbone interact. energy: 0.891
local terms energy: -267.156922
where:
bonds (distance) C4'-P energy: -78.867
bonds (distance) P-C4' energy: -72.166
flat angles C4'-P-C4' energy: -76.576
flat angles P-C4'-P energy: -32.618
tors. eta vs tors. theta energy: -6.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -357.586567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.586567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.586567 (E_RNA)
where:
Base-Base interactions energy: -107.542
where: short stacking energy: -98.692
Base-Backbone interact. energy: 8.735
local terms energy: -258.779760
where:
bonds (distance) C4'-P energy: -91.369
bonds (distance) P-C4' energy: -76.710
flat angles C4'-P-C4' energy: -81.653
flat angles P-C4'-P energy: -31.992
tors. eta vs tors. theta energy: 22.945
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: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1063.757847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.757847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.757847 (E_RNA)
where:
Base-Base interactions energy: -636.118
where: short stacking energy: -361.354
Base-Backbone interact. energy: -0.610
local terms energy: -427.029270
where:
bonds (distance) C4'-P energy: -85.472
bonds (distance) P-C4' energy: -95.436
flat angles C4'-P-C4' energy: -96.359
flat angles P-C4'-P energy: -61.954
tors. eta vs tors. theta energy: -87.808
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: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1105.018667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.018667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.018667 (E_RNA)
where:
Base-Base interactions energy: -652.582
where: short stacking energy: -400.051
Base-Backbone interact. energy: 0.512
local terms energy: -452.948467
where:
bonds (distance) C4'-P energy: -89.087
bonds (distance) P-C4' energy: -89.126
flat angles C4'-P-C4' energy: -97.929
flat angles P-C4'-P energy: -66.220
tors. eta vs tors. theta energy: -110.585
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: 7
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -898.983845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.983845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.983845 (E_RNA)
where:
Base-Base interactions energy: -501.681
where: short stacking energy: -313.875
Base-Backbone interact. energy: -1.362
local terms energy: -395.940542
where:
bonds (distance) C4'-P energy: -75.385
bonds (distance) P-C4' energy: -86.046
flat angles C4'-P-C4' energy: -94.481
flat angles P-C4'-P energy: -55.505
tors. eta vs tors. theta energy: -84.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -783.841992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.841992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.841992 (E_RNA)
where:
Base-Base interactions energy: -401.358
where: short stacking energy: -268.388
Base-Backbone interact. energy: -2.008
local terms energy: -380.476235
where:
bonds (distance) C4'-P energy: -82.888
bonds (distance) P-C4' energy: -82.600
flat angles C4'-P-C4' energy: -97.908
flat angles P-C4'-P energy: -56.354
tors. eta vs tors. theta energy: -60.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -696.736455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.736455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.736455 (E_RNA)
where:
Base-Base interactions energy: -352.501
where: short stacking energy: -242.036
Base-Backbone interact. energy: -1.180
local terms energy: -343.055395
where:
bonds (distance) C4'-P energy: -97.953
bonds (distance) P-C4' energy: -66.782
flat angles C4'-P-C4' energy: -84.862
flat angles P-C4'-P energy: -47.265
tors. eta vs tors. theta energy: -46.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -515.624651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.624651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.624651 (E_RNA)
where:
Base-Base interactions energy: -194.162
where: short stacking energy: -167.919
Base-Backbone interact. energy: -0.730
local terms energy: -320.732574
where:
bonds (distance) C4'-P energy: -70.502
bonds (distance) P-C4' energy: -90.680
flat angles C4'-P-C4' energy: -76.479
flat angles P-C4'-P energy: -60.732
tors. eta vs tors. theta energy: -22.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -458.196114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.196114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.196114 (E_RNA)
where:
Base-Base interactions energy: -182.431
where: short stacking energy: -133.870
Base-Backbone interact. energy: -0.080
local terms energy: -275.685370
where:
bonds (distance) C4'-P energy: -69.591
bonds (distance) P-C4' energy: -85.479
flat angles C4'-P-C4' energy: -78.266
flat angles P-C4'-P energy: -38.098
tors. eta vs tors. theta energy: -4.251
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: 75
Temperature: 1.250000
Total energy: -418.860692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.860692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.860692 (E_RNA)
where:
Base-Base interactions energy: -125.514
where: short stacking energy: -118.643
Base-Backbone interact. energy: 2.652
local terms energy: -295.998104
where:
bonds (distance) C4'-P energy: -79.347
bonds (distance) P-C4' energy: -83.737
flat angles C4'-P-C4' energy: -76.155
flat angles P-C4'-P energy: -50.749
tors. eta vs tors. theta energy: -6.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -373.507038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.507038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.507038 (E_RNA)
where:
Base-Base interactions energy: -141.449
where: short stacking energy: -128.364
Base-Backbone interact. energy: 1.233
local terms energy: -233.291490
where:
bonds (distance) C4'-P energy: -64.809
bonds (distance) P-C4' energy: -65.773
flat angles C4'-P-C4' energy: -53.730
flat angles P-C4'-P energy: -49.064
tors. eta vs tors. theta energy: 0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -341.361832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.361832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.361832 (E_RNA)
where:
Base-Base interactions energy: -123.896
where: short stacking energy: -108.287
Base-Backbone interact. energy: -0.441
local terms energy: -217.024378
where:
bonds (distance) C4'-P energy: -65.377
bonds (distance) P-C4' energy: -75.008
flat angles C4'-P-C4' energy: -59.047
flat angles P-C4'-P energy: -36.490
tors. eta vs tors. theta energy: 18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1145.796488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.796488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.796488 (E_RNA)
where:
Base-Base interactions energy: -685.409
where: short stacking energy: -418.214
Base-Backbone interact. energy: -0.877
local terms energy: -459.510888
where:
bonds (distance) C4'-P energy: -88.353
bonds (distance) P-C4' energy: -97.389
flat angles C4'-P-C4' energy: -92.150
flat angles P-C4'-P energy: -66.146
tors. eta vs tors. theta energy: -115.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1047.468214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.468214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.468214 (E_RNA)
where:
Base-Base interactions energy: -626.516
where: short stacking energy: -347.678
Base-Backbone interact. energy: -0.562
local terms energy: -420.390047
where:
bonds (distance) C4'-P energy: -89.993
bonds (distance) P-C4' energy: -93.134
flat angles C4'-P-C4' energy: -84.003
flat angles P-C4'-P energy: -65.140
tors. eta vs tors. theta energy: -88.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -889.983867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.983867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.983867 (E_RNA)
where:
Base-Base interactions energy: -506.082
where: short stacking energy: -292.410
Base-Backbone interact. energy: 0.264
local terms energy: -384.165652
where:
bonds (distance) C4'-P energy: -93.964
bonds (distance) P-C4' energy: -83.560
flat angles C4'-P-C4' energy: -94.451
flat angles P-C4'-P energy: -52.776
tors. eta vs tors. theta energy: -59.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -806.814111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.814111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.814111 (E_RNA)
where:
Base-Base interactions energy: -428.916
where: short stacking energy: -287.692
Base-Backbone interact. energy: 1.332
local terms energy: -379.229969
where:
bonds (distance) C4'-P energy: -82.529
bonds (distance) P-C4' energy: -87.063
flat angles C4'-P-C4' energy: -88.952
flat angles P-C4'-P energy: -58.357
tors. eta vs tors. theta energy: -62.328
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: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -701.038514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.038514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.038514 (E_RNA)
where:
Base-Base interactions energy: -367.323
where: short stacking energy: -240.737
Base-Backbone interact. energy: 6.508
local terms energy: -340.223409
where:
bonds (distance) C4'-P energy: -87.737
bonds (distance) P-C4' energy: -83.436
flat angles C4'-P-C4' energy: -83.671
flat angles P-C4'-P energy: -44.200
tors. eta vs tors. theta energy: -41.181
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: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -531.375447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.375447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.375447 (E_RNA)
where:
Base-Base interactions energy: -209.965
where: short stacking energy: -184.780
Base-Backbone interact. energy: -0.684
local terms energy: -320.725916
where:
bonds (distance) C4'-P energy: -84.442
bonds (distance) P-C4' energy: -87.645
flat angles C4'-P-C4' energy: -77.554
flat angles P-C4'-P energy: -43.197
tors. eta vs tors. theta energy: -27.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -438.961505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.961505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.961505 (E_RNA)
where:
Base-Base interactions energy: -160.030
where: short stacking energy: -149.628
Base-Backbone interact. energy: -1.291
local terms energy: -277.640442
where:
bonds (distance) C4'-P energy: -82.495
bonds (distance) P-C4' energy: -86.723
flat angles C4'-P-C4' energy: -70.162
flat angles P-C4'-P energy: -34.185
tors. eta vs tors. theta energy: -4.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -446.965954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.965954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.965954 (E_RNA)
where:
Base-Base interactions energy: -169.669
where: short stacking energy: -162.460
Base-Backbone interact. energy: -1.051
local terms energy: -276.245921
where:
bonds (distance) C4'-P energy: -72.400
bonds (distance) P-C4' energy: -83.358
flat angles C4'-P-C4' energy: -63.335
flat angles P-C4'-P energy: -40.742
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -368.051456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.051456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.051456 (E_RNA)
where:
Base-Base interactions energy: -105.152
where: short stacking energy: -95.412
Base-Backbone interact. energy: 1.254
local terms energy: -264.152847
where:
bonds (distance) C4'-P energy: -71.208
bonds (distance) P-C4' energy: -81.147
flat angles C4'-P-C4' energy: -78.337
flat angles P-C4'-P energy: -43.663
tors. eta vs tors. theta energy: 10.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -366.759997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.759997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.759997 (E_RNA)
where:
Base-Base interactions energy: -112.984
where: short stacking energy: -111.487
Base-Backbone interact. energy: -1.194
local terms energy: -252.582706
where:
bonds (distance) C4'-P energy: -86.491
bonds (distance) P-C4' energy: -74.243
flat angles C4'-P-C4' energy: -62.951
flat angles P-C4'-P energy: -33.273
tors. eta vs tors. theta energy: 4.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1153.724245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.724245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.724245 (E_RNA)
where:
Base-Base interactions energy: -677.453
where: short stacking energy: -407.863
Base-Backbone interact. energy: 0.903
local terms energy: -477.174414
where:
bonds (distance) C4'-P energy: -88.901
bonds (distance) P-C4' energy: -101.080
flat angles C4'-P-C4' energy: -102.380
flat angles P-C4'-P energy: -64.567
tors. eta vs tors. theta energy: -120.247
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: 77
Temperature: 0.950000
Total energy: -1036.105805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.105805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.105805 (E_RNA)
where:
Base-Base interactions energy: -593.873
where: short stacking energy: -360.064
Base-Backbone interact. energy: -0.281
local terms energy: -441.952145
where:
bonds (distance) C4'-P energy: -94.901
bonds (distance) P-C4' energy: -83.317
flat angles C4'-P-C4' energy: -99.726
flat angles P-C4'-P energy: -77.195
tors. eta vs tors. theta energy: -86.812
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: 7
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -898.291022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.291022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.291022 (E_RNA)
where:
Base-Base interactions energy: -507.282
where: short stacking energy: -295.163
Base-Backbone interact. energy: -0.919
local terms energy: -390.090257
where:
bonds (distance) C4'-P energy: -86.221
bonds (distance) P-C4' energy: -86.845
flat angles C4'-P-C4' energy: -95.622
flat angles P-C4'-P energy: -57.151
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: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -795.355422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.355422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.355422 (E_RNA)
where:
Base-Base interactions energy: -412.468
where: short stacking energy: -276.076
Base-Backbone interact. energy: -1.429
local terms energy: -381.458438
where:
bonds (distance) C4'-P energy: -85.304
bonds (distance) P-C4' energy: -93.251
flat angles C4'-P-C4' energy: -93.658
flat angles P-C4'-P energy: -57.591
tors. eta vs tors. theta energy: -51.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -643.507357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.507357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.507357 (E_RNA)
where:
Base-Base interactions energy: -286.484
where: short stacking energy: -213.064
Base-Backbone interact. energy: 0.535
local terms energy: -357.558952
where:
bonds (distance) C4'-P energy: -78.848
bonds (distance) P-C4' energy: -90.622
flat angles C4'-P-C4' energy: -78.651
flat angles P-C4'-P energy: -53.915
tors. eta vs tors. theta energy: -55.523
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: 77
Temperature: 1.150000
Total energy: -486.471328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.471328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.471328 (E_RNA)
where:
Base-Base interactions energy: -186.213
where: short stacking energy: -149.940
Base-Backbone interact. energy: 3.372
local terms energy: -303.629993
where:
bonds (distance) C4'-P energy: -79.242
bonds (distance) P-C4' energy: -83.942
flat angles C4'-P-C4' energy: -82.322
flat angles P-C4'-P energy: -48.410
tors. eta vs tors. theta energy: -9.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -460.464651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.464651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.464651 (E_RNA)
where:
Base-Base interactions energy: -175.670
where: short stacking energy: -150.245
Base-Backbone interact. energy: -1.197
local terms energy: -283.597960
where:
bonds (distance) C4'-P energy: -74.954
bonds (distance) P-C4' energy: -86.694
flat angles C4'-P-C4' energy: -63.027
flat angles P-C4'-P energy: -57.523
tors. eta vs tors. theta energy: -1.399
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: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -421.722665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.722665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.722665 (E_RNA)
where:
Base-Base interactions energy: -132.914
where: short stacking energy: -92.646
Base-Backbone interact. energy: 2.335
local terms energy: -291.142907
where:
bonds (distance) C4'-P energy: -89.322
bonds (distance) P-C4' energy: -90.946
flat angles C4'-P-C4' energy: -84.761
flat angles P-C4'-P energy: -35.545
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: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -389.805758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.805758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.805758 (E_RNA)
where:
Base-Base interactions energy: -145.731
where: short stacking energy: -124.997
Base-Backbone interact. energy: -1.294
local terms energy: -242.780992
where:
bonds (distance) C4'-P energy: -66.368
bonds (distance) P-C4' energy: -63.958
flat angles C4'-P-C4' energy: -73.735
flat angles P-C4'-P energy: -32.870
tors. eta vs tors. theta energy: -5.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -328.940116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.940116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.940116 (E_RNA)
where:
Base-Base interactions energy: -93.613
where: short stacking energy: -68.717
Base-Backbone interact. energy: -3.202
local terms energy: -232.125180
where:
bonds (distance) C4'-P energy: -75.672
bonds (distance) P-C4' energy: -78.146
flat angles C4'-P-C4' energy: -68.097
flat angles P-C4'-P energy: -39.095
tors. eta vs tors. theta energy: 28.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1173.348981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.348981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.348981 (E_RNA)
where:
Base-Base interactions energy: -699.357
where: short stacking energy: -426.223
Base-Backbone interact. energy: -1.160
local terms energy: -472.832215
where:
bonds (distance) C4'-P energy: -86.827
bonds (distance) P-C4' energy: -91.224
flat angles C4'-P-C4' energy: -100.240
flat angles P-C4'-P energy: -64.936
tors. eta vs tors. theta energy: -129.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1020.374965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.374965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.374965 (E_RNA)
where:
Base-Base interactions energy: -582.227
where: short stacking energy: -335.527
Base-Backbone interact. energy: -1.794
local terms energy: -436.354586
where:
bonds (distance) C4'-P energy: -89.690
bonds (distance) P-C4' energy: -94.486
flat angles C4'-P-C4' energy: -102.013
flat angles P-C4'-P energy: -66.642
tors. eta vs tors. theta energy: -83.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -913.167177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.167177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.167177 (E_RNA)
where:
Base-Base interactions energy: -512.488
where: short stacking energy: -304.800
Base-Backbone interact. energy: -0.877
local terms energy: -399.802563
where:
bonds (distance) C4'-P energy: -82.595
bonds (distance) P-C4' energy: -100.827
flat angles C4'-P-C4' energy: -92.217
flat angles P-C4'-P energy: -53.913
tors. eta vs tors. theta energy: -70.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -810.551749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.551749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.551749 (E_RNA)
where:
Base-Base interactions energy: -420.844
where: short stacking energy: -262.489
Base-Backbone interact. energy: 0.579
local terms energy: -390.286789
where:
bonds (distance) C4'-P energy: -91.605
bonds (distance) P-C4' energy: -93.496
flat angles C4'-P-C4' energy: -81.785
flat angles P-C4'-P energy: -53.894
tors. eta vs tors. theta energy: -69.507
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: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -643.122110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.122110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.122110 (E_RNA)
where:
Base-Base interactions energy: -320.802
where: short stacking energy: -218.156
Base-Backbone interact. energy: -1.584
local terms energy: -320.736783
where:
bonds (distance) C4'-P energy: -73.247
bonds (distance) P-C4' energy: -89.011
flat angles C4'-P-C4' energy: -70.787
flat angles P-C4'-P energy: -50.552
tors. eta vs tors. theta energy: -37.140
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: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -487.681655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.681655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.681655 (E_RNA)
where:
Base-Base interactions energy: -179.941
where: short stacking energy: -174.371
Base-Backbone interact. energy: 0.507
local terms energy: -308.247778
where:
bonds (distance) C4'-P energy: -68.794
bonds (distance) P-C4' energy: -100.986
flat angles C4'-P-C4' energy: -73.736
flat angles P-C4'-P energy: -42.604
tors. eta vs tors. theta energy: -22.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -476.045042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.045042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.045042 (E_RNA)
where:
Base-Base interactions energy: -184.019
where: short stacking energy: -147.281
Base-Backbone interact. energy: -0.904
local terms energy: -291.121747
where:
bonds (distance) C4'-P energy: -76.455
bonds (distance) P-C4' energy: -80.812
flat angles C4'-P-C4' energy: -81.336
flat angles P-C4'-P energy: -40.130
tors. eta vs tors. theta energy: -12.390
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: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -403.830539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.830539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.830539 (E_RNA)
where:
Base-Base interactions energy: -141.286
where: short stacking energy: -126.583
Base-Backbone interact. energy: -0.482
local terms energy: -262.062467
where:
bonds (distance) C4'-P energy: -70.714
bonds (distance) P-C4' energy: -81.903
flat angles C4'-P-C4' energy: -60.964
flat angles P-C4'-P energy: -44.947
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -362.929065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.929065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.929065 (E_RNA)
where:
Base-Base interactions energy: -110.849
where: short stacking energy: -85.074
Base-Backbone interact. energy: -0.720
local terms energy: -251.359718
where:
bonds (distance) C4'-P energy: -78.195
bonds (distance) P-C4' energy: -86.916
flat angles C4'-P-C4' energy: -69.513
flat angles P-C4'-P energy: -37.588
tors. eta vs tors. theta energy: 20.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -354.194225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.194225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.194225 (E_RNA)
where:
Base-Base interactions energy: -101.384
where: short stacking energy: -93.590
Base-Backbone interact. energy: -1.438
local terms energy: -251.372929
where:
bonds (distance) C4'-P energy: -79.823
bonds (distance) P-C4' energy: -76.396
flat angles C4'-P-C4' energy: -65.256
flat angles P-C4'-P energy: -43.595
tors. eta vs tors. theta energy: 13.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1163.505961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.505961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.505961 (E_RNA)
where:
Base-Base interactions energy: -684.804
where: short stacking energy: -416.216
Base-Backbone interact. energy: -1.891
local terms energy: -476.810822
where:
bonds (distance) C4'-P energy: -102.241
bonds (distance) P-C4' energy: -92.379
flat angles C4'-P-C4' energy: -96.457
flat angles P-C4'-P energy: -72.411
tors. eta vs tors. theta energy: -113.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1060.009222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.009222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.009222 (E_RNA)
where:
Base-Base interactions energy: -600.856
where: short stacking energy: -363.714
Base-Backbone interact. energy: -0.623
local terms energy: -458.529707
where:
bonds (distance) C4'-P energy: -89.694
bonds (distance) P-C4' energy: -93.453
flat angles C4'-P-C4' energy: -101.709
flat angles P-C4'-P energy: -73.266
tors. eta vs tors. theta energy: -100.408
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: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -888.749293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.749293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.749293 (E_RNA)
where:
Base-Base interactions energy: -484.645
where: short stacking energy: -300.083
Base-Backbone interact. energy: 1.475
local terms energy: -405.579568
where:
bonds (distance) C4'-P energy: -78.095
bonds (distance) P-C4' energy: -92.080
flat angles C4'-P-C4' energy: -88.398
flat angles P-C4'-P energy: -69.993
tors. eta vs tors. theta energy: -77.014
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: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -799.643291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.643291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.643291 (E_RNA)
where:
Base-Base interactions energy: -424.256
where: short stacking energy: -259.899
Base-Backbone interact. energy: 0.818
local terms energy: -376.205170
where:
bonds (distance) C4'-P energy: -88.592
bonds (distance) P-C4' energy: -79.128
flat angles C4'-P-C4' energy: -94.123
flat angles P-C4'-P energy: -52.471
tors. eta vs tors. theta energy: -61.891
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: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -632.400477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.400477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.400477 (E_RNA)
where:
Base-Base interactions energy: -277.914
where: short stacking energy: -219.007
Base-Backbone interact. energy: 1.667
local terms energy: -356.152881
where:
bonds (distance) C4'-P energy: -87.464
bonds (distance) P-C4' energy: -78.065
flat angles C4'-P-C4' energy: -86.442
flat angles P-C4'-P energy: -56.058
tors. eta vs tors. theta energy: -48.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -507.358207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.358207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.358207 (E_RNA)
where:
Base-Base interactions energy: -210.963
where: short stacking energy: -177.744
Base-Backbone interact. energy: 2.982
local terms energy: -299.376606
where:
bonds (distance) C4'-P energy: -82.009
bonds (distance) P-C4' energy: -85.294
flat angles C4'-P-C4' energy: -72.236
flat angles P-C4'-P energy: -42.713
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -441.868180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.868180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.868180 (E_RNA)
where:
Base-Base interactions energy: -151.270
where: short stacking energy: -130.651
Base-Backbone interact. energy: -0.852
local terms energy: -289.745647
where:
bonds (distance) C4'-P energy: -84.947
bonds (distance) P-C4' energy: -69.441
flat angles C4'-P-C4' energy: -73.021
flat angles P-C4'-P energy: -57.990
tors. eta vs tors. theta energy: -4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -412.840592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.840592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.840592 (E_RNA)
where:
Base-Base interactions energy: -165.066
where: short stacking energy: -127.022
Base-Backbone interact. energy: 2.652
local terms energy: -250.426930
where:
bonds (distance) C4'-P energy: -52.941
bonds (distance) P-C4' energy: -99.013
flat angles C4'-P-C4' energy: -59.748
flat angles P-C4'-P energy: -33.091
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -379.264616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.264616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.264616 (E_RNA)
where:
Base-Base interactions energy: -132.033
where: short stacking energy: -116.555
Base-Backbone interact. energy: 1.202
local terms energy: -248.433602
where:
bonds (distance) C4'-P energy: -63.309
bonds (distance) P-C4' energy: -84.686
flat angles C4'-P-C4' energy: -68.209
flat angles P-C4'-P energy: -40.847
tors. eta vs tors. theta energy: 8.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -341.857029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.857029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.857029 (E_RNA)
where:
Base-Base interactions energy: -102.749
where: short stacking energy: -92.061
Base-Backbone interact. energy: -0.188
local terms energy: -238.919779
where:
bonds (distance) C4'-P energy: -79.718
bonds (distance) P-C4' energy: -87.886
flat angles C4'-P-C4' energy: -64.237
flat angles P-C4'-P energy: -29.602
tors. eta vs tors. theta energy: 22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1130.465123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.465123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.465123 (E_RNA)
where:
Base-Base interactions energy: -679.406
where: short stacking energy: -398.266
Base-Backbone interact. energy: 1.553
local terms energy: -452.612535
where:
bonds (distance) C4'-P energy: -95.773
bonds (distance) P-C4' energy: -96.373
flat angles C4'-P-C4' energy: -106.026
flat angles P-C4'-P energy: -48.132
tors. eta vs tors. theta energy: -106.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1057.012549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.012549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.012549 (E_RNA)
where:
Base-Base interactions energy: -608.058
where: short stacking energy: -343.601
Base-Backbone interact. energy: -0.516
local terms energy: -448.437851
where:
bonds (distance) C4'-P energy: -85.311
bonds (distance) P-C4' energy: -100.199
flat angles C4'-P-C4' energy: -101.863
flat angles P-C4'-P energy: -67.315
tors. eta vs tors. theta energy: -93.750
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: 80
Temperature: 1.000000
Total energy: -896.284891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.284891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.284891 (E_RNA)
where:
Base-Base interactions energy: -493.216
where: short stacking energy: -286.304
Base-Backbone interact. energy: -0.762
local terms energy: -402.307204
where:
bonds (distance) C4'-P energy: -79.296
bonds (distance) P-C4' energy: -91.378
flat angles C4'-P-C4' energy: -95.577
flat angles P-C4'-P energy: -62.981
tors. eta vs tors. theta energy: -73.075
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: 8
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -818.957208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.957208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.957208 (E_RNA)
where:
Base-Base interactions energy: -414.996
where: short stacking energy: -275.428
Base-Backbone interact. energy: -0.703
local terms energy: -403.258924
where:
bonds (distance) C4'-P energy: -82.612
bonds (distance) P-C4' energy: -89.444
flat angles C4'-P-C4' energy: -82.991
flat angles P-C4'-P energy: -74.445
tors. eta vs tors. theta energy: -73.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -644.151773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.151773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.151773 (E_RNA)
where:
Base-Base interactions energy: -315.112
where: short stacking energy: -241.243
Base-Backbone interact. energy: -0.488
local terms energy: -328.551465
where:
bonds (distance) C4'-P energy: -76.459
bonds (distance) P-C4' energy: -86.898
flat angles C4'-P-C4' energy: -75.236
flat angles P-C4'-P energy: -51.182
tors. eta vs tors. theta energy: -38.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -474.385320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.385320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.385320 (E_RNA)
where:
Base-Base interactions energy: -171.111
where: short stacking energy: -157.253
Base-Backbone interact. energy: -0.716
local terms energy: -302.558814
where:
bonds (distance) C4'-P energy: -90.116
bonds (distance) P-C4' energy: -77.890
flat angles C4'-P-C4' energy: -78.558
flat angles P-C4'-P energy: -48.373
tors. eta vs tors. theta energy: -7.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -446.660843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.660843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.660843 (E_RNA)
where:
Base-Base interactions energy: -186.011
where: short stacking energy: -143.262
Base-Backbone interact. energy: 0.404
local terms energy: -261.054266
where:
bonds (distance) C4'-P energy: -62.687
bonds (distance) P-C4' energy: -88.810
flat angles C4'-P-C4' energy: -74.006
flat angles P-C4'-P energy: -30.747
tors. eta vs tors. theta energy: -4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -417.739306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.739306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.739306 (E_RNA)
where:
Base-Base interactions energy: -141.835
where: short stacking energy: -125.649
Base-Backbone interact. energy: 3.296
local terms energy: -279.199803
where:
bonds (distance) C4'-P energy: -82.892
bonds (distance) P-C4' energy: -83.825
flat angles C4'-P-C4' energy: -77.873
flat angles P-C4'-P energy: -41.114
tors. eta vs tors. theta energy: 6.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -377.366954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.366954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.366954 (E_RNA)
where:
Base-Base interactions energy: -116.664
where: short stacking energy: -108.341
Base-Backbone interact. energy: 3.359
local terms energy: -264.062122
where:
bonds (distance) C4'-P energy: -56.561
bonds (distance) P-C4' energy: -87.257
flat angles C4'-P-C4' energy: -75.968
flat angles P-C4'-P energy: -55.650
tors. eta vs tors. theta energy: 11.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -344.585675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.585675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.585675 (E_RNA)
where:
Base-Base interactions energy: -121.083
where: short stacking energy: -94.224
Base-Backbone interact. energy: 3.668
local terms energy: -227.170361
where:
bonds (distance) C4'-P energy: -76.253
bonds (distance) P-C4' energy: -77.716
flat angles C4'-P-C4' energy: -58.951
flat angles P-C4'-P energy: -37.623
tors. eta vs tors. theta energy: 23.373
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: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1148.886685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.886685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.886685 (E_RNA)
where:
Base-Base interactions energy: -679.120
where: short stacking energy: -399.489
Base-Backbone interact. energy: -2.749
local terms energy: -467.018239
where:
bonds (distance) C4'-P energy: -88.565
bonds (distance) P-C4' energy: -97.474
flat angles C4'-P-C4' energy: -107.978
flat angles P-C4'-P energy: -66.557
tors. eta vs tors. theta energy: -106.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1033.515722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.515722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.515722 (E_RNA)
where:
Base-Base interactions energy: -590.294
where: short stacking energy: -354.459
Base-Backbone interact. energy: -1.958
local terms energy: -441.263670
where:
bonds (distance) C4'-P energy: -81.874
bonds (distance) P-C4' energy: -91.618
flat angles C4'-P-C4' energy: -93.314
flat angles P-C4'-P energy: -72.905
tors. eta vs tors. theta energy: -101.553
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: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -925.228672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.228672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.228672 (E_RNA)
where:
Base-Base interactions energy: -517.195
where: short stacking energy: -306.635
Base-Backbone interact. energy: -0.196
local terms energy: -407.836988
where:
bonds (distance) C4'-P energy: -82.596
bonds (distance) P-C4' energy: -86.004
flat angles C4'-P-C4' energy: -101.974
flat angles P-C4'-P energy: -52.249
tors. eta vs tors. theta energy: -85.014
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: 8
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -849.031237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.031237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.031237 (E_RNA)
where:
Base-Base interactions energy: -449.266
where: short stacking energy: -280.652
Base-Backbone interact. energy: -1.609
local terms energy: -398.156607
where:
bonds (distance) C4'-P energy: -92.739
bonds (distance) P-C4' energy: -85.576
flat angles C4'-P-C4' energy: -91.465
flat angles P-C4'-P energy: -49.385
tors. eta vs tors. theta energy: -78.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -638.199986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.199986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.199986 (E_RNA)
where:
Base-Base interactions energy: -299.265
where: short stacking energy: -228.119
Base-Backbone interact. energy: 0.366
local terms energy: -339.301783
where:
bonds (distance) C4'-P energy: -74.110
bonds (distance) P-C4' energy: -97.319
flat angles C4'-P-C4' energy: -75.029
flat angles P-C4'-P energy: -52.686
tors. eta vs tors. theta energy: -40.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -510.030412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.030412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.030412 (E_RNA)
where:
Base-Base interactions energy: -211.384
where: short stacking energy: -148.062
Base-Backbone interact. energy: 5.385
local terms energy: -304.031527
where:
bonds (distance) C4'-P energy: -75.195
bonds (distance) P-C4' energy: -95.533
flat angles C4'-P-C4' energy: -81.374
flat angles P-C4'-P energy: -41.279
tors. eta vs tors. theta energy: -10.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -464.908608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.908608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.908608 (E_RNA)
where:
Base-Base interactions energy: -154.874
where: short stacking energy: -134.945
Base-Backbone interact. energy: 3.166
local terms energy: -313.200402
where:
bonds (distance) C4'-P energy: -69.187
bonds (distance) P-C4' energy: -82.613
flat angles C4'-P-C4' energy: -82.748
flat angles P-C4'-P energy: -59.882
tors. eta vs tors. theta energy: -18.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -407.598994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.598994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.598994 (E_RNA)
where:
Base-Base interactions energy: -147.256
where: short stacking energy: -128.421
Base-Backbone interact. energy: 1.187
local terms energy: -261.530370
where:
bonds (distance) C4'-P energy: -64.754
bonds (distance) P-C4' energy: -70.961
flat angles C4'-P-C4' energy: -76.603
flat angles P-C4'-P energy: -54.611
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: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -382.780178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.780178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.780178 (E_RNA)
where:
Base-Base interactions energy: -125.644
where: short stacking energy: -102.265
Base-Backbone interact. energy: 2.968
local terms energy: -260.104035
where:
bonds (distance) C4'-P energy: -67.146
bonds (distance) P-C4' energy: -78.139
flat angles C4'-P-C4' energy: -72.667
flat angles P-C4'-P energy: -54.117
tors. eta vs tors. theta energy: 11.965
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: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -339.824564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.824564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.824564 (E_RNA)
where:
Base-Base interactions energy: -115.090
where: short stacking energy: -92.630
Base-Backbone interact. energy: 1.537
local terms energy: -226.272333
where:
bonds (distance) C4'-P energy: -58.400
bonds (distance) P-C4' energy: -76.060
flat angles C4'-P-C4' energy: -61.282
flat angles P-C4'-P energy: -43.265
tors. eta vs tors. theta energy: 12.735
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: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1122.817682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.817682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.817682 (E_RNA)
where:
Base-Base interactions energy: -652.825
where: short stacking energy: -401.742
Base-Backbone interact. energy: -1.598
local terms energy: -468.394958
where:
bonds (distance) C4'-P energy: -83.637
bonds (distance) P-C4' energy: -88.731
flat angles C4'-P-C4' energy: -101.484
flat angles P-C4'-P energy: -76.872
tors. eta vs tors. theta energy: -117.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1047.319884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.319884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.319884 (E_RNA)
where:
Base-Base interactions energy: -591.521
where: short stacking energy: -359.409
Base-Backbone interact. energy: -2.019
local terms energy: -453.780001
where:
bonds (distance) C4'-P energy: -89.619
bonds (distance) P-C4' energy: -96.476
flat angles C4'-P-C4' energy: -95.992
flat angles P-C4'-P energy: -66.836
tors. eta vs tors. theta energy: -104.857
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: 8
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -883.487920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.487920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.487920 (E_RNA)
where:
Base-Base interactions energy: -480.713
where: short stacking energy: -327.959
Base-Backbone interact. energy: 0.464
local terms energy: -403.239071
where:
bonds (distance) C4'-P energy: -85.191
bonds (distance) P-C4' energy: -71.573
flat angles C4'-P-C4' energy: -85.436
flat angles P-C4'-P energy: -66.955
tors. eta vs tors. theta energy: -94.083
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: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -850.863395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.863395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.863395 (E_RNA)
where:
Base-Base interactions energy: -479.740
where: short stacking energy: -275.500
Base-Backbone interact. energy: -0.781
local terms energy: -370.342604
where:
bonds (distance) C4'-P energy: -76.109
bonds (distance) P-C4' energy: -87.743
flat angles C4'-P-C4' energy: -88.175
flat angles P-C4'-P energy: -51.547
tors. eta vs tors. theta energy: -66.769
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: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -629.469888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.469888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.469888 (E_RNA)
where:
Base-Base interactions energy: -299.578
where: short stacking energy: -235.371
Base-Backbone interact. energy: -0.685
local terms energy: -329.206825
where:
bonds (distance) C4'-P energy: -78.760
bonds (distance) P-C4' energy: -93.710
flat angles C4'-P-C4' energy: -75.768
flat angles P-C4'-P energy: -39.024
tors. eta vs tors. theta energy: -41.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -538.274999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.274999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.274999 (E_RNA)
where:
Base-Base interactions energy: -222.994
where: short stacking energy: -174.881
Base-Backbone interact. energy: -1.916
local terms energy: -313.364878
where:
bonds (distance) C4'-P energy: -78.075
bonds (distance) P-C4' energy: -83.609
flat angles C4'-P-C4' energy: -70.739
flat angles P-C4'-P energy: -48.439
tors. eta vs tors. theta energy: -32.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -472.738784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.738784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.738784 (E_RNA)
where:
Base-Base interactions energy: -171.551
where: short stacking energy: -163.731
Base-Backbone interact. energy: 0.082
local terms energy: -301.269373
where:
bonds (distance) C4'-P energy: -82.938
bonds (distance) P-C4' energy: -78.786
flat angles C4'-P-C4' energy: -69.200
flat angles P-C4'-P energy: -53.030
tors. eta vs tors. theta energy: -17.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -437.253048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.253048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.253048 (E_RNA)
where:
Base-Base interactions energy: -152.405
where: short stacking energy: -113.337
Base-Backbone interact. energy: -1.350
local terms energy: -283.498532
where:
bonds (distance) C4'-P energy: -81.669
bonds (distance) P-C4' energy: -84.160
flat angles C4'-P-C4' energy: -74.495
flat angles P-C4'-P energy: -47.508
tors. eta vs tors. theta energy: 4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -372.700385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.700385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.700385 (E_RNA)
where:
Base-Base interactions energy: -88.349
where: short stacking energy: -85.166
Base-Backbone interact. energy: 1.625
local terms energy: -285.976718
where:
bonds (distance) C4'-P energy: -91.922
bonds (distance) P-C4' energy: -77.544
flat angles C4'-P-C4' energy: -84.141
flat angles P-C4'-P energy: -45.953
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: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -355.578082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.578082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.578082 (E_RNA)
where:
Base-Base interactions energy: -96.598
where: short stacking energy: -94.974
Base-Backbone interact. energy: 0.216
local terms energy: -259.195844
where:
bonds (distance) C4'-P energy: -86.719
bonds (distance) P-C4' energy: -71.561
flat angles C4'-P-C4' energy: -64.306
flat angles P-C4'-P energy: -51.440
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: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1140.608765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.608765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.608765 (E_RNA)
where:
Base-Base interactions energy: -670.435
where: short stacking energy: -378.792
Base-Backbone interact. energy: -0.645
local terms energy: -469.529260
where:
bonds (distance) C4'-P energy: -86.163
bonds (distance) P-C4' energy: -97.001
flat angles C4'-P-C4' energy: -109.214
flat angles P-C4'-P energy: -64.526
tors. eta vs tors. theta energy: -112.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1016.751986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.751986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.751986 (E_RNA)
where:
Base-Base interactions energy: -580.773
where: short stacking energy: -339.357
Base-Backbone interact. energy: -2.552
local terms energy: -433.426428
where:
bonds (distance) C4'-P energy: -92.847
bonds (distance) P-C4' energy: -101.272
flat angles C4'-P-C4' energy: -91.963
flat angles P-C4'-P energy: -62.224
tors. eta vs tors. theta energy: -85.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -851.620507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.620507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.620507 (E_RNA)
where:
Base-Base interactions energy: -459.137
where: short stacking energy: -271.337
Base-Backbone interact. energy: 0.630
local terms energy: -393.113964
where:
bonds (distance) C4'-P energy: -88.936
bonds (distance) P-C4' energy: -98.511
flat angles C4'-P-C4' energy: -85.892
flat angles P-C4'-P energy: -58.281
tors. eta vs tors. theta energy: -61.493
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: 4, replica: 7
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -839.504271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.504271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.504271 (E_RNA)
where:
Base-Base interactions energy: -477.514
where: short stacking energy: -265.318
Base-Backbone interact. energy: 2.227
local terms energy: -364.216869
where:
bonds (distance) C4'-P energy: -86.150
bonds (distance) P-C4' energy: -83.639
flat angles C4'-P-C4' energy: -89.050
flat angles P-C4'-P energy: -59.909
tors. eta vs tors. theta energy: -45.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -583.767507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.767507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.767507 (E_RNA)
where:
Base-Base interactions energy: -261.510
where: short stacking energy: -197.571
Base-Backbone interact. energy: -0.777
local terms energy: -321.480310
where:
bonds (distance) C4'-P energy: -87.165
bonds (distance) P-C4' energy: -79.911
flat angles C4'-P-C4' energy: -83.497
flat angles P-C4'-P energy: -45.442
tors. eta vs tors. theta energy: -25.466
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: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -465.706984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.706984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.706984 (E_RNA)
where:
Base-Base interactions energy: -167.871
where: short stacking energy: -154.450
Base-Backbone interact. energy: 0.504
local terms energy: -298.340162
where:
bonds (distance) C4'-P energy: -82.071
bonds (distance) P-C4' energy: -94.008
flat angles C4'-P-C4' energy: -79.378
flat angles P-C4'-P energy: -40.713
tors. eta vs tors. theta energy: -2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -465.636310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.636310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.636310 (E_RNA)
where:
Base-Base interactions energy: -180.121
where: short stacking energy: -139.770
Base-Backbone interact. energy: 0.050
local terms energy: -285.565367
where:
bonds (distance) C4'-P energy: -70.988
bonds (distance) P-C4' energy: -88.586
flat angles C4'-P-C4' energy: -66.925
flat angles P-C4'-P energy: -57.148
tors. eta vs tors. theta energy: -1.919
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: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -405.441011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.441011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.441011 (E_RNA)
where:
Base-Base interactions energy: -150.489
where: short stacking energy: -135.208
Base-Backbone interact. energy: 3.227
local terms energy: -258.179044
where:
bonds (distance) C4'-P energy: -73.746
bonds (distance) P-C4' energy: -75.189
flat angles C4'-P-C4' energy: -79.184
flat angles P-C4'-P energy: -42.684
tors. eta vs tors. theta energy: 12.624
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: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -380.514896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.514896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.514896 (E_RNA)
where:
Base-Base interactions energy: -113.800
where: short stacking energy: -104.705
Base-Backbone interact. energy: 0.143
local terms energy: -266.857757
where:
bonds (distance) C4'-P energy: -85.554
bonds (distance) P-C4' energy: -79.852
flat angles C4'-P-C4' energy: -64.053
flat angles P-C4'-P energy: -44.453
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: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -360.320090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.320090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.320090 (E_RNA)
where:
Base-Base interactions energy: -127.532
where: short stacking energy: -104.648
Base-Backbone interact. energy: 2.635
local terms energy: -235.422553
where:
bonds (distance) C4'-P energy: -60.140
bonds (distance) P-C4' energy: -79.373
flat angles C4'-P-C4' energy: -60.227
flat angles P-C4'-P energy: -43.828
tors. eta vs tors. theta energy: 8.146
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: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1162.008647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.008647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.008647 (E_RNA)
where:
Base-Base interactions energy: -704.404
where: short stacking energy: -415.720
Base-Backbone interact. energy: 0.700
local terms energy: -458.304524
where:
bonds (distance) C4'-P energy: -83.008
bonds (distance) P-C4' energy: -93.035
flat angles C4'-P-C4' energy: -102.724
flat angles P-C4'-P energy: -69.403
tors. eta vs tors. theta energy: -110.134
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: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1015.887587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.887587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.887587 (E_RNA)
where:
Base-Base interactions energy: -578.012
where: short stacking energy: -348.400
Base-Backbone interact. energy: -0.412
local terms energy: -437.463238
where:
bonds (distance) C4'-P energy: -86.690
bonds (distance) P-C4' energy: -90.339
flat angles C4'-P-C4' energy: -89.804
flat angles P-C4'-P energy: -67.254
tors. eta vs tors. theta energy: -103.377
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: 3, replica: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -854.878446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.878446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.878446 (E_RNA)
where:
Base-Base interactions energy: -433.714
where: short stacking energy: -300.022
Base-Backbone interact. energy: 0.937
local terms energy: -422.101652
where:
bonds (distance) C4'-P energy: -87.446
bonds (distance) P-C4' energy: -99.511
flat angles C4'-P-C4' energy: -95.458
flat angles P-C4'-P energy: -62.606
tors. eta vs tors. theta energy: -77.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -846.834461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.834461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.834461 (E_RNA)
where:
Base-Base interactions energy: -478.035
where: short stacking energy: -283.123
Base-Backbone interact. energy: -0.897
local terms energy: -367.902077
where:
bonds (distance) C4'-P energy: -82.091
bonds (distance) P-C4' energy: -89.116
flat angles C4'-P-C4' energy: -88.778
flat angles P-C4'-P energy: -55.210
tors. eta vs tors. theta energy: -52.707
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: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -618.996934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.996934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.996934 (E_RNA)
where:
Base-Base interactions energy: -255.787
where: short stacking energy: -216.205
Base-Backbone interact. energy: 1.105
local terms energy: -364.314869
where:
bonds (distance) C4'-P energy: -85.098
bonds (distance) P-C4' energy: -98.842
flat angles C4'-P-C4' energy: -88.216
flat angles P-C4'-P energy: -61.953
tors. eta vs tors. theta energy: -30.206
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: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -477.959794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.959794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.959794 (E_RNA)
where:
Base-Base interactions energy: -157.741
where: short stacking energy: -145.397
Base-Backbone interact. energy: -0.370
local terms energy: -319.848683
where:
bonds (distance) C4'-P energy: -85.137
bonds (distance) P-C4' energy: -88.530
flat angles C4'-P-C4' energy: -89.502
flat angles P-C4'-P energy: -33.886
tors. eta vs tors. theta energy: -22.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -466.423719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.423719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.423719 (E_RNA)
where:
Base-Base interactions energy: -166.409
where: short stacking energy: -129.389
Base-Backbone interact. energy: 2.262
local terms energy: -302.276222
where:
bonds (distance) C4'-P energy: -69.489
bonds (distance) P-C4' energy: -96.787
flat angles C4'-P-C4' energy: -67.588
flat angles P-C4'-P energy: -66.497
tors. eta vs tors. theta energy: -1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -412.231277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.231277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.231277 (E_RNA)
where:
Base-Base interactions energy: -149.375
where: short stacking energy: -124.345
Base-Backbone interact. energy: -1.408
local terms energy: -261.448511
where:
bonds (distance) C4'-P energy: -75.323
bonds (distance) P-C4' energy: -72.049
flat angles C4'-P-C4' energy: -73.301
flat angles P-C4'-P energy: -37.682
tors. eta vs tors. theta energy: -3.093
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: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -372.642512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.642512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.642512 (E_RNA)
where:
Base-Base interactions energy: -119.983
where: short stacking energy: -111.421
Base-Backbone interact. energy: -1.610
local terms energy: -251.049414
where:
bonds (distance) C4'-P energy: -60.743
bonds (distance) P-C4' energy: -84.259
flat angles C4'-P-C4' energy: -74.436
flat angles P-C4'-P energy: -42.606
tors. eta vs tors. theta energy: 10.994
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: 84
Temperature: 1.350000
Total energy: -371.601674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.601674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.601674 (E_RNA)
where:
Base-Base interactions energy: -127.189
where: short stacking energy: -101.836
Base-Backbone interact. energy: 0.389
local terms energy: -244.801376
where:
bonds (distance) C4'-P energy: -79.751
bonds (distance) P-C4' energy: -84.078
flat angles C4'-P-C4' energy: -56.748
flat angles P-C4'-P energy: -34.031
tors. eta vs tors. theta energy: 9.807
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: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1124.825837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.825837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.825837 (E_RNA)
where:
Base-Base interactions energy: -650.666
where: short stacking energy: -397.401
Base-Backbone interact. energy: -1.965
local terms energy: -472.195008
where:
bonds (distance) C4'-P energy: -104.307
bonds (distance) P-C4' energy: -97.666
flat angles C4'-P-C4' energy: -96.404
flat angles P-C4'-P energy: -60.036
tors. eta vs tors. theta energy: -113.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1068.957093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.957093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.957093 (E_RNA)
where:
Base-Base interactions energy: -635.784
where: short stacking energy: -365.176
Base-Backbone interact. energy: 0.812
local terms energy: -433.984501
where:
bonds (distance) C4'-P energy: -84.320
bonds (distance) P-C4' energy: -103.624
flat angles C4'-P-C4' energy: -98.089
flat angles P-C4'-P energy: -50.947
tors. eta vs tors. theta energy: -97.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -884.973645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.973645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.973645 (E_RNA)
where:
Base-Base interactions energy: -468.677
where: short stacking energy: -302.569
Base-Backbone interact. energy: -1.636
local terms energy: -414.660198
where:
bonds (distance) C4'-P energy: -82.863
bonds (distance) P-C4' energy: -102.214
flat angles C4'-P-C4' energy: -95.189
flat angles P-C4'-P energy: -53.268
tors. eta vs tors. theta energy: -81.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -863.647035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.647035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.647035 (E_RNA)
where:
Base-Base interactions energy: -482.270
where: short stacking energy: -297.029
Base-Backbone interact. energy: -1.734
local terms energy: -379.643262
where:
bonds (distance) C4'-P energy: -80.663
bonds (distance) P-C4' energy: -89.510
flat angles C4'-P-C4' energy: -83.506
flat angles P-C4'-P energy: -57.862
tors. eta vs tors. theta energy: -68.103
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: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -590.748729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.748729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.748729 (E_RNA)
where:
Base-Base interactions energy: -258.939
where: short stacking energy: -177.681
Base-Backbone interact. energy: 1.048
local terms energy: -332.857476
where:
bonds (distance) C4'-P energy: -81.179
bonds (distance) P-C4' energy: -99.144
flat angles C4'-P-C4' energy: -79.485
flat angles P-C4'-P energy: -57.275
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -509.482426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.482426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.482426 (E_RNA)
where:
Base-Base interactions energy: -187.099
where: short stacking energy: -160.859
Base-Backbone interact. energy: -1.690
local terms energy: -320.693325
where:
bonds (distance) C4'-P energy: -88.238
bonds (distance) P-C4' energy: -95.668
flat angles C4'-P-C4' energy: -82.168
flat angles P-C4'-P energy: -32.960
tors. eta vs tors. theta energy: -21.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -465.379017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.379017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.379017 (E_RNA)
where:
Base-Base interactions energy: -186.489
where: short stacking energy: -122.986
Base-Backbone interact. energy: -2.046
local terms energy: -276.844221
where:
bonds (distance) C4'-P energy: -80.944
bonds (distance) P-C4' energy: -88.193
flat angles C4'-P-C4' energy: -54.714
flat angles P-C4'-P energy: -46.756
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: 8, replica: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -422.342128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.342128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.342128 (E_RNA)
where:
Base-Base interactions energy: -142.056
where: short stacking energy: -118.973
Base-Backbone interact. energy: 2.683
local terms energy: -282.969385
where:
bonds (distance) C4'-P energy: -69.736
bonds (distance) P-C4' energy: -80.657
flat angles C4'-P-C4' energy: -81.038
flat angles P-C4'-P energy: -45.090
tors. eta vs tors. theta energy: -6.448
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: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -412.946918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.946918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.946918 (E_RNA)
where:
Base-Base interactions energy: -144.908
where: short stacking energy: -112.150
Base-Backbone interact. energy: -2.029
local terms energy: -266.009741
where:
bonds (distance) C4'-P energy: -87.759
bonds (distance) P-C4' energy: -80.283
flat angles C4'-P-C4' energy: -68.328
flat angles P-C4'-P energy: -33.670
tors. eta vs tors. theta energy: 4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -352.116514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.116514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.116514 (E_RNA)
where:
Base-Base interactions energy: -116.675
where: short stacking energy: -101.040
Base-Backbone interact. energy: 1.275
local terms energy: -236.716519
where:
bonds (distance) C4'-P energy: -83.918
bonds (distance) P-C4' energy: -85.826
flat angles C4'-P-C4' energy: -48.991
flat angles P-C4'-P energy: -26.969
tors. eta vs tors. theta energy: 8.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1158.478804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.478804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.478804 (E_RNA)
where:
Base-Base interactions energy: -696.351
where: short stacking energy: -411.962
Base-Backbone interact. energy: -2.730
local terms energy: -459.398516
where:
bonds (distance) C4'-P energy: -95.807
bonds (distance) P-C4' energy: -96.051
flat angles C4'-P-C4' energy: -96.667
flat angles P-C4'-P energy: -55.176
tors. eta vs tors. theta energy: -115.698
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: 86
Temperature: 0.950000
Total energy: -1088.361652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.361652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.361652 (E_RNA)
where:
Base-Base interactions energy: -652.175
where: short stacking energy: -388.124
Base-Backbone interact. energy: -1.596
local terms energy: -434.590596
where:
bonds (distance) C4'-P energy: -78.789
bonds (distance) P-C4' energy: -100.787
flat angles C4'-P-C4' energy: -91.742
flat angles P-C4'-P energy: -55.887
tors. eta vs tors. theta energy: -107.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -898.725628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.725628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.725628 (E_RNA)
where:
Base-Base interactions energy: -513.088
where: short stacking energy: -310.516
Base-Backbone interact. energy: -0.605
local terms energy: -385.032966
where:
bonds (distance) C4'-P energy: -85.278
bonds (distance) P-C4' energy: -92.404
flat angles C4'-P-C4' energy: -83.769
flat angles P-C4'-P energy: -50.386
tors. eta vs tors. theta energy: -73.196
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: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -794.839773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.839773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.839773 (E_RNA)
where:
Base-Base interactions energy: -423.154
where: short stacking energy: -267.185
Base-Backbone interact. energy: -1.250
local terms energy: -370.435635
where:
bonds (distance) C4'-P energy: -82.551
bonds (distance) P-C4' energy: -87.199
flat angles C4'-P-C4' energy: -90.018
flat angles P-C4'-P energy: -54.529
tors. eta vs tors. theta energy: -56.138
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: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -612.648410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.648410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.648410 (E_RNA)
where:
Base-Base interactions energy: -274.391
where: short stacking energy: -184.467
Base-Backbone interact. energy: -0.290
local terms energy: -337.967011
where:
bonds (distance) C4'-P energy: -95.715
bonds (distance) P-C4' energy: -82.453
flat angles C4'-P-C4' energy: -76.232
flat angles P-C4'-P energy: -63.100
tors. eta vs tors. theta energy: -20.466
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: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -499.045713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.045713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.045713 (E_RNA)
where:
Base-Base interactions energy: -194.129
where: short stacking energy: -159.020
Base-Backbone interact. energy: -1.193
local terms energy: -303.723874
where:
bonds (distance) C4'-P energy: -63.794
bonds (distance) P-C4' energy: -92.982
flat angles C4'-P-C4' energy: -82.741
flat angles P-C4'-P energy: -53.855
tors. eta vs tors. theta energy: -10.351
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: 7, replica: 5
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -457.592474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.592474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.592474 (E_RNA)
where:
Base-Base interactions energy: -167.323
where: short stacking energy: -157.202
Base-Backbone interact. energy: -1.731
local terms energy: -288.537969
where:
bonds (distance) C4'-P energy: -68.393
bonds (distance) P-C4' energy: -78.737
flat angles C4'-P-C4' energy: -77.090
flat angles P-C4'-P energy: -46.934
tors. eta vs tors. theta energy: -17.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -420.229190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.229190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.229190 (E_RNA)
where:
Base-Base interactions energy: -145.421
where: short stacking energy: -128.014
Base-Backbone interact. energy: 7.101
local terms energy: -281.909458
where:
bonds (distance) C4'-P energy: -73.892
bonds (distance) P-C4' energy: -79.515
flat angles C4'-P-C4' energy: -77.266
flat angles P-C4'-P energy: -47.580
tors. eta vs tors. theta energy: -3.657
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: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -467.539240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.539240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.539240 (E_RNA)
where:
Base-Base interactions energy: -200.729
where: short stacking energy: -125.002
Base-Backbone interact. energy: 0.084
local terms energy: -266.894141
where:
bonds (distance) C4'-P energy: -66.758
bonds (distance) P-C4' energy: -69.355
flat angles C4'-P-C4' energy: -72.789
flat angles P-C4'-P energy: -43.296
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -362.813355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.813355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.813355 (E_RNA)
where:
Base-Base interactions energy: -144.264
where: short stacking energy: -133.942
Base-Backbone interact. energy: -1.631
local terms energy: -216.918449
where:
bonds (distance) C4'-P energy: -67.790
bonds (distance) P-C4' energy: -62.446
flat angles C4'-P-C4' energy: -49.781
flat angles P-C4'-P energy: -33.648
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1169.914488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.914488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.914488 (E_RNA)
where:
Base-Base interactions energy: -695.581
where: short stacking energy: -427.346
Base-Backbone interact. energy: -0.071
local terms energy: -474.262130
where:
bonds (distance) C4'-P energy: -98.834
bonds (distance) P-C4' energy: -93.666
flat angles C4'-P-C4' energy: -99.174
flat angles P-C4'-P energy: -61.254
tors. eta vs tors. theta energy: -121.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1094.247523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.247523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.247523 (E_RNA)
where:
Base-Base interactions energy: -654.655
where: short stacking energy: -376.567
Base-Backbone interact. energy: -1.219
local terms energy: -438.373163
where:
bonds (distance) C4'-P energy: -82.170
bonds (distance) P-C4' energy: -98.941
flat angles C4'-P-C4' energy: -89.143
flat angles P-C4'-P energy: -62.228
tors. eta vs tors. theta energy: -105.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -891.124941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.124941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.124941 (E_RNA)
where:
Base-Base interactions energy: -510.074
where: short stacking energy: -295.788
Base-Backbone interact. energy: 3.040
local terms energy: -384.090431
where:
bonds (distance) C4'-P energy: -87.590
bonds (distance) P-C4' energy: -75.721
flat angles C4'-P-C4' energy: -100.475
flat angles P-C4'-P energy: -60.368
tors. eta vs tors. theta energy: -59.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -770.377759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.377759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.377759 (E_RNA)
where:
Base-Base interactions energy: -400.884
where: short stacking energy: -264.009
Base-Backbone interact. energy: -0.631
local terms energy: -368.862241
where:
bonds (distance) C4'-P energy: -87.037
bonds (distance) P-C4' energy: -84.455
flat angles C4'-P-C4' energy: -87.931
flat angles P-C4'-P energy: -50.068
tors. eta vs tors. theta energy: -59.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -642.999321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.999321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.999321 (E_RNA)
where:
Base-Base interactions energy: -313.793
where: short stacking energy: -210.900
Base-Backbone interact. energy: -0.798
local terms energy: -328.408830
where:
bonds (distance) C4'-P energy: -78.031
bonds (distance) P-C4' energy: -90.416
flat angles C4'-P-C4' energy: -72.674
flat angles P-C4'-P energy: -46.975
tors. eta vs tors. theta energy: -40.313
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: 87
Temperature: 1.150000
Total energy: -501.463074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.463074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.463074 (E_RNA)
where:
Base-Base interactions energy: -179.356
where: short stacking energy: -156.575
Base-Backbone interact. energy: 0.477
local terms energy: -322.583727
where:
bonds (distance) C4'-P energy: -77.118
bonds (distance) P-C4' energy: -92.609
flat angles C4'-P-C4' energy: -71.073
flat angles P-C4'-P energy: -68.933
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: 7, replica: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -435.456717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.456717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.456717 (E_RNA)
where:
Base-Base interactions energy: -168.776
where: short stacking energy: -135.105
Base-Backbone interact. energy: 2.243
local terms energy: -268.923733
where:
bonds (distance) C4'-P energy: -61.524
bonds (distance) P-C4' energy: -77.428
flat angles C4'-P-C4' energy: -74.530
flat angles P-C4'-P energy: -47.541
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: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -414.812506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.812506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.812506 (E_RNA)
where:
Base-Base interactions energy: -133.958
where: short stacking energy: -126.103
Base-Backbone interact. energy: 0.720
local terms energy: -281.574205
where:
bonds (distance) C4'-P energy: -84.978
bonds (distance) P-C4' energy: -94.843
flat angles C4'-P-C4' energy: -62.966
flat angles P-C4'-P energy: -32.197
tors. eta vs tors. theta energy: -6.590
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: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -402.621034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.621034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.621034 (E_RNA)
where:
Base-Base interactions energy: -122.026
where: short stacking energy: -110.207
Base-Backbone interact. energy: 0.545
local terms energy: -281.139848
where:
bonds (distance) C4'-P energy: -70.734
bonds (distance) P-C4' energy: -84.812
flat angles C4'-P-C4' energy: -91.199
flat angles P-C4'-P energy: -51.675
tors. eta vs tors. theta energy: 17.280
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: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -373.565553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.565553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.565553 (E_RNA)
where:
Base-Base interactions energy: -114.159
where: short stacking energy: -102.109
Base-Backbone interact. energy: -1.587
local terms energy: -257.819346
where:
bonds (distance) C4'-P energy: -78.143
bonds (distance) P-C4' energy: -90.839
flat angles C4'-P-C4' energy: -61.049
flat angles P-C4'-P energy: -31.005
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: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1174.321192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.321192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.321192 (E_RNA)
where:
Base-Base interactions energy: -679.276
where: short stacking energy: -438.936
Base-Backbone interact. energy: -2.372
local terms energy: -492.673530
where:
bonds (distance) C4'-P energy: -84.155
bonds (distance) P-C4' energy: -98.100
flat angles C4'-P-C4' energy: -111.943
flat angles P-C4'-P energy: -68.427
tors. eta vs tors. theta energy: -130.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1103.179263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.179263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.179263 (E_RNA)
where:
Base-Base interactions energy: -663.073
where: short stacking energy: -367.491
Base-Backbone interact. energy: -2.812
local terms energy: -437.293997
where:
bonds (distance) C4'-P energy: -93.249
bonds (distance) P-C4' energy: -98.213
flat angles C4'-P-C4' energy: -86.603
flat angles P-C4'-P energy: -54.832
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: 88
Temperature: 1.000000
Total energy: -920.596511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.596511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.596511 (E_RNA)
where:
Base-Base interactions energy: -526.839
where: short stacking energy: -322.545
Base-Backbone interact. energy: 0.317
local terms energy: -394.075139
where:
bonds (distance) C4'-P energy: -85.302
bonds (distance) P-C4' energy: -88.836
flat angles C4'-P-C4' energy: -88.452
flat angles P-C4'-P energy: -57.975
tors. eta vs tors. theta energy: -73.511
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: 8
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -765.735279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.735279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.735279 (E_RNA)
where:
Base-Base interactions energy: -381.180
where: short stacking energy: -234.036
Base-Backbone interact. energy: 0.748
local terms energy: -385.303057
where:
bonds (distance) C4'-P energy: -92.990
bonds (distance) P-C4' energy: -90.478
flat angles C4'-P-C4' energy: -92.155
flat angles P-C4'-P energy: -54.425
tors. eta vs tors. theta energy: -55.255
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: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -644.121888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.121888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.121888 (E_RNA)
where:
Base-Base interactions energy: -285.678
where: short stacking energy: -192.868
Base-Backbone interact. energy: 4.195
local terms energy: -362.639073
where:
bonds (distance) C4'-P energy: -93.622
bonds (distance) P-C4' energy: -90.840
flat angles C4'-P-C4' energy: -90.455
flat angles P-C4'-P energy: -53.607
tors. eta vs tors. theta energy: -34.115
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: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -531.382404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.382404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.382404 (E_RNA)
where:
Base-Base interactions energy: -223.915
where: short stacking energy: -178.426
Base-Backbone interact. energy: -1.613
local terms energy: -305.854598
where:
bonds (distance) C4'-P energy: -72.247
bonds (distance) P-C4' energy: -91.943
flat angles C4'-P-C4' energy: -66.739
flat angles P-C4'-P energy: -53.691
tors. eta vs tors. theta energy: -21.235
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: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -469.386771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.386771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.386771 (E_RNA)
where:
Base-Base interactions energy: -156.185
where: short stacking energy: -139.249
Base-Backbone interact. energy: -0.520
local terms energy: -312.682092
where:
bonds (distance) C4'-P energy: -84.979
bonds (distance) P-C4' energy: -83.126
flat angles C4'-P-C4' energy: -77.696
flat angles P-C4'-P energy: -55.210
tors. eta vs tors. theta energy: -11.670
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: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -404.005329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.005329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.005329 (E_RNA)
where:
Base-Base interactions energy: -135.435
where: short stacking energy: -125.067
Base-Backbone interact. energy: 0.796
local terms energy: -269.366050
where:
bonds (distance) C4'-P energy: -75.606
bonds (distance) P-C4' energy: -81.351
flat angles C4'-P-C4' energy: -72.725
flat angles P-C4'-P energy: -40.599
tors. eta vs tors. theta energy: 0.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -392.518727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.518727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.518727 (E_RNA)
where:
Base-Base interactions energy: -144.996
where: short stacking energy: -114.691
Base-Backbone interact. energy: 0.215
local terms energy: -247.737072
where:
bonds (distance) C4'-P energy: -81.116
bonds (distance) P-C4' energy: -67.693
flat angles C4'-P-C4' energy: -65.148
flat angles P-C4'-P energy: -44.364
tors. eta vs tors. theta energy: 10.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -354.867432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.867432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.867432 (E_RNA)
where:
Base-Base interactions energy: -99.638
where: short stacking energy: -92.756
Base-Backbone interact. energy: -0.265
local terms energy: -254.963711
where:
bonds (distance) C4'-P energy: -79.757
bonds (distance) P-C4' energy: -92.841
flat angles C4'-P-C4' energy: -55.831
flat angles P-C4'-P energy: -35.011
tors. eta vs tors. theta energy: 8.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1186.119449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.119449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.119449 (E_RNA)
where:
Base-Base interactions energy: -690.918
where: short stacking energy: -426.997
Base-Backbone interact. energy: -0.787
local terms energy: -494.414296
where:
bonds (distance) C4'-P energy: -94.814
bonds (distance) P-C4' energy: -85.068
flat angles C4'-P-C4' energy: -104.183
flat angles P-C4'-P energy: -77.752
tors. eta vs tors. theta energy: -132.597
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: 4
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1074.110287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.110287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.110287 (E_RNA)
where:
Base-Base interactions energy: -627.152
where: short stacking energy: -345.650
Base-Backbone interact. energy: -0.886
local terms energy: -446.071971
where:
bonds (distance) C4'-P energy: -89.897
bonds (distance) P-C4' energy: -95.845
flat angles C4'-P-C4' energy: -97.577
flat angles P-C4'-P energy: -71.616
tors. eta vs tors. theta energy: -91.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -900.572712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.572712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.572712 (E_RNA)
where:
Base-Base interactions energy: -501.882
where: short stacking energy: -309.350
Base-Backbone interact. energy: 0.622
local terms energy: -399.312576
where:
bonds (distance) C4'-P energy: -90.296
bonds (distance) P-C4' energy: -89.617
flat angles C4'-P-C4' energy: -87.902
flat angles P-C4'-P energy: -53.352
tors. eta vs tors. theta energy: -78.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -842.693582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.693582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.693582 (E_RNA)
where:
Base-Base interactions energy: -453.188
where: short stacking energy: -287.800
Base-Backbone interact. energy: -0.990
local terms energy: -388.515509
where:
bonds (distance) C4'-P energy: -79.479
bonds (distance) P-C4' energy: -98.691
flat angles C4'-P-C4' energy: -86.261
flat angles P-C4'-P energy: -60.132
tors. eta vs tors. theta energy: -63.953
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: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -665.898648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.898648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.898648 (E_RNA)
where:
Base-Base interactions energy: -304.024
where: short stacking energy: -204.538
Base-Backbone interact. energy: -1.978
local terms energy: -359.896321
where:
bonds (distance) C4'-P energy: -92.266
bonds (distance) P-C4' energy: -93.038
flat angles C4'-P-C4' energy: -100.067
flat angles P-C4'-P energy: -32.610
tors. eta vs tors. theta energy: -41.915
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: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -545.557942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.557942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.557942 (E_RNA)
where:
Base-Base interactions energy: -249.324
where: short stacking energy: -211.804
Base-Backbone interact. energy: -0.676
local terms energy: -295.557520
where:
bonds (distance) C4'-P energy: -75.510
bonds (distance) P-C4' energy: -87.349
flat angles C4'-P-C4' energy: -82.479
flat angles P-C4'-P energy: -21.670
tors. eta vs tors. theta energy: -28.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -458.981932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.981932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.981932 (E_RNA)
where:
Base-Base interactions energy: -168.586
where: short stacking energy: -147.215
Base-Backbone interact. energy: -0.334
local terms energy: -290.062307
where:
bonds (distance) C4'-P energy: -85.902
bonds (distance) P-C4' energy: -84.575
flat angles C4'-P-C4' energy: -56.214
flat angles P-C4'-P energy: -50.076
tors. eta vs tors. theta energy: -13.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -414.046678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.046678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.046678 (E_RNA)
where:
Base-Base interactions energy: -168.547
where: short stacking energy: -141.236
Base-Backbone interact. energy: 0.618
local terms energy: -246.118059
where:
bonds (distance) C4'-P energy: -81.318
bonds (distance) P-C4' energy: -74.125
flat angles C4'-P-C4' energy: -58.062
flat angles P-C4'-P energy: -31.934
tors. eta vs tors. theta energy: -0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -401.005253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.005253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.005253 (E_RNA)
where:
Base-Base interactions energy: -137.559
where: short stacking energy: -116.381
Base-Backbone interact. energy: 4.079
local terms energy: -267.526044
where:
bonds (distance) C4'-P energy: -71.545
bonds (distance) P-C4' energy: -86.176
flat angles C4'-P-C4' energy: -66.527
flat angles P-C4'-P energy: -47.892
tors. eta vs tors. theta energy: 4.614
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: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -349.143452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.143452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.143452 (E_RNA)
where:
Base-Base interactions energy: -92.315
where: short stacking energy: -86.680
Base-Backbone interact. energy: -1.410
local terms energy: -255.417756
where:
bonds (distance) C4'-P energy: -73.674
bonds (distance) P-C4' energy: -90.395
flat angles C4'-P-C4' energy: -59.133
flat angles P-C4'-P energy: -45.304
tors. eta vs tors. theta energy: 13.089
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: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1138.516889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.516889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.516889 (E_RNA)
where:
Base-Base interactions energy: -670.650
where: short stacking energy: -395.543
Base-Backbone interact. energy: -0.286
local terms energy: -467.580853
where:
bonds (distance) C4'-P energy: -92.427
bonds (distance) P-C4' energy: -82.613
flat angles C4'-P-C4' energy: -110.310
flat angles P-C4'-P energy: -66.602
tors. eta vs tors. theta energy: -115.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1066.218484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.218484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.218484 (E_RNA)
where:
Base-Base interactions energy: -603.589
where: short stacking energy: -351.403
Base-Backbone interact. energy: -2.848
local terms energy: -459.781195
where:
bonds (distance) C4'-P energy: -90.982
bonds (distance) P-C4' energy: -105.600
flat angles C4'-P-C4' energy: -106.196
flat angles P-C4'-P energy: -59.604
tors. eta vs tors. theta energy: -97.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -911.972335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.972335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.972335 (E_RNA)
where:
Base-Base interactions energy: -493.009
where: short stacking energy: -325.887
Base-Backbone interact. energy: 3.556
local terms energy: -422.519035
where:
bonds (distance) C4'-P energy: -82.413
bonds (distance) P-C4' energy: -96.662
flat angles C4'-P-C4' energy: -94.509
flat angles P-C4'-P energy: -62.670
tors. eta vs tors. theta energy: -86.265
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: 90
Temperature: 1.050000
Total energy: -852.740201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.740201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.740201 (E_RNA)
where:
Base-Base interactions energy: -483.130
where: short stacking energy: -288.323
Base-Backbone interact. energy: -0.116
local terms energy: -369.494779
where:
bonds (distance) C4'-P energy: -83.022
bonds (distance) P-C4' energy: -81.432
flat angles C4'-P-C4' energy: -88.617
flat angles P-C4'-P energy: -52.272
tors. eta vs tors. theta energy: -64.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -694.157188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.157188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.157188 (E_RNA)
where:
Base-Base interactions energy: -354.479
where: short stacking energy: -240.730
Base-Backbone interact. energy: -0.846
local terms energy: -338.832380
where:
bonds (distance) C4'-P energy: -80.224
bonds (distance) P-C4' energy: -79.189
flat angles C4'-P-C4' energy: -88.948
flat angles P-C4'-P energy: -39.912
tors. eta vs tors. theta energy: -50.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -523.110042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.110042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.110042 (E_RNA)
where:
Base-Base interactions energy: -222.279
where: short stacking energy: -159.220
Base-Backbone interact. energy: 6.324
local terms energy: -307.154275
where:
bonds (distance) C4'-P energy: -71.685
bonds (distance) P-C4' energy: -88.250
flat angles C4'-P-C4' energy: -84.914
flat angles P-C4'-P energy: -49.828
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -456.750022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.750022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.750022 (E_RNA)
where:
Base-Base interactions energy: -175.024
where: short stacking energy: -166.798
Base-Backbone interact. energy: 0.852
local terms energy: -282.578730
where:
bonds (distance) C4'-P energy: -85.451
bonds (distance) P-C4' energy: -81.992
flat angles C4'-P-C4' energy: -70.499
flat angles P-C4'-P energy: -23.467
tors. eta vs tors. theta energy: -21.170
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: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -397.546908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.546908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.546908 (E_RNA)
where:
Base-Base interactions energy: -135.388
where: short stacking energy: -119.865
Base-Backbone interact. energy: 8.732
local terms energy: -270.891661
where:
bonds (distance) C4'-P energy: -87.831
bonds (distance) P-C4' energy: -69.618
flat angles C4'-P-C4' energy: -72.995
flat angles P-C4'-P energy: -63.909
tors. eta vs tors. theta energy: 23.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -382.091795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.091795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.091795 (E_RNA)
where:
Base-Base interactions energy: -118.530
where: short stacking energy: -105.116
Base-Backbone interact. energy: -2.832
local terms energy: -260.729804
where:
bonds (distance) C4'-P energy: -71.667
bonds (distance) P-C4' energy: -67.935
flat angles C4'-P-C4' energy: -75.649
flat angles P-C4'-P energy: -55.899
tors. eta vs tors. theta energy: 10.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -361.059431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.059431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.059431 (E_RNA)
where:
Base-Base interactions energy: -97.615
where: short stacking energy: -91.192
Base-Backbone interact. energy: 3.648
local terms energy: -267.092820
where:
bonds (distance) C4'-P energy: -80.740
bonds (distance) P-C4' energy: -80.955
flat angles C4'-P-C4' energy: -82.997
flat angles P-C4'-P energy: -37.206
tors. eta vs tors. theta energy: 14.805
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: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1123.614259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.614259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.614259 (E_RNA)
where:
Base-Base interactions energy: -669.667
where: short stacking energy: -407.308
Base-Backbone interact. energy: -0.219
local terms energy: -453.728038
where:
bonds (distance) C4'-P energy: -90.794
bonds (distance) P-C4' energy: -78.019
flat angles C4'-P-C4' energy: -103.515
flat angles P-C4'-P energy: -61.871
tors. eta vs tors. theta energy: -119.530
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: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1082.987905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.987905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.987905 (E_RNA)
where:
Base-Base interactions energy: -644.589
where: short stacking energy: -380.398
Base-Backbone interact. energy: -1.002
local terms energy: -437.396775
where:
bonds (distance) C4'-P energy: -86.941
bonds (distance) P-C4' energy: -81.705
flat angles C4'-P-C4' energy: -89.402
flat angles P-C4'-P energy: -73.852
tors. eta vs tors. theta energy: -105.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -884.152629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.152629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.152629 (E_RNA)
where:
Base-Base interactions energy: -467.297
where: short stacking energy: -315.512
Base-Backbone interact. energy: 0.119
local terms energy: -416.975054
where:
bonds (distance) C4'-P energy: -92.519
bonds (distance) P-C4' energy: -83.079
flat angles C4'-P-C4' energy: -101.802
flat angles P-C4'-P energy: -59.267
tors. eta vs tors. theta energy: -80.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -785.919132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.919132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.919132 (E_RNA)
where:
Base-Base interactions energy: -427.899
where: short stacking energy: -260.598
Base-Backbone interact. energy: -2.012
local terms energy: -356.007724
where:
bonds (distance) C4'-P energy: -68.112
bonds (distance) P-C4' energy: -89.061
flat angles C4'-P-C4' energy: -86.166
flat angles P-C4'-P energy: -59.533
tors. eta vs tors. theta energy: -53.135
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: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -716.946989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.946989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.946989 (E_RNA)
where:
Base-Base interactions energy: -364.477
where: short stacking energy: -241.558
Base-Backbone interact. energy: -0.141
local terms energy: -352.328330
where:
bonds (distance) C4'-P energy: -70.132
bonds (distance) P-C4' energy: -104.144
flat angles C4'-P-C4' energy: -70.102
flat angles P-C4'-P energy: -60.973
tors. eta vs tors. theta energy: -46.977
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: 6, replica: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -544.663145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.663145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.663145 (E_RNA)
where:
Base-Base interactions energy: -243.312
where: short stacking energy: -175.031
Base-Backbone interact. energy: 3.634
local terms energy: -304.984564
where:
bonds (distance) C4'-P energy: -83.942
bonds (distance) P-C4' energy: -91.980
flat angles C4'-P-C4' energy: -67.136
flat angles P-C4'-P energy: -41.863
tors. eta vs tors. theta energy: -20.063
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: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -464.413202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.413202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.413202 (E_RNA)
where:
Base-Base interactions energy: -155.222
where: short stacking energy: -147.175
Base-Backbone interact. energy: 2.455
local terms energy: -311.646437
where:
bonds (distance) C4'-P energy: -88.033
bonds (distance) P-C4' energy: -84.958
flat angles C4'-P-C4' energy: -83.067
flat angles P-C4'-P energy: -46.958
tors. eta vs tors. theta energy: -8.631
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: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -409.007943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.007943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.007943 (E_RNA)
where:
Base-Base interactions energy: -130.122
where: short stacking energy: -123.809
Base-Backbone interact. energy: -0.015
local terms energy: -278.871427
where:
bonds (distance) C4'-P energy: -79.110
bonds (distance) P-C4' energy: -88.160
flat angles C4'-P-C4' energy: -76.397
flat angles P-C4'-P energy: -37.345
tors. eta vs tors. theta energy: 2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -404.891582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.891582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.891582 (E_RNA)
where:
Base-Base interactions energy: -147.953
where: short stacking energy: -125.338
Base-Backbone interact. energy: 2.326
local terms energy: -259.264176
where:
bonds (distance) C4'-P energy: -69.623
bonds (distance) P-C4' energy: -72.890
flat angles C4'-P-C4' energy: -73.951
flat angles P-C4'-P energy: -31.917
tors. eta vs tors. theta energy: -10.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -357.253419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.253419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.253419 (E_RNA)
where:
Base-Base interactions energy: -134.524
where: short stacking energy: -107.382
Base-Backbone interact. energy: 1.956
local terms energy: -224.686194
where:
bonds (distance) C4'-P energy: -71.188
bonds (distance) P-C4' energy: -72.443
flat angles C4'-P-C4' energy: -56.045
flat angles P-C4'-P energy: -32.480
tors. eta vs tors. theta energy: 7.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1151.611336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.611336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.611336 (E_RNA)
where:
Base-Base interactions energy: -672.464
where: short stacking energy: -402.101
Base-Backbone interact. energy: -0.675
local terms energy: -478.472344
where:
bonds (distance) C4'-P energy: -96.693
bonds (distance) P-C4' energy: -100.147
flat angles C4'-P-C4' energy: -91.259
flat angles P-C4'-P energy: -66.766
tors. eta vs tors. theta energy: -123.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1087.634848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.634848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.634848 (E_RNA)
where:
Base-Base interactions energy: -626.057
where: short stacking energy: -380.345
Base-Backbone interact. energy: -1.123
local terms energy: -460.454475
where:
bonds (distance) C4'-P energy: -90.708
bonds (distance) P-C4' energy: -98.866
flat angles C4'-P-C4' energy: -91.462
flat angles P-C4'-P energy: -69.716
tors. eta vs tors. theta energy: -109.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -881.168462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.168462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.168462 (E_RNA)
where:
Base-Base interactions energy: -489.141
where: short stacking energy: -294.533
Base-Backbone interact. energy: -1.530
local terms energy: -390.496727
where:
bonds (distance) C4'-P energy: -85.697
bonds (distance) P-C4' energy: -90.502
flat angles C4'-P-C4' energy: -90.655
flat angles P-C4'-P energy: -69.743
tors. eta vs tors. theta energy: -53.900
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: 92
Temperature: 1.050000
Total energy: -814.546291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.546291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.546291 (E_RNA)
where:
Base-Base interactions energy: -450.133
where: short stacking energy: -285.001
Base-Backbone interact. energy: 0.221
local terms energy: -364.634477
where:
bonds (distance) C4'-P energy: -82.688
bonds (distance) P-C4' energy: -89.012
flat angles C4'-P-C4' energy: -83.118
flat angles P-C4'-P energy: -52.791
tors. eta vs tors. theta energy: -57.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -713.352237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.352237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.352237 (E_RNA)
where:
Base-Base interactions energy: -359.225
where: short stacking energy: -254.004
Base-Backbone interact. energy: -0.998
local terms energy: -353.130052
where:
bonds (distance) C4'-P energy: -76.958
bonds (distance) P-C4' energy: -89.233
flat angles C4'-P-C4' energy: -101.202
flat angles P-C4'-P energy: -35.570
tors. eta vs tors. theta energy: -50.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -514.219412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.219412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.219412 (E_RNA)
where:
Base-Base interactions energy: -198.203
where: short stacking energy: -187.485
Base-Backbone interact. energy: -0.332
local terms energy: -315.684583
where:
bonds (distance) C4'-P energy: -75.196
bonds (distance) P-C4' energy: -84.148
flat angles C4'-P-C4' energy: -72.160
flat angles P-C4'-P energy: -56.439
tors. eta vs tors. theta energy: -27.742
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: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -441.591481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.591481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.591481 (E_RNA)
where:
Base-Base interactions energy: -153.641
where: short stacking energy: -123.513
Base-Backbone interact. energy: 1.399
local terms energy: -289.349946
where:
bonds (distance) C4'-P energy: -82.663
bonds (distance) P-C4' energy: -89.838
flat angles C4'-P-C4' energy: -80.986
flat angles P-C4'-P energy: -44.873
tors. eta vs tors. theta energy: 9.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -428.402203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.402203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.402203 (E_RNA)
where:
Base-Base interactions energy: -165.226
where: short stacking energy: -135.653
Base-Backbone interact. energy: 1.604
local terms energy: -264.780184
where:
bonds (distance) C4'-P energy: -77.852
bonds (distance) P-C4' energy: -92.799
flat angles C4'-P-C4' energy: -61.361
flat angles P-C4'-P energy: -28.699
tors. eta vs tors. theta energy: -4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -387.934750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.934750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.934750 (E_RNA)
where:
Base-Base interactions energy: -103.828
where: short stacking energy: -92.884
Base-Backbone interact. energy: 5.806
local terms energy: -289.912683
where:
bonds (distance) C4'-P energy: -75.377
bonds (distance) P-C4' energy: -81.885
flat angles C4'-P-C4' energy: -66.858
flat angles P-C4'-P energy: -65.673
tors. eta vs tors. theta energy: -0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -354.237704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.237704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.237704 (E_RNA)
where:
Base-Base interactions energy: -125.035
where: short stacking energy: -96.533
Base-Backbone interact. energy: -0.394
local terms energy: -228.809033
where:
bonds (distance) C4'-P energy: -67.180
bonds (distance) P-C4' energy: -74.208
flat angles C4'-P-C4' energy: -73.258
flat angles P-C4'-P energy: -43.579
tors. eta vs tors. theta energy: 29.416
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: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1135.966485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.966485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.966485 (E_RNA)
where:
Base-Base interactions energy: -673.744
where: short stacking energy: -392.741
Base-Backbone interact. energy: -0.008
local terms energy: -462.214305
where:
bonds (distance) C4'-P energy: -88.036
bonds (distance) P-C4' energy: -99.647
flat angles C4'-P-C4' energy: -98.005
flat angles P-C4'-P energy: -64.138
tors. eta vs tors. theta energy: -112.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1085.299133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.299133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.299133 (E_RNA)
where:
Base-Base interactions energy: -630.941
where: short stacking energy: -373.261
Base-Backbone interact. energy: -1.374
local terms energy: -452.984711
where:
bonds (distance) C4'-P energy: -100.728
bonds (distance) P-C4' energy: -95.512
flat angles C4'-P-C4' energy: -99.934
flat angles P-C4'-P energy: -60.723
tors. eta vs tors. theta energy: -96.089
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: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -898.808671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.808671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.808671 (E_RNA)
where:
Base-Base interactions energy: -488.483
where: short stacking energy: -330.492
Base-Backbone interact. energy: -0.232
local terms energy: -410.094495
where:
bonds (distance) C4'-P energy: -93.874
bonds (distance) P-C4' energy: -87.828
flat angles C4'-P-C4' energy: -91.438
flat angles P-C4'-P energy: -58.775
tors. eta vs tors. theta energy: -78.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -726.201715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.201715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.201715 (E_RNA)
where:
Base-Base interactions energy: -349.038
where: short stacking energy: -223.363
Base-Backbone interact. energy: -1.662
local terms energy: -375.501623
where:
bonds (distance) C4'-P energy: -93.821
bonds (distance) P-C4' energy: -92.301
flat angles C4'-P-C4' energy: -80.673
flat angles P-C4'-P energy: -55.121
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: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -717.600473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.600473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.600473 (E_RNA)
where:
Base-Base interactions energy: -378.388
where: short stacking energy: -212.405
Base-Backbone interact. energy: 0.847
local terms energy: -340.059388
where:
bonds (distance) C4'-P energy: -86.905
bonds (distance) P-C4' energy: -88.066
flat angles C4'-P-C4' energy: -78.425
flat angles P-C4'-P energy: -55.103
tors. eta vs tors. theta energy: -31.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -487.351854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.351854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.351854 (E_RNA)
where:
Base-Base interactions energy: -192.155
where: short stacking energy: -180.819
Base-Backbone interact. energy: 2.400
local terms energy: -297.597000
where:
bonds (distance) C4'-P energy: -79.826
bonds (distance) P-C4' energy: -89.297
flat angles C4'-P-C4' energy: -80.165
flat angles P-C4'-P energy: -41.506
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -455.057843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.057843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.057843 (E_RNA)
where:
Base-Base interactions energy: -161.203
where: short stacking energy: -152.142
Base-Backbone interact. energy: 1.602
local terms energy: -295.457004
where:
bonds (distance) C4'-P energy: -85.271
bonds (distance) P-C4' energy: -84.671
flat angles C4'-P-C4' energy: -69.746
flat angles P-C4'-P energy: -42.942
tors. eta vs tors. theta energy: -12.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -437.145718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.145718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.145718 (E_RNA)
where:
Base-Base interactions energy: -155.280
where: short stacking energy: -141.474
Base-Backbone interact. energy: -0.013
local terms energy: -281.852403
where:
bonds (distance) C4'-P energy: -67.245
bonds (distance) P-C4' energy: -92.053
flat angles C4'-P-C4' energy: -67.104
flat angles P-C4'-P energy: -49.263
tors. eta vs tors. theta energy: -6.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -379.175443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.175443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.175443 (E_RNA)
where:
Base-Base interactions energy: -127.037
where: short stacking energy: -121.222
Base-Backbone interact. energy: 1.289
local terms energy: -253.427822
where:
bonds (distance) C4'-P energy: -65.373
bonds (distance) P-C4' energy: -88.527
flat angles C4'-P-C4' energy: -75.335
flat angles P-C4'-P energy: -37.411
tors. eta vs tors. theta energy: 13.218
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: 10, replica: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -361.322355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.322355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.322355 (E_RNA)
where:
Base-Base interactions energy: -135.331
where: short stacking energy: -93.464
Base-Backbone interact. energy: -2.397
local terms energy: -223.594165
where:
bonds (distance) C4'-P energy: -68.991
bonds (distance) P-C4' energy: -89.840
flat angles C4'-P-C4' energy: -46.083
flat angles P-C4'-P energy: -38.161
tors. eta vs tors. theta energy: 19.482
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: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1149.682644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.682644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.682644 (E_RNA)
where:
Base-Base interactions energy: -670.376
where: short stacking energy: -399.377
Base-Backbone interact. energy: -0.650
local terms energy: -478.656636
where:
bonds (distance) C4'-P energy: -90.260
bonds (distance) P-C4' energy: -102.637
flat angles C4'-P-C4' energy: -94.105
flat angles P-C4'-P energy: -69.512
tors. eta vs tors. theta energy: -122.142
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: 2, replica: 4
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1051.734019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.734019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.734019 (E_RNA)
where:
Base-Base interactions energy: -616.931
where: short stacking energy: -372.759
Base-Backbone interact. energy: -1.316
local terms energy: -433.486640
where:
bonds (distance) C4'-P energy: -87.464
bonds (distance) P-C4' energy: -88.224
flat angles C4'-P-C4' energy: -90.746
flat angles P-C4'-P energy: -62.981
tors. eta vs tors. theta energy: -104.071
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: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -905.867797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.867797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.867797 (E_RNA)
where:
Base-Base interactions energy: -494.927
where: short stacking energy: -347.176
Base-Backbone interact. energy: -1.698
local terms energy: -409.243386
where:
bonds (distance) C4'-P energy: -83.060
bonds (distance) P-C4' energy: -91.541
flat angles C4'-P-C4' energy: -85.223
flat angles P-C4'-P energy: -57.321
tors. eta vs tors. theta energy: -92.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -775.431236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.431236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.431236 (E_RNA)
where:
Base-Base interactions energy: -412.615
where: short stacking energy: -297.890
Base-Backbone interact. energy: -2.501
local terms energy: -360.314790
where:
bonds (distance) C4'-P energy: -90.805
bonds (distance) P-C4' energy: -93.455
flat angles C4'-P-C4' energy: -83.702
flat angles P-C4'-P energy: -34.344
tors. eta vs tors. theta energy: -58.010
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: 5, replica: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -684.546562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.546562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.546562 (E_RNA)
where:
Base-Base interactions energy: -366.924
where: short stacking energy: -201.822
Base-Backbone interact. energy: 0.378
local terms energy: -318.000364
where:
bonds (distance) C4'-P energy: -78.641
bonds (distance) P-C4' energy: -82.971
flat angles C4'-P-C4' energy: -80.974
flat angles P-C4'-P energy: -46.556
tors. eta vs tors. theta energy: -28.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -516.181973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.181973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.181973 (E_RNA)
where:
Base-Base interactions energy: -184.061
where: short stacking energy: -152.844
Base-Backbone interact. energy: -1.013
local terms energy: -331.107768
where:
bonds (distance) C4'-P energy: -97.884
bonds (distance) P-C4' energy: -84.818
flat angles C4'-P-C4' energy: -79.249
flat angles P-C4'-P energy: -49.286
tors. eta vs tors. theta energy: -19.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -440.010646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.010646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.010646 (E_RNA)
where:
Base-Base interactions energy: -151.160
where: short stacking energy: -146.183
Base-Backbone interact. energy: -1.197
local terms energy: -287.654507
where:
bonds (distance) C4'-P energy: -69.837
bonds (distance) P-C4' energy: -87.381
flat angles C4'-P-C4' energy: -66.223
flat angles P-C4'-P energy: -49.940
tors. eta vs tors. theta energy: -14.273
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: 94
Temperature: 1.250000
Total energy: -411.647800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.647800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.647800 (E_RNA)
where:
Base-Base interactions energy: -129.635
where: short stacking energy: -112.145
Base-Backbone interact. energy: 4.171
local terms energy: -286.184217
where:
bonds (distance) C4'-P energy: -83.488
bonds (distance) P-C4' energy: -85.008
flat angles C4'-P-C4' energy: -67.741
flat angles P-C4'-P energy: -40.263
tors. eta vs tors. theta energy: -9.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -390.856114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.856114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.856114 (E_RNA)
where:
Base-Base interactions energy: -130.122
where: short stacking energy: -111.035
Base-Backbone interact. energy: -1.080
local terms energy: -259.654090
where:
bonds (distance) C4'-P energy: -79.316
bonds (distance) P-C4' energy: -80.640
flat angles C4'-P-C4' energy: -72.559
flat angles P-C4'-P energy: -30.668
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: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -369.567665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.567665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.567665 (E_RNA)
where:
Base-Base interactions energy: -115.252
where: short stacking energy: -105.135
Base-Backbone interact. energy: 1.033
local terms energy: -255.349182
where:
bonds (distance) C4'-P energy: -69.395
bonds (distance) P-C4' energy: -80.940
flat angles C4'-P-C4' energy: -55.111
flat angles P-C4'-P energy: -50.902
tors. eta vs tors. theta energy: 0.999
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: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1141.204480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.204480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.204480 (E_RNA)
where:
Base-Base interactions energy: -671.221
where: short stacking energy: -413.627
Base-Backbone interact. energy: -1.091
local terms energy: -468.892400
where:
bonds (distance) C4'-P energy: -97.415
bonds (distance) P-C4' energy: -100.635
flat angles C4'-P-C4' energy: -86.392
flat angles P-C4'-P energy: -63.594
tors. eta vs tors. theta energy: -120.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1054.198726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.198726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.198726 (E_RNA)
where:
Base-Base interactions energy: -619.568
where: short stacking energy: -363.640
Base-Backbone interact. energy: 0.527
local terms energy: -435.158330
where:
bonds (distance) C4'-P energy: -94.520
bonds (distance) P-C4' energy: -92.072
flat angles C4'-P-C4' energy: -92.751
flat angles P-C4'-P energy: -57.095
tors. eta vs tors. theta energy: -98.720
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: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -889.002943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.002943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.002943 (E_RNA)
where:
Base-Base interactions energy: -473.088
where: short stacking energy: -305.459
Base-Backbone interact. energy: -1.188
local terms energy: -414.726411
where:
bonds (distance) C4'-P energy: -88.910
bonds (distance) P-C4' energy: -95.514
flat angles C4'-P-C4' energy: -94.556
flat angles P-C4'-P energy: -54.331
tors. eta vs tors. theta energy: -81.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -780.003721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.003721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.003721 (E_RNA)
where:
Base-Base interactions energy: -417.147
where: short stacking energy: -279.007
Base-Backbone interact. energy: -0.462
local terms energy: -362.394865
where:
bonds (distance) C4'-P energy: -75.768
bonds (distance) P-C4' energy: -86.044
flat angles C4'-P-C4' energy: -88.912
flat angles P-C4'-P energy: -53.515
tors. eta vs tors. theta energy: -58.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -633.686330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.686330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.686330 (E_RNA)
where:
Base-Base interactions energy: -299.529
where: short stacking energy: -209.174
Base-Backbone interact. energy: 0.649
local terms energy: -334.806700
where:
bonds (distance) C4'-P energy: -74.226
bonds (distance) P-C4' energy: -88.272
flat angles C4'-P-C4' energy: -79.453
flat angles P-C4'-P energy: -52.472
tors. eta vs tors. theta energy: -40.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -492.813551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.813551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.813551 (E_RNA)
where:
Base-Base interactions energy: -167.300
where: short stacking energy: -162.128
Base-Backbone interact. energy: -1.514
local terms energy: -323.999744
where:
bonds (distance) C4'-P energy: -92.451
bonds (distance) P-C4' energy: -86.346
flat angles C4'-P-C4' energy: -77.180
flat angles P-C4'-P energy: -53.346
tors. eta vs tors. theta energy: -14.678
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: 7, replica: 5
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -468.200013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.200013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.200013 (E_RNA)
where:
Base-Base interactions energy: -194.769
where: short stacking energy: -150.694
Base-Backbone interact. energy: 3.817
local terms energy: -277.247925
where:
bonds (distance) C4'-P energy: -79.962
bonds (distance) P-C4' energy: -79.492
flat angles C4'-P-C4' energy: -75.665
flat angles P-C4'-P energy: -45.026
tors. eta vs tors. theta energy: 2.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -417.495741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.495741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.495741 (E_RNA)
where:
Base-Base interactions energy: -152.988
where: short stacking energy: -150.561
Base-Backbone interact. energy: -0.065
local terms energy: -264.442728
where:
bonds (distance) C4'-P energy: -72.787
bonds (distance) P-C4' energy: -80.396
flat angles C4'-P-C4' energy: -63.093
flat angles P-C4'-P energy: -44.346
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: 95
Temperature: 1.300000
Total energy: -377.361970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.361970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.361970 (E_RNA)
where:
Base-Base interactions energy: -127.934
where: short stacking energy: -103.575
Base-Backbone interact. energy: -1.149
local terms energy: -248.278610
where:
bonds (distance) C4'-P energy: -85.681
bonds (distance) P-C4' energy: -79.657
flat angles C4'-P-C4' energy: -63.969
flat angles P-C4'-P energy: -40.607
tors. eta vs tors. theta energy: 21.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -377.011022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.011022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.011022 (E_RNA)
where:
Base-Base interactions energy: -134.951
where: short stacking energy: -106.770
Base-Backbone interact. energy: 1.047
local terms energy: -243.106872
where:
bonds (distance) C4'-P energy: -73.512
bonds (distance) P-C4' energy: -85.634
flat angles C4'-P-C4' energy: -67.852
flat angles P-C4'-P energy: -29.745
tors. eta vs tors. theta energy: 13.636
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: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1141.377007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.377007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.377007 (E_RNA)
where:
Base-Base interactions energy: -660.504
where: short stacking energy: -417.153
Base-Backbone interact. energy: -2.418
local terms energy: -478.454986
where:
bonds (distance) C4'-P energy: -90.594
bonds (distance) P-C4' energy: -99.107
flat angles C4'-P-C4' energy: -106.512
flat angles P-C4'-P energy: -71.479
tors. eta vs tors. theta energy: -110.764
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: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1096.374417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.374417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.374417 (E_RNA)
where:
Base-Base interactions energy: -652.454
where: short stacking energy: -380.286
Base-Backbone interact. energy: 1.671
local terms energy: -445.591475
where:
bonds (distance) C4'-P energy: -88.668
bonds (distance) P-C4' energy: -88.940
flat angles C4'-P-C4' energy: -103.521
flat angles P-C4'-P energy: -58.212
tors. eta vs tors. theta energy: -106.250
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: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -899.081551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.081551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.081551 (E_RNA)
where:
Base-Base interactions energy: -496.310
where: short stacking energy: -331.166
Base-Backbone interact. energy: -2.004
local terms energy: -400.767506
where:
bonds (distance) C4'-P energy: -88.514
bonds (distance) P-C4' energy: -80.709
flat angles C4'-P-C4' energy: -91.153
flat angles P-C4'-P energy: -61.828
tors. eta vs tors. theta energy: -78.564
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: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -820.776295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.776295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.776295 (E_RNA)
where:
Base-Base interactions energy: -423.899
where: short stacking energy: -285.763
Base-Backbone interact. energy: -0.210
local terms energy: -396.667619
where:
bonds (distance) C4'-P energy: -74.875
bonds (distance) P-C4' energy: -91.721
flat angles C4'-P-C4' energy: -87.615
flat angles P-C4'-P energy: -61.262
tors. eta vs tors. theta energy: -81.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -656.186297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.186297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.186297 (E_RNA)
where:
Base-Base interactions energy: -314.979
where: short stacking energy: -215.954
Base-Backbone interact. energy: 2.492
local terms energy: -343.699558
where:
bonds (distance) C4'-P energy: -71.458
bonds (distance) P-C4' energy: -88.072
flat angles C4'-P-C4' energy: -83.557
flat angles P-C4'-P energy: -57.796
tors. eta vs tors. theta energy: -42.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -489.002052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.002052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.002052 (E_RNA)
where:
Base-Base interactions energy: -187.733
where: short stacking energy: -164.851
Base-Backbone interact. energy: -1.329
local terms energy: -299.940043
where:
bonds (distance) C4'-P energy: -86.113
bonds (distance) P-C4' energy: -93.666
flat angles C4'-P-C4' energy: -71.151
flat angles P-C4'-P energy: -45.554
tors. eta vs tors. theta energy: -3.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -446.852593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.852593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.852593 (E_RNA)
where:
Base-Base interactions energy: -140.987
where: short stacking energy: -126.288
Base-Backbone interact. energy: -0.301
local terms energy: -305.565133
where:
bonds (distance) C4'-P energy: -79.071
bonds (distance) P-C4' energy: -86.653
flat angles C4'-P-C4' energy: -78.900
flat angles P-C4'-P energy: -62.619
tors. eta vs tors. theta energy: 1.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -386.354600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.354600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.354600 (E_RNA)
where:
Base-Base interactions energy: -133.723
where: short stacking energy: -121.799
Base-Backbone interact. energy: -0.040
local terms energy: -252.591747
where:
bonds (distance) C4'-P energy: -80.715
bonds (distance) P-C4' energy: -78.888
flat angles C4'-P-C4' energy: -69.937
flat angles P-C4'-P energy: -32.094
tors. eta vs tors. theta energy: 9.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -368.050652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.050652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.050652 (E_RNA)
where:
Base-Base interactions energy: -134.601
where: short stacking energy: -108.117
Base-Backbone interact. energy: 1.443
local terms energy: -234.893184
where:
bonds (distance) C4'-P energy: -76.916
bonds (distance) P-C4' energy: -79.380
flat angles C4'-P-C4' energy: -72.728
flat angles P-C4'-P energy: -21.491
tors. eta vs tors. theta energy: 15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -357.512758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.512758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.512758 (E_RNA)
where:
Base-Base interactions energy: -110.767
where: short stacking energy: -100.007
Base-Backbone interact. energy: 0.091
local terms energy: -246.836535
where:
bonds (distance) C4'-P energy: -86.275
bonds (distance) P-C4' energy: -81.179
flat angles C4'-P-C4' energy: -58.374
flat angles P-C4'-P energy: -23.485
tors. eta vs tors. theta energy: 2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1146.574493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.574493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.574493 (E_RNA)
where:
Base-Base interactions energy: -676.170
where: short stacking energy: -402.718
Base-Backbone interact. energy: -0.734
local terms energy: -469.670583
where:
bonds (distance) C4'-P energy: -94.734
bonds (distance) P-C4' energy: -98.753
flat angles C4'-P-C4' energy: -105.302
flat angles P-C4'-P energy: -66.559
tors. eta vs tors. theta energy: -104.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1088.797889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.797889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.797889 (E_RNA)
where:
Base-Base interactions energy: -632.915
where: short stacking energy: -358.752
Base-Backbone interact. energy: -1.607
local terms energy: -454.275798
where:
bonds (distance) C4'-P energy: -95.779
bonds (distance) P-C4' energy: -92.527
flat angles C4'-P-C4' energy: -96.256
flat angles P-C4'-P energy: -70.166
tors. eta vs tors. theta energy: -99.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -876.456829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.456829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.456829 (E_RNA)
where:
Base-Base interactions energy: -473.017
where: short stacking energy: -320.436
Base-Backbone interact. energy: 3.852
local terms energy: -407.292551
where:
bonds (distance) C4'-P energy: -81.187
bonds (distance) P-C4' energy: -90.156
flat angles C4'-P-C4' energy: -89.672
flat angles P-C4'-P energy: -61.585
tors. eta vs tors. theta energy: -84.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -808.331224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.331224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.331224 (E_RNA)
where:
Base-Base interactions energy: -403.181
where: short stacking energy: -274.776
Base-Backbone interact. energy: -1.016
local terms energy: -404.134634
where:
bonds (distance) C4'-P energy: -83.812
bonds (distance) P-C4' energy: -97.284
flat angles C4'-P-C4' energy: -94.055
flat angles P-C4'-P energy: -61.824
tors. eta vs tors. theta energy: -67.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -679.566668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.566668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.566668 (E_RNA)
where:
Base-Base interactions energy: -318.178
where: short stacking energy: -222.915
Base-Backbone interact. energy: -0.144
local terms energy: -361.245515
where:
bonds (distance) C4'-P energy: -82.183
bonds (distance) P-C4' energy: -86.437
flat angles C4'-P-C4' energy: -92.780
flat angles P-C4'-P energy: -58.385
tors. eta vs tors. theta energy: -41.462
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: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -511.155728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.155728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.155728 (E_RNA)
where:
Base-Base interactions energy: -183.205
where: short stacking energy: -158.562
Base-Backbone interact. energy: -0.833
local terms energy: -327.117673
where:
bonds (distance) C4'-P energy: -91.872
bonds (distance) P-C4' energy: -80.529
flat angles C4'-P-C4' energy: -90.954
flat angles P-C4'-P energy: -51.914
tors. eta vs tors. theta energy: -11.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -455.508629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.508629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.508629 (E_RNA)
where:
Base-Base interactions energy: -158.270
where: short stacking energy: -127.692
Base-Backbone interact. energy: -1.907
local terms energy: -295.330946
where:
bonds (distance) C4'-P energy: -88.715
bonds (distance) P-C4' energy: -97.383
flat angles C4'-P-C4' energy: -79.344
flat angles P-C4'-P energy: -32.102
tors. eta vs tors. theta energy: 2.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -401.768268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.768268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.768268 (E_RNA)
where:
Base-Base interactions energy: -164.823
where: short stacking energy: -151.498
Base-Backbone interact. energy: -0.612
local terms energy: -236.333423
where:
bonds (distance) C4'-P energy: -77.232
bonds (distance) P-C4' energy: -63.509
flat angles C4'-P-C4' energy: -66.926
flat angles P-C4'-P energy: -27.102
tors. eta vs tors. theta energy: -1.564
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: 97
Temperature: 1.300000
Total energy: -388.472514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.472514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.472514 (E_RNA)
where:
Base-Base interactions energy: -125.693
where: short stacking energy: -116.032
Base-Backbone interact. energy: 0.067
local terms energy: -262.846535
where:
bonds (distance) C4'-P energy: -75.149
bonds (distance) P-C4' energy: -84.021
flat angles C4'-P-C4' energy: -62.096
flat angles P-C4'-P energy: -41.753
tors. eta vs tors. theta energy: 0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -347.401118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.401118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.401118 (E_RNA)
where:
Base-Base interactions energy: -130.221
where: short stacking energy: -111.102
Base-Backbone interact. energy: -0.384
local terms energy: -216.796027
where:
bonds (distance) C4'-P energy: -80.109
bonds (distance) P-C4' energy: -79.216
flat angles C4'-P-C4' energy: -38.802
flat angles P-C4'-P energy: -39.235
tors. eta vs tors. theta energy: 20.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1142.201742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.201742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.201742 (E_RNA)
where:
Base-Base interactions energy: -699.962
where: short stacking energy: -426.207
Base-Backbone interact. energy: 0.003
local terms energy: -442.241881
where:
bonds (distance) C4'-P energy: -83.222
bonds (distance) P-C4' energy: -96.335
flat angles C4'-P-C4' energy: -95.084
flat angles P-C4'-P energy: -56.227
tors. eta vs tors. theta energy: -111.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1063.332268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.332268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.332268 (E_RNA)
where:
Base-Base interactions energy: -620.761
where: short stacking energy: -357.519
Base-Backbone interact. energy: 0.887
local terms energy: -443.458527
where:
bonds (distance) C4'-P energy: -94.733
bonds (distance) P-C4' energy: -97.651
flat angles C4'-P-C4' energy: -91.629
flat angles P-C4'-P energy: -63.382
tors. eta vs tors. theta energy: -96.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -866.385382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.385382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.385382 (E_RNA)
where:
Base-Base interactions energy: -462.147
where: short stacking energy: -291.954
Base-Backbone interact. energy: -2.201
local terms energy: -402.037515
where:
bonds (distance) C4'-P energy: -82.255
bonds (distance) P-C4' energy: -89.984
flat angles C4'-P-C4' energy: -95.266
flat angles P-C4'-P energy: -64.537
tors. eta vs tors. theta energy: -69.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -780.479681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.479681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.479681 (E_RNA)
where:
Base-Base interactions energy: -408.482
where: short stacking energy: -271.019
Base-Backbone interact. energy: -1.145
local terms energy: -370.852559
where:
bonds (distance) C4'-P energy: -88.715
bonds (distance) P-C4' energy: -88.891
flat angles C4'-P-C4' energy: -86.521
flat angles P-C4'-P energy: -47.900
tors. eta vs tors. theta energy: -58.826
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: 5, replica: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -663.430684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.430684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.430684 (E_RNA)
where:
Base-Base interactions energy: -324.300
where: short stacking energy: -226.893
Base-Backbone interact. energy: -1.278
local terms energy: -337.852765
where:
bonds (distance) C4'-P energy: -79.334
bonds (distance) P-C4' energy: -87.975
flat angles C4'-P-C4' energy: -91.410
flat angles P-C4'-P energy: -37.493
tors. eta vs tors. theta energy: -41.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -494.173302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.173302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.173302 (E_RNA)
where:
Base-Base interactions energy: -187.058
where: short stacking energy: -164.427
Base-Backbone interact. energy: -2.119
local terms energy: -304.996478
where:
bonds (distance) C4'-P energy: -77.693
bonds (distance) P-C4' energy: -88.020
flat angles C4'-P-C4' energy: -73.651
flat angles P-C4'-P energy: -52.635
tors. eta vs tors. theta energy: -12.997
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: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -470.223853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.223853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.223853 (E_RNA)
where:
Base-Base interactions energy: -169.962
where: short stacking energy: -135.655
Base-Backbone interact. energy: 0.275
local terms energy: -300.537288
where:
bonds (distance) C4'-P energy: -94.526
bonds (distance) P-C4' energy: -92.154
flat angles C4'-P-C4' energy: -56.865
flat angles P-C4'-P energy: -41.339
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -428.665442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.665442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.665442 (E_RNA)
where:
Base-Base interactions energy: -175.488
where: short stacking energy: -150.729
Base-Backbone interact. energy: -0.129
local terms energy: -253.047591
where:
bonds (distance) C4'-P energy: -74.577
bonds (distance) P-C4' energy: -71.892
flat angles C4'-P-C4' energy: -67.927
flat angles P-C4'-P energy: -29.194
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: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -382.389248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.389248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.389248 (E_RNA)
where:
Base-Base interactions energy: -137.247
where: short stacking energy: -122.459
Base-Backbone interact. energy: 0.626
local terms energy: -245.768330
where:
bonds (distance) C4'-P energy: -85.012
bonds (distance) P-C4' energy: -78.929
flat angles C4'-P-C4' energy: -54.582
flat angles P-C4'-P energy: -38.159
tors. eta vs tors. theta energy: 10.913
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: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -348.985687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.985687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.985687 (E_RNA)
where:
Base-Base interactions energy: -111.698
where: short stacking energy: -91.538
Base-Backbone interact. energy: -1.348
local terms energy: -235.939403
where:
bonds (distance) C4'-P energy: -78.031
bonds (distance) P-C4' energy: -76.387
flat angles C4'-P-C4' energy: -62.808
flat angles P-C4'-P energy: -38.475
tors. eta vs tors. theta energy: 19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1176.223030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.223030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.223030 (E_RNA)
where:
Base-Base interactions energy: -712.752
where: short stacking energy: -410.028
Base-Backbone interact. energy: -1.875
local terms energy: -461.595554
where:
bonds (distance) C4'-P energy: -98.205
bonds (distance) P-C4' energy: -91.953
flat angles C4'-P-C4' energy: -93.941
flat angles P-C4'-P energy: -68.066
tors. eta vs tors. theta energy: -109.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1070.643631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.643631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.643631 (E_RNA)
where:
Base-Base interactions energy: -601.567
where: short stacking energy: -373.778
Base-Backbone interact. energy: 1.562
local terms energy: -470.638206
where:
bonds (distance) C4'-P energy: -100.509
bonds (distance) P-C4' energy: -91.990
flat angles C4'-P-C4' energy: -95.934
flat angles P-C4'-P energy: -64.041
tors. eta vs tors. theta energy: -118.165
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: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -866.074109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.074109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.074109 (E_RNA)
where:
Base-Base interactions energy: -445.913
where: short stacking energy: -292.238
Base-Backbone interact. energy: -0.232
local terms energy: -419.929498
where:
bonds (distance) C4'-P energy: -88.872
bonds (distance) P-C4' energy: -103.438
flat angles C4'-P-C4' energy: -97.841
flat angles P-C4'-P energy: -56.665
tors. eta vs tors. theta energy: -73.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -797.075152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.075152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.075152 (E_RNA)
where:
Base-Base interactions energy: -396.446
where: short stacking energy: -272.378
Base-Backbone interact. energy: -1.682
local terms energy: -398.947171
where:
bonds (distance) C4'-P energy: -76.169
bonds (distance) P-C4' energy: -95.895
flat angles C4'-P-C4' energy: -98.210
flat angles P-C4'-P energy: -57.999
tors. eta vs tors. theta energy: -70.675
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: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -605.342084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.342084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.342084 (E_RNA)
where:
Base-Base interactions energy: -280.965
where: short stacking energy: -182.889
Base-Backbone interact. energy: 0.557
local terms energy: -324.933699
where:
bonds (distance) C4'-P energy: -84.519
bonds (distance) P-C4' energy: -91.801
flat angles C4'-P-C4' energy: -78.362
flat angles P-C4'-P energy: -42.655
tors. eta vs tors. theta energy: -27.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -483.116133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.116133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.116133 (E_RNA)
where:
Base-Base interactions energy: -170.365
where: short stacking energy: -157.606
Base-Backbone interact. energy: 0.728
local terms energy: -313.479954
where:
bonds (distance) C4'-P energy: -90.045
bonds (distance) P-C4' energy: -90.979
flat angles C4'-P-C4' energy: -67.211
flat angles P-C4'-P energy: -38.476
tors. eta vs tors. theta energy: -26.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -462.098708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.098708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.098708 (E_RNA)
where:
Base-Base interactions energy: -154.349
where: short stacking energy: -131.496
Base-Backbone interact. energy: -0.457
local terms energy: -307.292430
where:
bonds (distance) C4'-P energy: -83.488
bonds (distance) P-C4' energy: -91.612
flat angles C4'-P-C4' energy: -59.375
flat angles P-C4'-P energy: -55.207
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -428.349924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.349924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.349924 (E_RNA)
where:
Base-Base interactions energy: -161.074
where: short stacking energy: -137.926
Base-Backbone interact. energy: -1.200
local terms energy: -266.075758
where:
bonds (distance) C4'-P energy: -70.259
bonds (distance) P-C4' energy: -90.345
flat angles C4'-P-C4' energy: -64.926
flat angles P-C4'-P energy: -34.093
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: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -404.867899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.867899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.867899 (E_RNA)
where:
Base-Base interactions energy: -122.948
where: short stacking energy: -118.399
Base-Backbone interact. energy: 0.448
local terms energy: -282.368590
where:
bonds (distance) C4'-P energy: -88.402
bonds (distance) P-C4' energy: -92.809
flat angles C4'-P-C4' energy: -79.445
flat angles P-C4'-P energy: -29.270
tors. eta vs tors. theta energy: 7.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -340.708675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.708675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.708675 (E_RNA)
where:
Base-Base interactions energy: -107.174
where: short stacking energy: -77.783
Base-Backbone interact. energy: 5.499
local terms energy: -239.033707
where:
bonds (distance) C4'-P energy: -61.728
bonds (distance) P-C4' energy: -81.935
flat angles C4'-P-C4' energy: -77.551
flat angles P-C4'-P energy: -41.356
tors. eta vs tors. theta energy: 23.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1188.045911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.045911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.045911 (E_RNA)
where:
Base-Base interactions energy: -701.881
where: short stacking energy: -419.354
Base-Backbone interact. energy: -0.742
local terms energy: -485.422833
where:
bonds (distance) C4'-P energy: -93.147
bonds (distance) P-C4' energy: -95.159
flat angles C4'-P-C4' energy: -101.973
flat angles P-C4'-P energy: -75.352
tors. eta vs tors. theta energy: -119.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1080.383158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.383158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.383158 (E_RNA)
where:
Base-Base interactions energy: -641.621
where: short stacking energy: -396.705
Base-Backbone interact. energy: 0.779
local terms energy: -439.540920
where:
bonds (distance) C4'-P energy: -78.624
bonds (distance) P-C4' energy: -87.634
flat angles C4'-P-C4' energy: -94.686
flat angles P-C4'-P energy: -65.860
tors. eta vs tors. theta energy: -112.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -866.446504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.446504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.446504 (E_RNA)
where:
Base-Base interactions energy: -471.286
where: short stacking energy: -296.294
Base-Backbone interact. energy: -1.500
local terms energy: -393.660539
where:
bonds (distance) C4'-P energy: -84.582
bonds (distance) P-C4' energy: -82.093
flat angles C4'-P-C4' energy: -108.032
flat angles P-C4'-P energy: -44.466
tors. eta vs tors. theta energy: -74.487
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: 4, replica: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -805.793879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.793879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.793879 (E_RNA)
where:
Base-Base interactions energy: -427.355
where: short stacking energy: -284.862
Base-Backbone interact. energy: -0.652
local terms energy: -377.787074
where:
bonds (distance) C4'-P energy: -91.300
bonds (distance) P-C4' energy: -73.502
flat angles C4'-P-C4' energy: -88.663
flat angles P-C4'-P energy: -68.408
tors. eta vs tors. theta energy: -55.914
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: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -556.205935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.205935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.205935 (E_RNA)
where:
Base-Base interactions energy: -220.061
where: short stacking energy: -186.071
Base-Backbone interact. energy: -1.089
local terms energy: -335.056371
where:
bonds (distance) C4'-P energy: -89.157
bonds (distance) P-C4' energy: -78.819
flat angles C4'-P-C4' energy: -82.463
flat angles P-C4'-P energy: -53.029
tors. eta vs tors. theta energy: -31.588
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: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -568.194797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.194797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.194797 (E_RNA)
where:
Base-Base interactions energy: -275.244
where: short stacking energy: -179.241
Base-Backbone interact. energy: 1.333
local terms energy: -294.284062
where:
bonds (distance) C4'-P energy: -83.371
bonds (distance) P-C4' energy: -81.523
flat angles C4'-P-C4' energy: -51.158
flat angles P-C4'-P energy: -44.473
tors. eta vs tors. theta energy: -33.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -470.429595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.429595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.429595 (E_RNA)
where:
Base-Base interactions energy: -153.958
where: short stacking energy: -142.685
Base-Backbone interact. energy: 0.901
local terms energy: -317.372176
where:
bonds (distance) C4'-P energy: -83.606
bonds (distance) P-C4' energy: -74.873
flat angles C4'-P-C4' energy: -79.854
flat angles P-C4'-P energy: -59.183
tors. eta vs tors. theta energy: -19.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -424.380144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.380144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.380144 (E_RNA)
where:
Base-Base interactions energy: -143.909
where: short stacking energy: -128.182
Base-Backbone interact. energy: -0.190
local terms energy: -280.280779
where:
bonds (distance) C4'-P energy: -80.642
bonds (distance) P-C4' energy: -77.846
flat angles C4'-P-C4' energy: -69.191
flat angles P-C4'-P energy: -47.817
tors. eta vs tors. theta energy: -4.784
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: 5
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -372.285573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.285573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.285573 (E_RNA)
where:
Base-Base interactions energy: -111.415
where: short stacking energy: -108.508
Base-Backbone interact. energy: -1.614
local terms energy: -259.257349
where:
bonds (distance) C4'-P energy: -75.006
bonds (distance) P-C4' energy: -73.554
flat angles C4'-P-C4' energy: -77.867
flat angles P-C4'-P energy: -34.036
tors. eta vs tors. theta energy: 1.205
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: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -358.443329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.443329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.443329 (E_RNA)
where:
Base-Base interactions energy: -116.296
where: short stacking energy: -86.147
Base-Backbone interact. energy: 0.490
local terms energy: -242.636764
where:
bonds (distance) C4'-P energy: -74.418
bonds (distance) P-C4' energy: -81.675
flat angles C4'-P-C4' energy: -63.881
flat angles P-C4'-P energy: -41.876
tors. eta vs tors. theta energy: 19.213
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: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1160.751920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.751920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.751920 (E_RNA)
where:
Base-Base interactions energy: -696.901
where: short stacking energy: -390.726
Base-Backbone interact. energy: 0.113
local terms energy: -463.963298
where:
bonds (distance) C4'-P energy: -93.430
bonds (distance) P-C4' energy: -97.202
flat angles C4'-P-C4' energy: -96.008
flat angles P-C4'-P energy: -73.727
tors. eta vs tors. theta energy: -103.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1035.407967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.407967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.407967 (E_RNA)
where:
Base-Base interactions energy: -577.662
where: short stacking energy: -351.129
Base-Backbone interact. energy: 0.919
local terms energy: -458.664784
where:
bonds (distance) C4'-P energy: -99.933
bonds (distance) P-C4' energy: -92.601
flat angles C4'-P-C4' energy: -96.752
flat angles P-C4'-P energy: -67.792
tors. eta vs tors. theta energy: -101.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -892.843593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.843593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.843593 (E_RNA)
where:
Base-Base interactions energy: -484.162
where: short stacking energy: -316.344
Base-Backbone interact. energy: -1.191
local terms energy: -407.490065
where:
bonds (distance) C4'-P energy: -82.270
bonds (distance) P-C4' energy: -95.163
flat angles C4'-P-C4' energy: -86.136
flat angles P-C4'-P energy: -60.556
tors. eta vs tors. theta energy: -83.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -800.001352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.001352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.001352 (E_RNA)
where:
Base-Base interactions energy: -399.884
where: short stacking energy: -280.704
Base-Backbone interact. energy: -2.573
local terms energy: -397.544288
where:
bonds (distance) C4'-P energy: -85.131
bonds (distance) P-C4' energy: -98.667
flat angles C4'-P-C4' energy: -86.461
flat angles P-C4'-P energy: -56.316
tors. eta vs tors. theta energy: -70.970
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: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -605.214837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.214837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.214837 (E_RNA)
where:
Base-Base interactions energy: -266.115
where: short stacking energy: -205.533
Base-Backbone interact. energy: -0.919
local terms energy: -338.180645
where:
bonds (distance) C4'-P energy: -80.360
bonds (distance) P-C4' energy: -84.554
flat angles C4'-P-C4' energy: -76.689
flat angles P-C4'-P energy: -59.108
tors. eta vs tors. theta energy: -37.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -582.674858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.674858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.674858 (E_RNA)
where:
Base-Base interactions energy: -274.939
where: short stacking energy: -185.466
Base-Backbone interact. energy: 0.016
local terms energy: -307.751318
where:
bonds (distance) C4'-P energy: -77.299
bonds (distance) P-C4' energy: -83.745
flat angles C4'-P-C4' energy: -73.458
flat angles P-C4'-P energy: -42.896
tors. eta vs tors. theta energy: -30.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -460.051358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.051358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.051358 (E_RNA)
where:
Base-Base interactions energy: -172.639
where: short stacking energy: -147.600
Base-Backbone interact. energy: 3.172
local terms energy: -290.583730
where:
bonds (distance) C4'-P energy: -81.951
bonds (distance) P-C4' energy: -88.098
flat angles C4'-P-C4' energy: -82.350
flat angles P-C4'-P energy: -45.372
tors. eta vs tors. theta energy: 7.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -421.346057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.346057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.346057 (E_RNA)
where:
Base-Base interactions energy: -146.323
where: short stacking energy: -132.160
Base-Backbone interact. energy: -1.406
local terms energy: -273.617568
where:
bonds (distance) C4'-P energy: -86.746
bonds (distance) P-C4' energy: -64.591
flat angles C4'-P-C4' energy: -87.318
flat angles P-C4'-P energy: -27.965
tors. eta vs tors. theta energy: -6.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -375.923266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.923266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.923266 (E_RNA)
where:
Base-Base interactions energy: -129.314
where: short stacking energy: -112.849
Base-Backbone interact. energy: -1.882
local terms energy: -244.728098
where:
bonds (distance) C4'-P energy: -63.328
bonds (distance) P-C4' energy: -71.481
flat angles C4'-P-C4' energy: -69.644
flat angles P-C4'-P energy: -44.504
tors. eta vs tors. theta energy: 4.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -352.721208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.721208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.721208 (E_RNA)
where:
Base-Base interactions energy: -120.825
where: short stacking energy: -98.229
Base-Backbone interact. energy: -0.395
local terms energy: -231.501802
where:
bonds (distance) C4'-P energy: -74.807
bonds (distance) P-C4' energy: -71.099
flat angles C4'-P-C4' energy: -54.579
flat angles P-C4'-P energy: -39.491
tors. eta vs tors. theta energy: 8.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1133.226653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.226653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.226653 (E_RNA)
where:
Base-Base interactions energy: -675.384
where: short stacking energy: -371.640
Base-Backbone interact. energy: -3.323
local terms energy: -454.519417
where:
bonds (distance) C4'-P energy: -84.775
bonds (distance) P-C4' energy: -93.756
flat angles C4'-P-C4' energy: -100.621
flat angles P-C4'-P energy: -81.317
tors. eta vs tors. theta energy: -94.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1045.075166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.075166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.075166 (E_RNA)
where:
Base-Base interactions energy: -604.536
where: short stacking energy: -382.267
Base-Backbone interact. energy: 3.136
local terms energy: -443.675758
where:
bonds (distance) C4'-P energy: -81.954
bonds (distance) P-C4' energy: -94.220
flat angles C4'-P-C4' energy: -99.511
flat angles P-C4'-P energy: -65.340
tors. eta vs tors. theta energy: -102.651
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: 8
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -879.080969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.080969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.080969 (E_RNA)
where:
Base-Base interactions energy: -495.822
where: short stacking energy: -302.954
Base-Backbone interact. energy: 3.298
local terms energy: -386.556537
where:
bonds (distance) C4'-P energy: -81.655
bonds (distance) P-C4' energy: -90.408
flat angles C4'-P-C4' energy: -92.978
flat angles P-C4'-P energy: -51.736
tors. eta vs tors. theta energy: -69.779
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: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -770.642903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.642903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.642903 (E_RNA)
where:
Base-Base interactions energy: -402.964
where: short stacking energy: -264.686
Base-Backbone interact. energy: -2.876
local terms energy: -364.802257
where:
bonds (distance) C4'-P energy: -77.599
bonds (distance) P-C4' energy: -90.357
flat angles C4'-P-C4' energy: -88.678
flat angles P-C4'-P energy: -55.422
tors. eta vs tors. theta energy: -52.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -674.367637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.367637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.367637 (E_RNA)
where:
Base-Base interactions energy: -329.299
where: short stacking energy: -236.793
Base-Backbone interact. energy: 2.098
local terms energy: -347.167370
where:
bonds (distance) C4'-P energy: -68.340
bonds (distance) P-C4' energy: -92.424
flat angles C4'-P-C4' energy: -85.915
flat angles P-C4'-P energy: -54.133
tors. eta vs tors. theta energy: -46.354
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: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -552.680967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.680967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.680967 (E_RNA)
where:
Base-Base interactions energy: -244.311
where: short stacking energy: -180.731
Base-Backbone interact. energy: 0.076
local terms energy: -308.446157
where:
bonds (distance) C4'-P energy: -76.326
bonds (distance) P-C4' energy: -81.506
flat angles C4'-P-C4' energy: -87.433
flat angles P-C4'-P energy: -46.395
tors. eta vs tors. theta energy: -16.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -487.030536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.030536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.030536 (E_RNA)
where:
Base-Base interactions energy: -190.233
where: short stacking energy: -175.173
Base-Backbone interact. energy: -1.211
local terms energy: -295.586749
where:
bonds (distance) C4'-P energy: -70.494
bonds (distance) P-C4' energy: -87.596
flat angles C4'-P-C4' energy: -77.795
flat angles P-C4'-P energy: -40.177
tors. eta vs tors. theta energy: -19.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -438.776130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.776130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.776130 (E_RNA)
where:
Base-Base interactions energy: -185.114
where: short stacking energy: -120.748
Base-Backbone interact. energy: 1.599
local terms energy: -255.261670
where:
bonds (distance) C4'-P energy: -79.547
bonds (distance) P-C4' energy: -73.771
flat angles C4'-P-C4' energy: -59.297
flat angles P-C4'-P energy: -43.887
tors. eta vs tors. theta energy: 1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -373.652971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.652971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.652971 (E_RNA)
where:
Base-Base interactions energy: -113.221
where: short stacking energy: -107.090
Base-Backbone interact. energy: -0.520
local terms energy: -259.911349
where:
bonds (distance) C4'-P energy: -81.036
bonds (distance) P-C4' energy: -95.177
flat angles C4'-P-C4' energy: -59.704
flat angles P-C4'-P energy: -30.175
tors. eta vs tors. theta energy: 6.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -357.503560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.503560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.503560 (E_RNA)
where:
Base-Base interactions energy: -112.799
where: short stacking energy: -87.832
Base-Backbone interact. energy: -3.512
local terms energy: -241.192082
where:
bonds (distance) C4'-P energy: -76.690
bonds (distance) P-C4' energy: -88.364
flat angles C4'-P-C4' energy: -59.230
flat angles P-C4'-P energy: -44.391
tors. eta vs tors. theta energy: 27.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1158.934163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.934163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.934163 (E_RNA)
where:
Base-Base interactions energy: -680.668
where: short stacking energy: -382.248
Base-Backbone interact. energy: -3.213
local terms energy: -475.053443
where:
bonds (distance) C4'-P energy: -88.257
bonds (distance) P-C4' energy: -95.053
flat angles C4'-P-C4' energy: -99.029
flat angles P-C4'-P energy: -81.222
tors. eta vs tors. theta energy: -111.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1010.028549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.028549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.028549 (E_RNA)
where:
Base-Base interactions energy: -561.951
where: short stacking energy: -358.345
Base-Backbone interact. energy: -1.291
local terms energy: -446.786577
where:
bonds (distance) C4'-P energy: -83.772
bonds (distance) P-C4' energy: -95.881
flat angles C4'-P-C4' energy: -102.728
flat angles P-C4'-P energy: -65.209
tors. eta vs tors. theta energy: -99.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -876.223838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.223838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.223838 (E_RNA)
where:
Base-Base interactions energy: -457.992
where: short stacking energy: -309.256
Base-Backbone interact. energy: 0.721
local terms energy: -418.952674
where:
bonds (distance) C4'-P energy: -91.528
bonds (distance) P-C4' energy: -99.448
flat angles C4'-P-C4' energy: -103.160
flat angles P-C4'-P energy: -44.654
tors. eta vs tors. theta energy: -80.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -798.927743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.927743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.927743 (E_RNA)
where:
Base-Base interactions energy: -419.664
where: short stacking energy: -274.455
Base-Backbone interact. energy: -0.208
local terms energy: -379.055786
where:
bonds (distance) C4'-P energy: -69.653
bonds (distance) P-C4' energy: -97.694
flat angles C4'-P-C4' energy: -83.251
flat angles P-C4'-P energy: -66.640
tors. eta vs tors. theta energy: -61.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -601.610583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.610583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.610583 (E_RNA)
where:
Base-Base interactions energy: -269.251
where: short stacking energy: -192.930
Base-Backbone interact. energy: 0.385
local terms energy: -332.744705
where:
bonds (distance) C4'-P energy: -88.577
bonds (distance) P-C4' energy: -93.452
flat angles C4'-P-C4' energy: -84.733
flat angles P-C4'-P energy: -44.235
tors. eta vs tors. theta energy: -21.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -548.955058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.955058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.955058 (E_RNA)
where:
Base-Base interactions energy: -219.436
where: short stacking energy: -178.031
Base-Backbone interact. energy: -0.406
local terms energy: -329.113288
where:
bonds (distance) C4'-P energy: -87.994
bonds (distance) P-C4' energy: -90.856
flat angles C4'-P-C4' energy: -92.091
flat angles P-C4'-P energy: -52.559
tors. eta vs tors. theta energy: -5.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -467.839926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.839926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.839926 (E_RNA)
where:
Base-Base interactions energy: -159.786
where: short stacking energy: -152.610
Base-Backbone interact. energy: -0.433
local terms energy: -307.620843
where:
bonds (distance) C4'-P energy: -93.885
bonds (distance) P-C4' energy: -95.396
flat angles C4'-P-C4' energy: -64.680
flat angles P-C4'-P energy: -34.531
tors. eta vs tors. theta energy: -19.128
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: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -418.323483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.323483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.323483 (E_RNA)
where:
Base-Base interactions energy: -146.880
where: short stacking energy: -131.632
Base-Backbone interact. energy: 3.109
local terms energy: -274.552274
where:
bonds (distance) C4'-P energy: -85.480
bonds (distance) P-C4' energy: -83.401
flat angles C4'-P-C4' energy: -62.309
flat angles P-C4'-P energy: -40.818
tors. eta vs tors. theta energy: -2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -363.619279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.619279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.619279 (E_RNA)
where:
Base-Base interactions energy: -120.548
where: short stacking energy: -108.204
Base-Backbone interact. energy: 1.969
local terms energy: -245.040628
where:
bonds (distance) C4'-P energy: -72.370
bonds (distance) P-C4' energy: -79.547
flat angles C4'-P-C4' energy: -64.498
flat angles P-C4'-P energy: -41.122
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: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -361.029439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.029439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.029439 (E_RNA)
where:
Base-Base interactions energy: -129.079
where: short stacking energy: -111.414
Base-Backbone interact. energy: 0.293
local terms energy: -232.243064
where:
bonds (distance) C4'-P energy: -62.072
bonds (distance) P-C4' energy: -76.780
flat angles C4'-P-C4' energy: -67.799
flat angles P-C4'-P energy: -31.421
tors. eta vs tors. theta energy: 5.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1136.180758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.180758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.180758 (E_RNA)
where:
Base-Base interactions energy: -673.961
where: short stacking energy: -392.765
Base-Backbone interact. energy: -1.506
local terms energy: -460.714419
where:
bonds (distance) C4'-P energy: -86.005
bonds (distance) P-C4' energy: -100.066
flat angles C4'-P-C4' energy: -97.625
flat angles P-C4'-P energy: -65.377
tors. eta vs tors. theta energy: -111.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1023.118482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.118482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.118482 (E_RNA)
where:
Base-Base interactions energy: -565.946
where: short stacking energy: -360.945
Base-Backbone interact. energy: -1.153
local terms energy: -456.020234
where:
bonds (distance) C4'-P energy: -85.390
bonds (distance) P-C4' energy: -101.995
flat angles C4'-P-C4' energy: -104.458
flat angles P-C4'-P energy: -62.042
tors. eta vs tors. theta energy: -102.136
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: 8
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -859.608917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.608917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.608917 (E_RNA)
where:
Base-Base interactions energy: -463.354
where: short stacking energy: -292.706
Base-Backbone interact. energy: -0.916
local terms energy: -395.339118
where:
bonds (distance) C4'-P energy: -76.561
bonds (distance) P-C4' energy: -104.518
flat angles C4'-P-C4' energy: -91.758
flat angles P-C4'-P energy: -50.004
tors. eta vs tors. theta energy: -72.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -791.521127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.521127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.521127 (E_RNA)
where:
Base-Base interactions energy: -406.998
where: short stacking energy: -281.967
Base-Backbone interact. energy: 1.739
local terms energy: -386.261379
where:
bonds (distance) C4'-P energy: -90.501
bonds (distance) P-C4' energy: -101.998
flat angles C4'-P-C4' energy: -82.465
flat angles P-C4'-P energy: -48.135
tors. eta vs tors. theta energy: -63.162
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: 7
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -646.852352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.852352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.852352 (E_RNA)
where:
Base-Base interactions energy: -308.804
where: short stacking energy: -216.556
Base-Backbone interact. energy: -1.652
local terms energy: -336.396790
where:
bonds (distance) C4'-P energy: -84.025
bonds (distance) P-C4' energy: -85.642
flat angles C4'-P-C4' energy: -76.005
flat angles P-C4'-P energy: -52.814
tors. eta vs tors. theta energy: -37.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -571.012905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.012905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.012905 (E_RNA)
where:
Base-Base interactions energy: -241.346
where: short stacking energy: -196.150
Base-Backbone interact. energy: -0.674
local terms energy: -328.993292
where:
bonds (distance) C4'-P energy: -87.497
bonds (distance) P-C4' energy: -79.451
flat angles C4'-P-C4' energy: -76.836
flat angles P-C4'-P energy: -59.118
tors. eta vs tors. theta energy: -26.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -420.335744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.335744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.335744 (E_RNA)
where:
Base-Base interactions energy: -151.562
where: short stacking energy: -134.504
Base-Backbone interact. energy: 0.192
local terms energy: -268.966231
where:
bonds (distance) C4'-P energy: -80.677
bonds (distance) P-C4' energy: -86.553
flat angles C4'-P-C4' energy: -71.532
flat angles P-C4'-P energy: -29.379
tors. eta vs tors. theta energy: -0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -438.882095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.882095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.882095 (E_RNA)
where:
Base-Base interactions energy: -164.652
where: short stacking energy: -147.484
Base-Backbone interact. energy: -3.424
local terms energy: -270.805892
where:
bonds (distance) C4'-P energy: -67.094
bonds (distance) P-C4' energy: -76.599
flat angles C4'-P-C4' energy: -67.995
flat angles P-C4'-P energy: -41.708
tors. eta vs tors. theta energy: -17.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -370.473135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.473135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.473135 (E_RNA)
where:
Base-Base interactions energy: -118.136
where: short stacking energy: -103.026
Base-Backbone interact. energy: -0.510
local terms energy: -251.827663
where:
bonds (distance) C4'-P energy: -58.928
bonds (distance) P-C4' energy: -87.615
flat angles C4'-P-C4' energy: -67.937
flat angles P-C4'-P energy: -46.699
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: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -349.132853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.132853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.132853 (E_RNA)
where:
Base-Base interactions energy: -125.590
where: short stacking energy: -114.650
Base-Backbone interact. energy: -2.654
local terms energy: -220.888929
where:
bonds (distance) C4'-P energy: -73.833
bonds (distance) P-C4' energy: -68.696
flat angles C4'-P-C4' energy: -54.579
flat angles P-C4'-P energy: -34.637
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: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1164.037092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.037092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.037092 (E_RNA)
where:
Base-Base interactions energy: -680.133
where: short stacking energy: -398.362
Base-Backbone interact. energy: 0.134
local terms energy: -484.038657
where:
bonds (distance) C4'-P energy: -89.697
bonds (distance) P-C4' energy: -94.670
flat angles C4'-P-C4' energy: -108.477
flat angles P-C4'-P energy: -75.741
tors. eta vs tors. theta energy: -115.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1017.717591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.717591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.717591 (E_RNA)
where:
Base-Base interactions energy: -573.507
where: short stacking energy: -377.375
Base-Backbone interact. energy: -0.159
local terms energy: -444.051781
where:
bonds (distance) C4'-P energy: -82.046
bonds (distance) P-C4' energy: -88.865
flat angles C4'-P-C4' energy: -103.996
flat angles P-C4'-P energy: -61.650
tors. eta vs tors. theta energy: -107.495
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: 3, replica: 8
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -900.987936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.987936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.987936 (E_RNA)
where:
Base-Base interactions energy: -463.033
where: short stacking energy: -289.290
Base-Backbone interact. energy: 0.686
local terms energy: -438.640674
where:
bonds (distance) C4'-P energy: -94.302
bonds (distance) P-C4' energy: -93.657
flat angles C4'-P-C4' energy: -94.626
flat angles P-C4'-P energy: -73.449
tors. eta vs tors. theta energy: -82.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -831.530100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.530100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.530100 (E_RNA)
where:
Base-Base interactions energy: -451.607
where: short stacking energy: -296.147
Base-Backbone interact. energy: -1.582
local terms energy: -378.340987
where:
bonds (distance) C4'-P energy: -82.998
bonds (distance) P-C4' energy: -82.327
flat angles C4'-P-C4' energy: -94.443
flat angles P-C4'-P energy: -60.914
tors. eta vs tors. theta energy: -57.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -616.582275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.582275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.582275 (E_RNA)
where:
Base-Base interactions energy: -283.311
where: short stacking energy: -201.102
Base-Backbone interact. energy: 1.319
local terms energy: -334.590704
where:
bonds (distance) C4'-P energy: -85.710
bonds (distance) P-C4' energy: -84.939
flat angles C4'-P-C4' energy: -79.100
flat angles P-C4'-P energy: -43.582
tors. eta vs tors. theta energy: -41.260
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: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -554.037136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.037136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.037136 (E_RNA)
where:
Base-Base interactions energy: -233.269
where: short stacking energy: -178.430
Base-Backbone interact. energy: -0.211
local terms energy: -320.557251
where:
bonds (distance) C4'-P energy: -84.872
bonds (distance) P-C4' energy: -90.995
flat angles C4'-P-C4' energy: -61.500
flat angles P-C4'-P energy: -54.980
tors. eta vs tors. theta energy: -28.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -449.478448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.478448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.478448 (E_RNA)
where:
Base-Base interactions energy: -168.078
where: short stacking energy: -150.371
Base-Backbone interact. energy: -0.034
local terms energy: -281.366236
where:
bonds (distance) C4'-P energy: -53.291
bonds (distance) P-C4' energy: -93.033
flat angles C4'-P-C4' energy: -80.168
flat angles P-C4'-P energy: -43.201
tors. eta vs tors. theta energy: -11.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -390.846808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.846808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.846808 (E_RNA)
where:
Base-Base interactions energy: -149.286
where: short stacking energy: -130.250
Base-Backbone interact. energy: 2.216
local terms energy: -243.776939
where:
bonds (distance) C4'-P energy: -76.255
bonds (distance) P-C4' energy: -90.430
flat angles C4'-P-C4' energy: -65.370
flat angles P-C4'-P energy: -34.533
tors. eta vs tors. theta energy: 22.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -395.143053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.143053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.143053 (E_RNA)
where:
Base-Base interactions energy: -131.997
where: short stacking energy: -117.711
Base-Backbone interact. energy: -0.171
local terms energy: -262.975537
where:
bonds (distance) C4'-P energy: -69.826
bonds (distance) P-C4' energy: -86.042
flat angles C4'-P-C4' energy: -74.931
flat angles P-C4'-P energy: -42.456
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: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -354.166398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.166398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.166398 (E_RNA)
where:
Base-Base interactions energy: -103.859
where: short stacking energy: -86.496
Base-Backbone interact. energy: -0.283
local terms energy: -250.024077
where:
bonds (distance) C4'-P energy: -78.810
bonds (distance) P-C4' energy: -82.401
flat angles C4'-P-C4' energy: -60.442
flat angles P-C4'-P energy: -46.022
tors. eta vs tors. theta energy: 17.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1162.901583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.901583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.901583 (E_RNA)
where:
Base-Base interactions energy: -703.243
where: short stacking energy: -409.146
Base-Backbone interact. energy: -1.820
local terms energy: -457.838121
where:
bonds (distance) C4'-P energy: -90.088
bonds (distance) P-C4' energy: -88.643
flat angles C4'-P-C4' energy: -98.917
flat angles P-C4'-P energy: -61.477
tors. eta vs tors. theta energy: -118.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1032.286495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.286495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.286495 (E_RNA)
where:
Base-Base interactions energy: -594.523
where: short stacking energy: -358.631
Base-Backbone interact. energy: 0.506
local terms energy: -438.269452
where:
bonds (distance) C4'-P energy: -89.142
bonds (distance) P-C4' energy: -103.825
flat angles C4'-P-C4' energy: -90.046
flat angles P-C4'-P energy: -58.001
tors. eta vs tors. theta energy: -97.255
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: 3, replica: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -856.723775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.723775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.723775 (E_RNA)
where:
Base-Base interactions energy: -451.282
where: short stacking energy: -307.145
Base-Backbone interact. energy: -1.085
local terms energy: -404.356337
where:
bonds (distance) C4'-P energy: -72.259
bonds (distance) P-C4' energy: -95.853
flat angles C4'-P-C4' energy: -98.759
flat angles P-C4'-P energy: -66.838
tors. eta vs tors. theta energy: -70.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -778.218792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.218792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.218792 (E_RNA)
where:
Base-Base interactions energy: -412.256
where: short stacking energy: -278.109
Base-Backbone interact. energy: -1.681
local terms energy: -364.281758
where:
bonds (distance) C4'-P energy: -79.490
bonds (distance) P-C4' energy: -85.520
flat angles C4'-P-C4' energy: -76.375
flat angles P-C4'-P energy: -52.213
tors. eta vs tors. theta energy: -70.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -608.214748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.214748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.214748 (E_RNA)
where:
Base-Base interactions energy: -294.834
where: short stacking energy: -204.159
Base-Backbone interact. energy: -1.002
local terms energy: -312.379539
where:
bonds (distance) C4'-P energy: -77.530
bonds (distance) P-C4' energy: -84.774
flat angles C4'-P-C4' energy: -78.163
flat angles P-C4'-P energy: -50.883
tors. eta vs tors. theta energy: -21.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -571.283992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.283992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.283992 (E_RNA)
where:
Base-Base interactions energy: -275.213
where: short stacking energy: -194.801
Base-Backbone interact. energy: -2.019
local terms energy: -294.052375
where:
bonds (distance) C4'-P energy: -81.226
bonds (distance) P-C4' energy: -74.557
flat angles C4'-P-C4' energy: -71.798
flat angles P-C4'-P energy: -42.090
tors. eta vs tors. theta energy: -24.382
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: 5
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -425.647590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.647590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.647590 (E_RNA)
where:
Base-Base interactions energy: -126.488
where: short stacking energy: -117.460
Base-Backbone interact. energy: 2.894
local terms energy: -302.053750
where:
bonds (distance) C4'-P energy: -88.293
bonds (distance) P-C4' energy: -86.200
flat angles C4'-P-C4' energy: -81.514
flat angles P-C4'-P energy: -43.048
tors. eta vs tors. theta energy: -2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -428.462871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.462871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.462871 (E_RNA)
where:
Base-Base interactions energy: -160.778
where: short stacking energy: -121.794
Base-Backbone interact. energy: -0.821
local terms energy: -266.863795
where:
bonds (distance) C4'-P energy: -72.489
bonds (distance) P-C4' energy: -70.054
flat angles C4'-P-C4' energy: -78.481
flat angles P-C4'-P energy: -45.015
tors. eta vs tors. theta energy: -0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -392.421864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.421864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.421864 (E_RNA)
where:
Base-Base interactions energy: -128.442
where: short stacking energy: -106.664
Base-Backbone interact. energy: -0.069
local terms energy: -263.911214
where:
bonds (distance) C4'-P energy: -86.289
bonds (distance) P-C4' energy: -73.402
flat angles C4'-P-C4' energy: -63.245
flat angles P-C4'-P energy: -39.709
tors. eta vs tors. theta energy: -1.265
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: 106
Temperature: 1.350000
Total energy: -360.976021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.976021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.976021 (E_RNA)
where:
Base-Base interactions energy: -113.961
where: short stacking energy: -97.776
Base-Backbone interact. energy: -0.727
local terms energy: -246.287953
where:
bonds (distance) C4'-P energy: -77.046
bonds (distance) P-C4' energy: -85.578
flat angles C4'-P-C4' energy: -58.775
flat angles P-C4'-P energy: -34.522
tors. eta vs tors. theta energy: 9.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1175.470590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.470590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.470590 (E_RNA)
where:
Base-Base interactions energy: -711.200
where: short stacking energy: -412.814
Base-Backbone interact. energy: -3.650
local terms energy: -460.620943
where:
bonds (distance) C4'-P energy: -88.503
bonds (distance) P-C4' energy: -89.521
flat angles C4'-P-C4' energy: -96.880
flat angles P-C4'-P energy: -66.593
tors. eta vs tors. theta energy: -119.124
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: 3
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1059.939085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.939085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.939085 (E_RNA)
where:
Base-Base interactions energy: -591.631
where: short stacking energy: -355.797
Base-Backbone interact. energy: -1.643
local terms energy: -466.664722
where:
bonds (distance) C4'-P energy: -94.672
bonds (distance) P-C4' energy: -101.679
flat angles C4'-P-C4' energy: -99.617
flat angles P-C4'-P energy: -66.358
tors. eta vs tors. theta energy: -104.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -836.321929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.321929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.321929 (E_RNA)
where:
Base-Base interactions energy: -459.941
where: short stacking energy: -284.266
Base-Backbone interact. energy: 1.130
local terms energy: -377.511201
where:
bonds (distance) C4'-P energy: -77.646
bonds (distance) P-C4' energy: -85.825
flat angles C4'-P-C4' energy: -92.390
flat angles P-C4'-P energy: -59.373
tors. eta vs tors. theta energy: -62.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -795.067823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.067823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.067823 (E_RNA)
where:
Base-Base interactions energy: -404.861
where: short stacking energy: -294.465
Base-Backbone interact. energy: -1.122
local terms energy: -389.085281
where:
bonds (distance) C4'-P energy: -89.226
bonds (distance) P-C4' energy: -91.509
flat angles C4'-P-C4' energy: -77.707
flat angles P-C4'-P energy: -56.451
tors. eta vs tors. theta energy: -74.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -607.456615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.456615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.456615 (E_RNA)
where:
Base-Base interactions energy: -289.627
where: short stacking energy: -201.243
Base-Backbone interact. energy: 3.150
local terms energy: -320.978983
where:
bonds (distance) C4'-P energy: -79.329
bonds (distance) P-C4' energy: -77.149
flat angles C4'-P-C4' energy: -88.043
flat angles P-C4'-P energy: -52.256
tors. eta vs tors. theta energy: -24.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -598.205845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.205845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.205845 (E_RNA)
where:
Base-Base interactions energy: -283.196
where: short stacking energy: -187.601
Base-Backbone interact. energy: -2.579
local terms energy: -312.430392
where:
bonds (distance) C4'-P energy: -81.241
bonds (distance) P-C4' energy: -87.531
flat angles C4'-P-C4' energy: -75.353
flat angles P-C4'-P energy: -47.303
tors. eta vs tors. theta energy: -21.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -456.431832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.431832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.431832 (E_RNA)
where:
Base-Base interactions energy: -169.076
where: short stacking energy: -143.477
Base-Backbone interact. energy: 3.355
local terms energy: -290.710877
where:
bonds (distance) C4'-P energy: -85.956
bonds (distance) P-C4' energy: -74.974
flat angles C4'-P-C4' energy: -67.544
flat angles P-C4'-P energy: -52.091
tors. eta vs tors. theta energy: -10.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -428.017161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.017161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.017161 (E_RNA)
where:
Base-Base interactions energy: -157.333
where: short stacking energy: -145.919
Base-Backbone interact. energy: 0.392
local terms energy: -271.075924
where:
bonds (distance) C4'-P energy: -71.433
bonds (distance) P-C4' energy: -91.800
flat angles C4'-P-C4' energy: -76.428
flat angles P-C4'-P energy: -33.380
tors. eta vs tors. theta energy: 1.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -373.933836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.933836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.933836 (E_RNA)
where:
Base-Base interactions energy: -111.896
where: short stacking energy: -91.645
Base-Backbone interact. energy: -2.195
local terms energy: -259.842714
where:
bonds (distance) C4'-P energy: -87.427
bonds (distance) P-C4' energy: -73.011
flat angles C4'-P-C4' energy: -67.723
flat angles P-C4'-P energy: -36.433
tors. eta vs tors. theta energy: 4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -357.152687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.152687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.152687 (E_RNA)
where:
Base-Base interactions energy: -112.939
where: short stacking energy: -102.355
Base-Backbone interact. energy: 2.359
local terms energy: -246.571917
where:
bonds (distance) C4'-P energy: -74.103
bonds (distance) P-C4' energy: -76.459
flat angles C4'-P-C4' energy: -72.292
flat angles P-C4'-P energy: -42.683
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: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1168.922771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.922771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.922771 (E_RNA)
where:
Base-Base interactions energy: -692.582
where: short stacking energy: -394.644
Base-Backbone interact. energy: -1.279
local terms energy: -475.061660
where:
bonds (distance) C4'-P energy: -98.432
bonds (distance) P-C4' energy: -98.342
flat angles C4'-P-C4' energy: -103.668
flat angles P-C4'-P energy: -67.340
tors. eta vs tors. theta energy: -107.280
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: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1076.846827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.846827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.846827 (E_RNA)
where:
Base-Base interactions energy: -622.262
where: short stacking energy: -371.622
Base-Backbone interact. energy: -0.665
local terms energy: -453.920175
where:
bonds (distance) C4'-P energy: -90.896
bonds (distance) P-C4' energy: -93.297
flat angles C4'-P-C4' energy: -104.401
flat angles P-C4'-P energy: -61.617
tors. eta vs tors. theta energy: -103.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -906.051464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.051464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.051464 (E_RNA)
where:
Base-Base interactions energy: -487.053
where: short stacking energy: -302.675
Base-Backbone interact. energy: -1.388
local terms energy: -417.610637
where:
bonds (distance) C4'-P energy: -91.751
bonds (distance) P-C4' energy: -95.804
flat angles C4'-P-C4' energy: -91.105
flat angles P-C4'-P energy: -59.871
tors. eta vs tors. theta energy: -79.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -811.662023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.662023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.662023 (E_RNA)
where:
Base-Base interactions energy: -414.224
where: short stacking energy: -276.907
Base-Backbone interact. energy: -0.156
local terms energy: -397.281954
where:
bonds (distance) C4'-P energy: -79.032
bonds (distance) P-C4' energy: -86.072
flat angles C4'-P-C4' energy: -86.173
flat angles P-C4'-P energy: -73.805
tors. eta vs tors. theta energy: -72.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -652.646354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.646354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.646354 (E_RNA)
where:
Base-Base interactions energy: -294.443
where: short stacking energy: -188.214
Base-Backbone interact. energy: -1.090
local terms energy: -357.113195
where:
bonds (distance) C4'-P energy: -81.097
bonds (distance) P-C4' energy: -89.494
flat angles C4'-P-C4' energy: -87.251
flat angles P-C4'-P energy: -58.345
tors. eta vs tors. theta energy: -40.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -526.275899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.275899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.275899 (E_RNA)
where:
Base-Base interactions energy: -225.877
where: short stacking energy: -157.187
Base-Backbone interact. energy: 2.989
local terms energy: -303.388065
where:
bonds (distance) C4'-P energy: -72.138
bonds (distance) P-C4' energy: -95.201
flat angles C4'-P-C4' energy: -79.157
flat angles P-C4'-P energy: -43.858
tors. eta vs tors. theta energy: -13.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -480.857471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.857471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.857471 (E_RNA)
where:
Base-Base interactions energy: -189.379
where: short stacking energy: -172.837
Base-Backbone interact. energy: -0.057
local terms energy: -291.421665
where:
bonds (distance) C4'-P energy: -80.438
bonds (distance) P-C4' energy: -76.116
flat angles C4'-P-C4' energy: -73.953
flat angles P-C4'-P energy: -35.437
tors. eta vs tors. theta energy: -25.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -430.144752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.144752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.144752 (E_RNA)
where:
Base-Base interactions energy: -148.914
where: short stacking energy: -123.402
Base-Backbone interact. energy: -1.557
local terms energy: -279.673976
where:
bonds (distance) C4'-P energy: -89.350
bonds (distance) P-C4' energy: -80.509
flat angles C4'-P-C4' energy: -67.446
flat angles P-C4'-P energy: -36.664
tors. eta vs tors. theta energy: -5.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -393.966488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.966488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.966488 (E_RNA)
where:
Base-Base interactions energy: -140.712
where: short stacking energy: -110.921
Base-Backbone interact. energy: 2.844
local terms energy: -256.098828
where:
bonds (distance) C4'-P energy: -65.884
bonds (distance) P-C4' energy: -87.740
flat angles C4'-P-C4' energy: -65.922
flat angles P-C4'-P energy: -43.799
tors. eta vs tors. theta energy: 7.247
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: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -350.127105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.127105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.127105 (E_RNA)
where:
Base-Base interactions energy: -104.189
where: short stacking energy: -99.346
Base-Backbone interact. energy: -1.195
local terms energy: -244.743058
where:
bonds (distance) C4'-P energy: -85.872
bonds (distance) P-C4' energy: -65.164
flat angles C4'-P-C4' energy: -74.900
flat angles P-C4'-P energy: -34.154
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: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1140.900072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.900072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.900072 (E_RNA)
where:
Base-Base interactions energy: -656.027
where: short stacking energy: -380.757
Base-Backbone interact. energy: -4.132
local terms energy: -480.740926
where:
bonds (distance) C4'-P energy: -98.691
bonds (distance) P-C4' energy: -97.853
flat angles C4'-P-C4' energy: -101.311
flat angles P-C4'-P energy: -76.584
tors. eta vs tors. theta energy: -106.303
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: 2, replica: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1042.634644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.634644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.634644 (E_RNA)
where:
Base-Base interactions energy: -597.920
where: short stacking energy: -398.176
Base-Backbone interact. energy: 0.621
local terms energy: -445.335277
where:
bonds (distance) C4'-P energy: -78.917
bonds (distance) P-C4' energy: -97.354
flat angles C4'-P-C4' energy: -94.951
flat angles P-C4'-P energy: -63.527
tors. eta vs tors. theta energy: -110.586
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: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -899.246140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.246140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.246140 (E_RNA)
where:
Base-Base interactions energy: -476.117
where: short stacking energy: -308.256
Base-Backbone interact. energy: -0.064
local terms energy: -423.065111
where:
bonds (distance) C4'-P energy: -81.955
bonds (distance) P-C4' energy: -95.028
flat angles C4'-P-C4' energy: -98.125
flat angles P-C4'-P energy: -56.460
tors. eta vs tors. theta energy: -91.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -811.907171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.907171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.907171 (E_RNA)
where:
Base-Base interactions energy: -417.568
where: short stacking energy: -258.904
Base-Backbone interact. energy: -0.450
local terms energy: -393.889287
where:
bonds (distance) C4'-P energy: -77.254
bonds (distance) P-C4' energy: -94.000
flat angles C4'-P-C4' energy: -82.693
flat angles P-C4'-P energy: -66.662
tors. eta vs tors. theta energy: -73.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -605.698591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.698591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.698591 (E_RNA)
where:
Base-Base interactions energy: -287.074
where: short stacking energy: -209.287
Base-Backbone interact. energy: 2.314
local terms energy: -320.938065
where:
bonds (distance) C4'-P energy: -75.151
bonds (distance) P-C4' energy: -91.063
flat angles C4'-P-C4' energy: -78.701
flat angles P-C4'-P energy: -40.737
tors. eta vs tors. theta energy: -35.286
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: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -501.546795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.546795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.546795 (E_RNA)
where:
Base-Base interactions energy: -202.702
where: short stacking energy: -171.399
Base-Backbone interact. energy: 1.537
local terms energy: -300.381618
where:
bonds (distance) C4'-P energy: -73.930
bonds (distance) P-C4' energy: -83.352
flat angles C4'-P-C4' energy: -75.963
flat angles P-C4'-P energy: -46.399
tors. eta vs tors. theta energy: -20.738
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: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -510.047274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.047274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.047274 (E_RNA)
where:
Base-Base interactions energy: -209.473
where: short stacking energy: -164.552
Base-Backbone interact. energy: 0.302
local terms energy: -300.876024
where:
bonds (distance) C4'-P energy: -85.369
bonds (distance) P-C4' energy: -79.265
flat angles C4'-P-C4' energy: -79.014
flat angles P-C4'-P energy: -26.843
tors. eta vs tors. theta energy: -30.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -412.946437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.946437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.946437 (E_RNA)
where:
Base-Base interactions energy: -137.402
where: short stacking energy: -134.533
Base-Backbone interact. energy: 1.053
local terms energy: -276.597977
where:
bonds (distance) C4'-P energy: -79.159
bonds (distance) P-C4' energy: -81.806
flat angles C4'-P-C4' energy: -70.783
flat angles P-C4'-P energy: -37.303
tors. eta vs tors. theta energy: -7.547
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: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -370.308570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.308570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.308570 (E_RNA)
where:
Base-Base interactions energy: -127.517
where: short stacking energy: -117.080
Base-Backbone interact. energy: -1.482
local terms energy: -241.309353
where:
bonds (distance) C4'-P energy: -68.314
bonds (distance) P-C4' energy: -73.601
flat angles C4'-P-C4' energy: -78.287
flat angles P-C4'-P energy: -25.436
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: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -392.705147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.705147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.705147 (E_RNA)
where:
Base-Base interactions energy: -145.255
where: short stacking energy: -127.839
Base-Backbone interact. energy: 2.442
local terms energy: -249.891664
where:
bonds (distance) C4'-P energy: -59.614
bonds (distance) P-C4' energy: -90.411
flat angles C4'-P-C4' energy: -73.909
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1132.920015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.920015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.920015 (E_RNA)
where:
Base-Base interactions energy: -666.322
where: short stacking energy: -387.024
Base-Backbone interact. energy: -1.881
local terms energy: -464.716986
where:
bonds (distance) C4'-P energy: -86.372
bonds (distance) P-C4' energy: -103.146
flat angles C4'-P-C4' energy: -95.997
flat angles P-C4'-P energy: -69.668
tors. eta vs tors. theta energy: -109.534
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: 3
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1025.076905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.076905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.076905 (E_RNA)
where:
Base-Base interactions energy: -581.551
where: short stacking energy: -355.653
Base-Backbone interact. energy: -0.377
local terms energy: -443.148686
where:
bonds (distance) C4'-P energy: -79.243
bonds (distance) P-C4' energy: -96.334
flat angles C4'-P-C4' energy: -106.116
flat angles P-C4'-P energy: -61.940
tors. eta vs tors. theta energy: -99.515
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: 8
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -937.158696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.158696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.158696 (E_RNA)
where:
Base-Base interactions energy: -507.221
where: short stacking energy: -320.128
Base-Backbone interact. energy: -1.311
local terms energy: -428.626476
where:
bonds (distance) C4'-P energy: -86.138
bonds (distance) P-C4' energy: -93.652
flat angles C4'-P-C4' energy: -91.384
flat angles P-C4'-P energy: -59.717
tors. eta vs tors. theta energy: -97.735
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: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -809.833152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.833152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.833152 (E_RNA)
where:
Base-Base interactions energy: -453.734
where: short stacking energy: -282.875
Base-Backbone interact. energy: -2.594
local terms energy: -353.505026
where:
bonds (distance) C4'-P energy: -78.839
bonds (distance) P-C4' energy: -92.650
flat angles C4'-P-C4' energy: -76.251
flat angles P-C4'-P energy: -44.807
tors. eta vs tors. theta energy: -60.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -736.853448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.853448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.853448 (E_RNA)
where:
Base-Base interactions energy: -374.567
where: short stacking energy: -241.755
Base-Backbone interact. energy: -1.096
local terms energy: -361.190297
where:
bonds (distance) C4'-P energy: -86.155
bonds (distance) P-C4' energy: -90.559
flat angles C4'-P-C4' energy: -89.401
flat angles P-C4'-P energy: -44.382
tors. eta vs tors. theta energy: -50.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -484.103153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.103153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.103153 (E_RNA)
where:
Base-Base interactions energy: -199.280
where: short stacking energy: -157.352
Base-Backbone interact. energy: -1.043
local terms energy: -283.780637
where:
bonds (distance) C4'-P energy: -88.178
bonds (distance) P-C4' energy: -82.319
flat angles C4'-P-C4' energy: -59.718
flat angles P-C4'-P energy: -42.815
tors. eta vs tors. theta energy: -10.750
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: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -515.486040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.486040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.486040 (E_RNA)
where:
Base-Base interactions energy: -217.381
where: short stacking energy: -163.977
Base-Backbone interact. energy: -1.032
local terms energy: -297.072436
where:
bonds (distance) C4'-P energy: -80.896
bonds (distance) P-C4' energy: -70.488
flat angles C4'-P-C4' energy: -77.455
flat angles P-C4'-P energy: -51.701
tors. eta vs tors. theta energy: -16.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -440.890417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.890417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.890417 (E_RNA)
where:
Base-Base interactions energy: -149.181
where: short stacking energy: -123.731
Base-Backbone interact. energy: 3.386
local terms energy: -295.095151
where:
bonds (distance) C4'-P energy: -88.418
bonds (distance) P-C4' energy: -82.731
flat angles C4'-P-C4' energy: -70.668
flat angles P-C4'-P energy: -54.242
tors. eta vs tors. theta energy: 0.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -373.428163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.428163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.428163 (E_RNA)
where:
Base-Base interactions energy: -118.587
where: short stacking energy: -104.742
Base-Backbone interact. energy: 0.549
local terms energy: -255.389956
where:
bonds (distance) C4'-P energy: -77.858
bonds (distance) P-C4' energy: -81.608
flat angles C4'-P-C4' energy: -59.121
flat angles P-C4'-P energy: -37.938
tors. eta vs tors. theta energy: 1.135
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: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -359.841387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.841387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.841387 (E_RNA)
where:
Base-Base interactions energy: -135.449
where: short stacking energy: -125.791
Base-Backbone interact. energy: 1.546
local terms energy: -225.938325
where:
bonds (distance) C4'-P energy: -78.516
bonds (distance) P-C4' energy: -72.024
flat angles C4'-P-C4' energy: -49.074
flat angles P-C4'-P energy: -25.964
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: 111
Temperature: 0.900000
Total energy: -1130.061689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.061689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.061689 (E_RNA)
where:
Base-Base interactions energy: -650.803
where: short stacking energy: -370.506
Base-Backbone interact. energy: -1.610
local terms energy: -477.648922
where:
bonds (distance) C4'-P energy: -91.959
bonds (distance) P-C4' energy: -100.262
flat angles C4'-P-C4' energy: -102.892
flat angles P-C4'-P energy: -75.891
tors. eta vs tors. theta energy: -106.645
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: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1029.631658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.631658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.631658 (E_RNA)
where:
Base-Base interactions energy: -591.661
where: short stacking energy: -339.685
Base-Backbone interact. energy: -2.624
local terms energy: -435.346580
where:
bonds (distance) C4'-P energy: -87.626
bonds (distance) P-C4' energy: -92.148
flat angles C4'-P-C4' energy: -97.704
flat angles P-C4'-P energy: -62.517
tors. eta vs tors. theta energy: -95.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -903.644642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.644642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.644642 (E_RNA)
where:
Base-Base interactions energy: -491.171
where: short stacking energy: -290.815
Base-Backbone interact. energy: -1.277
local terms energy: -411.197083
where:
bonds (distance) C4'-P energy: -89.443
bonds (distance) P-C4' energy: -90.199
flat angles C4'-P-C4' energy: -94.347
flat angles P-C4'-P energy: -57.082
tors. eta vs tors. theta energy: -80.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -750.892714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.892714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.892714 (E_RNA)
where:
Base-Base interactions energy: -367.701
where: short stacking energy: -257.982
Base-Backbone interact. energy: -2.037
local terms energy: -381.154659
where:
bonds (distance) C4'-P energy: -85.958
bonds (distance) P-C4' energy: -95.447
flat angles C4'-P-C4' energy: -86.360
flat angles P-C4'-P energy: -60.900
tors. eta vs tors. theta energy: -52.489
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: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -709.002565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.002565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.002565 (E_RNA)
where:
Base-Base interactions energy: -347.095
where: short stacking energy: -208.203
Base-Backbone interact. energy: 0.234
local terms energy: -362.141119
where:
bonds (distance) C4'-P energy: -80.877
bonds (distance) P-C4' energy: -90.022
flat angles C4'-P-C4' energy: -79.935
flat angles P-C4'-P energy: -64.800
tors. eta vs tors. theta energy: -46.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -611.776566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.776566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.776566 (E_RNA)
where:
Base-Base interactions energy: -300.986
where: short stacking energy: -203.614
Base-Backbone interact. energy: 4.687
local terms energy: -315.477539
where:
bonds (distance) C4'-P energy: -77.829
bonds (distance) P-C4' energy: -77.874
flat angles C4'-P-C4' energy: -77.576
flat angles P-C4'-P energy: -50.358
tors. eta vs tors. theta energy: -31.841
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: 7, replica: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -448.093937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.093937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.093937 (E_RNA)
where:
Base-Base interactions energy: -174.179
where: short stacking energy: -153.167
Base-Backbone interact. energy: 3.564
local terms energy: -277.478775
where:
bonds (distance) C4'-P energy: -87.251
bonds (distance) P-C4' energy: -75.969
flat angles C4'-P-C4' energy: -70.633
flat angles P-C4'-P energy: -36.302
tors. eta vs tors. theta energy: -7.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -412.963392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.963392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.963392 (E_RNA)
where:
Base-Base interactions energy: -148.977
where: short stacking energy: -130.365
Base-Backbone interact. energy: -0.100
local terms energy: -263.887101
where:
bonds (distance) C4'-P energy: -75.848
bonds (distance) P-C4' energy: -73.937
flat angles C4'-P-C4' energy: -72.741
flat angles P-C4'-P energy: -34.750
tors. eta vs tors. theta energy: -6.611
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: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -364.163855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.163855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.163855 (E_RNA)
where:
Base-Base interactions energy: -106.751
where: short stacking energy: -98.380
Base-Backbone interact. energy: 1.776
local terms energy: -259.189173
where:
bonds (distance) C4'-P energy: -82.280
bonds (distance) P-C4' energy: -76.223
flat angles C4'-P-C4' energy: -79.113
flat angles P-C4'-P energy: -34.406
tors. eta vs tors. theta energy: 12.833
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: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -357.996593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.996593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.996593 (E_RNA)
where:
Base-Base interactions energy: -127.867
where: short stacking energy: -99.312
Base-Backbone interact. energy: 3.147
local terms energy: -233.276586
where:
bonds (distance) C4'-P energy: -65.656
bonds (distance) P-C4' energy: -75.252
flat angles C4'-P-C4' energy: -70.954
flat angles P-C4'-P energy: -38.985
tors. eta vs tors. theta energy: 17.569
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)
out arg RESULTS//1/ABO-148ins-94557938_01
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1129.760922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.760922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.760922 (E_RNA)
where:
Base-Base interactions energy: -682.615
where: short stacking energy: -412.460
Base-Backbone interact. energy: 0.743
local terms energy: -447.889712
where:
bonds (distance) C4'-P energy: -83.361
bonds (distance) P-C4' energy: -94.662
flat angles C4'-P-C4' energy: -95.254
flat angles P-C4'-P energy: -57.142
tors. eta vs tors. theta energy: -117.471
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: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1045.639163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.639163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.639163 (E_RNA)
where:
Base-Base interactions energy: -619.271
where: short stacking energy: -379.617
Base-Backbone interact. energy: -0.357
local terms energy: -426.010844
where:
bonds (distance) C4'-P energy: -88.770
bonds (distance) P-C4' energy: -88.299
flat angles C4'-P-C4' energy: -94.444
flat angles P-C4'-P energy: -51.229
tors. eta vs tors. theta energy: -103.269
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: 8
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -889.445561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.445561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.445561 (E_RNA)
where:
Base-Base interactions energy: -480.491
where: short stacking energy: -291.762
Base-Backbone interact. energy: 0.228
local terms energy: -409.182264
where:
bonds (distance) C4'-P energy: -74.898
bonds (distance) P-C4' energy: -96.269
flat angles C4'-P-C4' energy: -94.713
flat angles P-C4'-P energy: -62.431
tors. eta vs tors. theta energy: -80.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -743.583873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.583873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.583873 (E_RNA)
where:
Base-Base interactions energy: -384.767
where: short stacking energy: -240.250
Base-Backbone interact. energy: 0.870
local terms energy: -359.687235
where:
bonds (distance) C4'-P energy: -81.458
bonds (distance) P-C4' energy: -80.891
flat angles C4'-P-C4' energy: -87.093
flat angles P-C4'-P energy: -66.844
tors. eta vs tors. theta energy: -43.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -681.019486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.019486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.019486 (E_RNA)
where:
Base-Base interactions energy: -326.632
where: short stacking energy: -224.735
Base-Backbone interact. energy: 0.046
local terms energy: -354.433361
where:
bonds (distance) C4'-P energy: -80.113
bonds (distance) P-C4' energy: -86.753
flat angles C4'-P-C4' energy: -88.951
flat angles P-C4'-P energy: -50.840
tors. eta vs tors. theta energy: -47.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -610.253897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.253897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.253897 (E_RNA)
where:
Base-Base interactions energy: -287.255
where: short stacking energy: -180.347
Base-Backbone interact. energy: 2.234
local terms energy: -325.232907
where:
bonds (distance) C4'-P energy: -84.934
bonds (distance) P-C4' energy: -98.009
flat angles C4'-P-C4' energy: -71.288
flat angles P-C4'-P energy: -42.929
tors. eta vs tors. theta energy: -28.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -496.593564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.593564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.593564 (E_RNA)
where:
Base-Base interactions energy: -187.722
where: short stacking energy: -150.994
Base-Backbone interact. energy: -1.569
local terms energy: -307.302647
where:
bonds (distance) C4'-P energy: -77.598
bonds (distance) P-C4' energy: -77.850
flat angles C4'-P-C4' energy: -75.300
flat angles P-C4'-P energy: -59.281
tors. eta vs tors. theta energy: -17.273
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: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -413.288267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.288267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.288267 (E_RNA)
where:
Base-Base interactions energy: -139.803
where: short stacking energy: -125.158
Base-Backbone interact. energy: -1.034
local terms energy: -272.450626
where:
bonds (distance) C4'-P energy: -76.144
bonds (distance) P-C4' energy: -71.153
flat angles C4'-P-C4' energy: -71.836
flat angles P-C4'-P energy: -49.000
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -370.584421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.584421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.584421 (E_RNA)
where:
Base-Base interactions energy: -115.886
where: short stacking energy: -104.159
Base-Backbone interact. energy: -1.994
local terms energy: -252.704995
where:
bonds (distance) C4'-P energy: -74.631
bonds (distance) P-C4' energy: -81.800
flat angles C4'-P-C4' energy: -61.608
flat angles P-C4'-P energy: -42.536
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: 10, replica: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -352.342462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.342462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.342462 (E_RNA)
where:
Base-Base interactions energy: -121.592
where: short stacking energy: -105.794
Base-Backbone interact. energy: -1.254
local terms energy: -229.495708
where:
bonds (distance) C4'-P energy: -79.941
bonds (distance) P-C4' energy: -75.199
flat angles C4'-P-C4' energy: -66.713
flat angles P-C4'-P energy: -32.901
tors. eta vs tors. theta energy: 25.259
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1161.336776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.336776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.336776 (E_RNA)
where:
Base-Base interactions energy: -704.117
where: short stacking energy: -406.876
Base-Backbone interact. energy: -1.929
local terms energy: -455.290797
where:
bonds (distance) C4'-P energy: -89.389
bonds (distance) P-C4' energy: -88.040
flat angles C4'-P-C4' energy: -107.528
flat angles P-C4'-P energy: -64.530
tors. eta vs tors. theta energy: -105.803
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: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1044.671974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.671974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.671974 (E_RNA)
where:
Base-Base interactions energy: -620.752
where: short stacking energy: -349.127
Base-Backbone interact. energy: -0.831
local terms energy: -423.089420
where:
bonds (distance) C4'-P energy: -85.275
bonds (distance) P-C4' energy: -88.253
flat angles C4'-P-C4' energy: -84.743
flat angles P-C4'-P energy: -68.912
tors. eta vs tors. theta energy: -95.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -936.850792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.850792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.850792 (E_RNA)
where:
Base-Base interactions energy: -521.385
where: short stacking energy: -314.758
Base-Backbone interact. energy: 1.826
local terms energy: -417.291541
where:
bonds (distance) C4'-P energy: -86.163
bonds (distance) P-C4' energy: -99.514
flat angles C4'-P-C4' energy: -79.530
flat angles P-C4'-P energy: -66.148
tors. eta vs tors. theta energy: -85.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -743.695028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.695028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.695028 (E_RNA)
where:
Base-Base interactions energy: -363.906
where: short stacking energy: -248.924
Base-Backbone interact. energy: -0.086
local terms energy: -379.703318
where:
bonds (distance) C4'-P energy: -91.334
bonds (distance) P-C4' energy: -85.823
flat angles C4'-P-C4' energy: -91.301
flat angles P-C4'-P energy: -56.673
tors. eta vs tors. theta energy: -54.573
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: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -708.236274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.236274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.236274 (E_RNA)
where:
Base-Base interactions energy: -343.626
where: short stacking energy: -232.088
Base-Backbone interact. energy: 2.479
local terms energy: -367.089378
where:
bonds (distance) C4'-P energy: -76.545
bonds (distance) P-C4' energy: -95.653
flat angles C4'-P-C4' energy: -94.414
flat angles P-C4'-P energy: -58.594
tors. eta vs tors. theta energy: -41.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -629.321199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.321199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.321199 (E_RNA)
where:
Base-Base interactions energy: -300.917
where: short stacking energy: -202.221
Base-Backbone interact. energy: 0.706
local terms energy: -329.110741
where:
bonds (distance) C4'-P energy: -76.967
bonds (distance) P-C4' energy: -79.345
flat angles C4'-P-C4' energy: -91.430
flat angles P-C4'-P energy: -49.772
tors. eta vs tors. theta energy: -31.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -513.140942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.140942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.140942 (E_RNA)
where:
Base-Base interactions energy: -231.220
where: short stacking energy: -148.607
Base-Backbone interact. energy: -2.370
local terms energy: -279.551330
where:
bonds (distance) C4'-P energy: -83.751
bonds (distance) P-C4' energy: -77.931
flat angles C4'-P-C4' energy: -80.493
flat angles P-C4'-P energy: -37.549
tors. eta vs tors. theta energy: 0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -425.130507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.130507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.130507 (E_RNA)
where:
Base-Base interactions energy: -152.178
where: short stacking energy: -142.255
Base-Backbone interact. energy: -1.213
local terms energy: -271.739585
where:
bonds (distance) C4'-P energy: -79.869
bonds (distance) P-C4' energy: -83.627
flat angles C4'-P-C4' energy: -68.570
flat angles P-C4'-P energy: -29.871
tors. eta vs tors. theta energy: -9.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -359.480271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.480271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.480271 (E_RNA)
where:
Base-Base interactions energy: -101.288
where: short stacking energy: -84.227
Base-Backbone interact. energy: 0.980
local terms energy: -259.172035
where:
bonds (distance) C4'-P energy: -70.785
bonds (distance) P-C4' energy: -91.876
flat angles C4'-P-C4' energy: -67.561
flat angles P-C4'-P energy: -43.794
tors. eta vs tors. theta energy: 14.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -361.829863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.829863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.829863 (E_RNA)
where:
Base-Base interactions energy: -116.065
where: short stacking energy: -95.679
Base-Backbone interact. energy: 2.144
local terms energy: -247.909049
where:
bonds (distance) C4'-P energy: -91.427
bonds (distance) P-C4' energy: -80.267
flat angles C4'-P-C4' energy: -55.214
flat angles P-C4'-P energy: -48.508
tors. eta vs tors. theta energy: 27.508
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1162.558156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.558156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.558156 (E_RNA)
where:
Base-Base interactions energy: -690.143
where: short stacking energy: -420.369
Base-Backbone interact. energy: -3.045
local terms energy: -469.369952
where:
bonds (distance) C4'-P energy: -85.519
bonds (distance) P-C4' energy: -95.530
flat angles C4'-P-C4' energy: -104.521
flat angles P-C4'-P energy: -58.370
tors. eta vs tors. theta energy: -125.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1001.334698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.334698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.334698 (E_RNA)
where:
Base-Base interactions energy: -575.246
where: short stacking energy: -339.904
Base-Backbone interact. energy: -1.652
local terms energy: -424.436108
where:
bonds (distance) C4'-P energy: -96.382
bonds (distance) P-C4' energy: -89.356
flat angles C4'-P-C4' energy: -97.550
flat angles P-C4'-P energy: -54.754
tors. eta vs tors. theta energy: -86.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -886.805508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.805508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.805508 (E_RNA)
where:
Base-Base interactions energy: -482.616
where: short stacking energy: -298.574
Base-Backbone interact. energy: 1.092
local terms energy: -405.280921
where:
bonds (distance) C4'-P energy: -82.043
bonds (distance) P-C4' energy: -87.155
flat angles C4'-P-C4' energy: -98.806
flat angles P-C4'-P energy: -58.580
tors. eta vs tors. theta energy: -78.696
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: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -750.498983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.498983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.498983 (E_RNA)
where:
Base-Base interactions energy: -390.936
where: short stacking energy: -277.425
Base-Backbone interact. energy: 3.379
local terms energy: -362.942301
where:
bonds (distance) C4'-P energy: -77.988
bonds (distance) P-C4' energy: -94.045
flat angles C4'-P-C4' energy: -93.842
flat angles P-C4'-P energy: -41.851
tors. eta vs tors. theta energy: -55.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -714.570077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.570077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.570077 (E_RNA)
where:
Base-Base interactions energy: -375.187
where: short stacking energy: -241.194
Base-Backbone interact. energy: -0.760
local terms energy: -338.622929
where:
bonds (distance) C4'-P energy: -75.748
bonds (distance) P-C4' energy: -89.623
flat angles C4'-P-C4' energy: -84.652
flat angles P-C4'-P energy: -39.216
tors. eta vs tors. theta energy: -49.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -653.893455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.893455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.893455 (E_RNA)
where:
Base-Base interactions energy: -329.965
where: short stacking energy: -195.856
Base-Backbone interact. energy: -1.440
local terms energy: -322.488183
where:
bonds (distance) C4'-P energy: -73.842
bonds (distance) P-C4' energy: -79.517
flat angles C4'-P-C4' energy: -89.163
flat angles P-C4'-P energy: -52.580
tors. eta vs tors. theta energy: -27.386
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: 6
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -488.301769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.301769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.301769 (E_RNA)
where:
Base-Base interactions energy: -198.802
where: short stacking energy: -162.963
Base-Backbone interact. energy: 0.858
local terms energy: -290.357687
where:
bonds (distance) C4'-P energy: -82.258
bonds (distance) P-C4' energy: -69.285
flat angles C4'-P-C4' energy: -79.077
flat angles P-C4'-P energy: -42.474
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -412.801350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.801350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.801350 (E_RNA)
where:
Base-Base interactions energy: -153.016
where: short stacking energy: -131.637
Base-Backbone interact. energy: -2.136
local terms energy: -257.649433
where:
bonds (distance) C4'-P energy: -75.720
bonds (distance) P-C4' energy: -88.020
flat angles C4'-P-C4' energy: -64.511
flat angles P-C4'-P energy: -36.369
tors. eta vs tors. theta energy: 6.971
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: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -381.454898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.454898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.454898 (E_RNA)
where:
Base-Base interactions energy: -110.006
where: short stacking energy: -104.743
Base-Backbone interact. energy: 1.599
local terms energy: -273.047341
where:
bonds (distance) C4'-P energy: -78.206
bonds (distance) P-C4' energy: -83.735
flat angles C4'-P-C4' energy: -60.714
flat angles P-C4'-P energy: -47.203
tors. eta vs tors. theta energy: -3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -365.599067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.599067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.599067 (E_RNA)
where:
Base-Base interactions energy: -109.581
where: short stacking energy: -103.261
Base-Backbone interact. energy: -1.996
local terms energy: -254.021585
where:
bonds (distance) C4'-P energy: -69.018
bonds (distance) P-C4' energy: -83.674
flat angles C4'-P-C4' energy: -60.694
flat angles P-C4'-P energy: -42.207
tors. eta vs tors. theta energy: 1.572
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1138.734501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.734501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.734501 (E_RNA)
where:
Base-Base interactions energy: -669.630
where: short stacking energy: -413.855
Base-Backbone interact. energy: -1.166
local terms energy: -467.938700
where:
bonds (distance) C4'-P energy: -80.873
bonds (distance) P-C4' energy: -95.865
flat angles C4'-P-C4' energy: -107.733
flat angles P-C4'-P energy: -65.693
tors. eta vs tors. theta energy: -117.775
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: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1004.143516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.143516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.143516 (E_RNA)
where:
Base-Base interactions energy: -572.448
where: short stacking energy: -350.693
Base-Backbone interact. energy: -2.442
local terms energy: -429.253290
where:
bonds (distance) C4'-P energy: -80.728
bonds (distance) P-C4' energy: -94.871
flat angles C4'-P-C4' energy: -100.060
flat angles P-C4'-P energy: -54.748
tors. eta vs tors. theta energy: -98.846
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: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -922.028474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.028474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.028474 (E_RNA)
where:
Base-Base interactions energy: -520.723
where: short stacking energy: -321.649
Base-Backbone interact. energy: -1.458
local terms energy: -399.847743
where:
bonds (distance) C4'-P energy: -93.619
bonds (distance) P-C4' energy: -77.790
flat angles C4'-P-C4' energy: -84.670
flat angles P-C4'-P energy: -54.286
tors. eta vs tors. theta energy: -89.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -766.361577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.361577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.361577 (E_RNA)
where:
Base-Base interactions energy: -364.832
where: short stacking energy: -280.672
Base-Backbone interact. energy: -0.084
local terms energy: -401.445242
where:
bonds (distance) C4'-P energy: -91.138
bonds (distance) P-C4' energy: -83.508
flat angles C4'-P-C4' energy: -77.582
flat angles P-C4'-P energy: -68.771
tors. eta vs tors. theta energy: -80.446
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: 1
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -731.143408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.143408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.143408 (E_RNA)
where:
Base-Base interactions energy: -343.889
where: short stacking energy: -238.658
Base-Backbone interact. energy: -1.283
local terms energy: -385.971590
where:
bonds (distance) C4'-P energy: -79.976
bonds (distance) P-C4' energy: -89.750
flat angles C4'-P-C4' energy: -97.346
flat angles P-C4'-P energy: -62.604
tors. eta vs tors. theta energy: -56.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -652.548733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.548733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.548733 (E_RNA)
where:
Base-Base interactions energy: -320.015
where: short stacking energy: -209.478
Base-Backbone interact. energy: 3.289
local terms energy: -335.822909
where:
bonds (distance) C4'-P energy: -82.030
bonds (distance) P-C4' energy: -92.204
flat angles C4'-P-C4' energy: -82.686
flat angles P-C4'-P energy: -45.437
tors. eta vs tors. theta energy: -33.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -506.161840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.161840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.161840 (E_RNA)
where:
Base-Base interactions energy: -221.425
where: short stacking energy: -141.779
Base-Backbone interact. energy: 3.048
local terms energy: -287.784785
where:
bonds (distance) C4'-P energy: -73.711
bonds (distance) P-C4' energy: -73.805
flat angles C4'-P-C4' energy: -80.173
flat angles P-C4'-P energy: -51.931
tors. eta vs tors. theta energy: -8.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -415.119556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.119556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.119556 (E_RNA)
where:
Base-Base interactions energy: -163.470
where: short stacking energy: -128.919
Base-Backbone interact. energy: -1.959
local terms energy: -249.690786
where:
bonds (distance) C4'-P energy: -63.309
bonds (distance) P-C4' energy: -79.196
flat angles C4'-P-C4' energy: -72.934
flat angles P-C4'-P energy: -52.707
tors. eta vs tors. theta energy: 18.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -381.341544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.341544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.341544 (E_RNA)
where:
Base-Base interactions energy: -141.314
where: short stacking energy: -103.094
Base-Backbone interact. energy: 4.027
local terms energy: -244.054954
where:
bonds (distance) C4'-P energy: -76.183
bonds (distance) P-C4' energy: -80.865
flat angles C4'-P-C4' energy: -63.205
flat angles P-C4'-P energy: -33.830
tors. eta vs tors. theta energy: 10.029
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: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -368.444502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.444502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.444502 (E_RNA)
where:
Base-Base interactions energy: -121.283
where: short stacking energy: -109.106
Base-Backbone interact. energy: 0.129
local terms energy: -247.290049
where:
bonds (distance) C4'-P energy: -75.851
bonds (distance) P-C4' energy: -68.436
flat angles C4'-P-C4' energy: -70.032
flat angles P-C4'-P energy: -49.016
tors. eta vs tors. theta energy: 16.044
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1166.751820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.751820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.751820 (E_RNA)
where:
Base-Base interactions energy: -706.386
where: short stacking energy: -421.930
Base-Backbone interact. energy: -1.248
local terms energy: -459.117927
where:
bonds (distance) C4'-P energy: -86.566
bonds (distance) P-C4' energy: -97.489
flat angles C4'-P-C4' energy: -102.460
flat angles P-C4'-P energy: -53.049
tors. eta vs tors. theta energy: -119.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -990.725968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.725968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.725968 (E_RNA)
where:
Base-Base interactions energy: -582.170
where: short stacking energy: -349.601
Base-Backbone interact. energy: -1.504
local terms energy: -407.052794
where:
bonds (distance) C4'-P energy: -91.425
bonds (distance) P-C4' energy: -83.874
flat angles C4'-P-C4' energy: -83.435
flat angles P-C4'-P energy: -58.719
tors. eta vs tors. theta energy: -89.600
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: 8
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -901.353988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.353988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.353988 (E_RNA)
where:
Base-Base interactions energy: -499.385
where: short stacking energy: -304.790
Base-Backbone interact. energy: -3.854
local terms energy: -398.114735
where:
bonds (distance) C4'-P energy: -81.202
bonds (distance) P-C4' energy: -80.310
flat angles C4'-P-C4' energy: -99.410
flat angles P-C4'-P energy: -56.302
tors. eta vs tors. theta energy: -80.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -757.068244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.068244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.068244 (E_RNA)
where:
Base-Base interactions energy: -391.193
where: short stacking energy: -269.945
Base-Backbone interact. energy: 2.037
local terms energy: -367.912091
where:
bonds (distance) C4'-P energy: -85.937
bonds (distance) P-C4' energy: -90.056
flat angles C4'-P-C4' energy: -82.286
flat angles P-C4'-P energy: -49.935
tors. eta vs tors. theta energy: -59.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -662.165613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.165613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.165613 (E_RNA)
where:
Base-Base interactions energy: -336.020
where: short stacking energy: -223.792
Base-Backbone interact. energy: 0.016
local terms energy: -326.161880
where:
bonds (distance) C4'-P energy: -80.896
bonds (distance) P-C4' energy: -83.636
flat angles C4'-P-C4' energy: -82.417
flat angles P-C4'-P energy: -39.977
tors. eta vs tors. theta energy: -39.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -633.418470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.418470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.418470 (E_RNA)
where:
Base-Base interactions energy: -300.441
where: short stacking energy: -208.652
Base-Backbone interact. energy: -0.369
local terms energy: -332.608076
where:
bonds (distance) C4'-P energy: -74.264
bonds (distance) P-C4' energy: -86.241
flat angles C4'-P-C4' energy: -80.154
flat angles P-C4'-P energy: -55.900
tors. eta vs tors. theta energy: -36.049
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: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -473.175028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.175028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.175028 (E_RNA)
where:
Base-Base interactions energy: -177.130
where: short stacking energy: -148.038
Base-Backbone interact. energy: 0.336
local terms energy: -296.380998
where:
bonds (distance) C4'-P energy: -67.552
bonds (distance) P-C4' energy: -97.042
flat angles C4'-P-C4' energy: -77.153
flat angles P-C4'-P energy: -52.958
tors. eta vs tors. theta energy: -1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -465.360667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.360667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.360667 (E_RNA)
where:
Base-Base interactions energy: -184.456
where: short stacking energy: -155.526
Base-Backbone interact. energy: -0.308
local terms energy: -280.596952
where:
bonds (distance) C4'-P energy: -80.461
bonds (distance) P-C4' energy: -88.031
flat angles C4'-P-C4' energy: -57.518
flat angles P-C4'-P energy: -42.900
tors. eta vs tors. theta energy: -11.687
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: 116
Temperature: 1.300000
Total energy: -390.365315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.365315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.365315 (E_RNA)
where:
Base-Base interactions energy: -118.130
where: short stacking energy: -99.524
Base-Backbone interact. energy: 0.333
local terms energy: -272.567832
where:
bonds (distance) C4'-P energy: -67.117
bonds (distance) P-C4' energy: -78.948
flat angles C4'-P-C4' energy: -80.799
flat angles P-C4'-P energy: -55.925
tors. eta vs tors. theta energy: 10.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -373.860245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.860245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.860245 (E_RNA)
where:
Base-Base interactions energy: -107.902
where: short stacking energy: -103.334
Base-Backbone interact. energy: -0.595
local terms energy: -265.363867
where:
bonds (distance) C4'-P energy: -86.736
bonds (distance) P-C4' energy: -75.414
flat angles C4'-P-C4' energy: -67.256
flat angles P-C4'-P energy: -49.047
tors. eta vs tors. theta energy: 13.089
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1172.052474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.052474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.052474 (E_RNA)
where:
Base-Base interactions energy: -693.898
where: short stacking energy: -433.617
Base-Backbone interact. energy: 0.096
local terms energy: -478.249739
where:
bonds (distance) C4'-P energy: -95.199
bonds (distance) P-C4' energy: -96.681
flat angles C4'-P-C4' energy: -102.103
flat angles P-C4'-P energy: -64.640
tors. eta vs tors. theta energy: -119.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -997.082746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.082746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.082746 (E_RNA)
where:
Base-Base interactions energy: -534.953
where: short stacking energy: -331.923
Base-Backbone interact. energy: -0.614
local terms energy: -461.515257
where:
bonds (distance) C4'-P energy: -96.733
bonds (distance) P-C4' energy: -99.885
flat angles C4'-P-C4' energy: -97.052
flat angles P-C4'-P energy: -73.427
tors. eta vs tors. theta energy: -94.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -939.754389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.754389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.754389 (E_RNA)
where:
Base-Base interactions energy: -525.057
where: short stacking energy: -336.499
Base-Backbone interact. energy: 2.248
local terms energy: -416.944975
where:
bonds (distance) C4'-P energy: -72.715
bonds (distance) P-C4' energy: -98.304
flat angles C4'-P-C4' energy: -96.977
flat angles P-C4'-P energy: -58.848
tors. eta vs tors. theta energy: -90.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -691.243939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.243939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.243939 (E_RNA)
where:
Base-Base interactions energy: -318.685
where: short stacking energy: -241.382
Base-Backbone interact. energy: -1.232
local terms energy: -371.326741
where:
bonds (distance) C4'-P energy: -85.362
bonds (distance) P-C4' energy: -83.673
flat angles C4'-P-C4' energy: -84.428
flat angles P-C4'-P energy: -62.536
tors. eta vs tors. theta energy: -55.328
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: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -734.504670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.504670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.504670 (E_RNA)
where:
Base-Base interactions energy: -366.816
where: short stacking energy: -251.554
Base-Backbone interact. energy: -2.802
local terms energy: -364.886321
where:
bonds (distance) C4'-P energy: -79.354
bonds (distance) P-C4' energy: -89.369
flat angles C4'-P-C4' energy: -85.729
flat angles P-C4'-P energy: -40.011
tors. eta vs tors. theta energy: -70.424
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: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -597.987673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.987673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.987673 (E_RNA)
where:
Base-Base interactions energy: -282.852
where: short stacking energy: -174.141
Base-Backbone interact. energy: -0.060
local terms energy: -315.076301
where:
bonds (distance) C4'-P energy: -71.423
bonds (distance) P-C4' energy: -89.226
flat angles C4'-P-C4' energy: -81.457
flat angles P-C4'-P energy: -56.118
tors. eta vs tors. theta energy: -16.852
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: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -450.795235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.795235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.795235 (E_RNA)
where:
Base-Base interactions energy: -158.339
where: short stacking energy: -135.555
Base-Backbone interact. energy: 0.309
local terms energy: -292.765600
where:
bonds (distance) C4'-P energy: -81.101
bonds (distance) P-C4' energy: -85.820
flat angles C4'-P-C4' energy: -74.333
flat angles P-C4'-P energy: -63.871
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: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -421.872243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.872243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.872243 (E_RNA)
where:
Base-Base interactions energy: -139.437
where: short stacking energy: -116.136
Base-Backbone interact. energy: -0.496
local terms energy: -281.939309
where:
bonds (distance) C4'-P energy: -73.975
bonds (distance) P-C4' energy: -86.461
flat angles C4'-P-C4' energy: -90.237
flat angles P-C4'-P energy: -39.839
tors. eta vs tors. theta energy: 8.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -396.558743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.558743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.558743 (E_RNA)
where:
Base-Base interactions energy: -136.888
where: short stacking energy: -118.107
Base-Backbone interact. energy: -0.278
local terms energy: -259.392006
where:
bonds (distance) C4'-P energy: -77.796
bonds (distance) P-C4' energy: -77.774
flat angles C4'-P-C4' energy: -73.457
flat angles P-C4'-P energy: -41.481
tors. eta vs tors. theta energy: 11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -360.313431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.313431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.313431 (E_RNA)
where:
Base-Base interactions energy: -123.404
where: short stacking energy: -117.920
Base-Backbone interact. energy: -0.389
local terms energy: -236.520510
where:
bonds (distance) C4'-P energy: -60.946
bonds (distance) P-C4' energy: -82.683
flat angles C4'-P-C4' energy: -68.880
flat angles P-C4'-P energy: -33.858
tors. eta vs tors. theta energy: 9.847
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1136.546861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.546861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.546861 (E_RNA)
where:
Base-Base interactions energy: -660.668
where: short stacking energy: -392.871
Base-Backbone interact. energy: -0.722
local terms energy: -475.157055
where:
bonds (distance) C4'-P energy: -92.869
bonds (distance) P-C4' energy: -93.091
flat angles C4'-P-C4' energy: -102.239
flat angles P-C4'-P energy: -79.634
tors. eta vs tors. theta energy: -107.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -986.665682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.665682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.665682 (E_RNA)
where:
Base-Base interactions energy: -564.452
where: short stacking energy: -376.336
Base-Backbone interact. energy: 1.572
local terms energy: -423.786349
where:
bonds (distance) C4'-P energy: -69.727
bonds (distance) P-C4' energy: -93.517
flat angles C4'-P-C4' energy: -102.320
flat angles P-C4'-P energy: -59.520
tors. eta vs tors. theta energy: -98.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -934.229425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.229425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.229425 (E_RNA)
where:
Base-Base interactions energy: -537.097
where: short stacking energy: -333.784
Base-Backbone interact. energy: -1.009
local terms energy: -396.122996
where:
bonds (distance) C4'-P energy: -76.063
bonds (distance) P-C4' energy: -91.488
flat angles C4'-P-C4' energy: -82.487
flat angles P-C4'-P energy: -67.637
tors. eta vs tors. theta energy: -78.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -694.115852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.115852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.115852 (E_RNA)
where:
Base-Base interactions energy: -328.151
where: short stacking energy: -244.317
Base-Backbone interact. energy: -1.383
local terms energy: -364.581532
where:
bonds (distance) C4'-P energy: -87.859
bonds (distance) P-C4' energy: -92.820
flat angles C4'-P-C4' energy: -79.097
flat angles P-C4'-P energy: -56.721
tors. eta vs tors. theta energy: -48.084
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: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -682.488426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.488426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.488426 (E_RNA)
where:
Base-Base interactions energy: -348.290
where: short stacking energy: -238.768
Base-Backbone interact. energy: 2.679
local terms energy: -336.877461
where:
bonds (distance) C4'-P energy: -56.240
bonds (distance) P-C4' energy: -84.974
flat angles C4'-P-C4' energy: -82.394
flat angles P-C4'-P energy: -52.475
tors. eta vs tors. theta energy: -60.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -663.004744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.004744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.004744 (E_RNA)
where:
Base-Base interactions energy: -317.207
where: short stacking energy: -213.841
Base-Backbone interact. energy: 2.313
local terms energy: -348.110387
where:
bonds (distance) C4'-P energy: -80.501
bonds (distance) P-C4' energy: -86.255
flat angles C4'-P-C4' energy: -72.800
flat angles P-C4'-P energy: -67.314
tors. eta vs tors. theta energy: -41.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -471.882298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.882298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.882298 (E_RNA)
where:
Base-Base interactions energy: -168.716
where: short stacking energy: -146.580
Base-Backbone interact. energy: -0.427
local terms energy: -302.739125
where:
bonds (distance) C4'-P energy: -82.100
bonds (distance) P-C4' energy: -92.925
flat angles C4'-P-C4' energy: -67.852
flat angles P-C4'-P energy: -47.053
tors. eta vs tors. theta energy: -12.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -402.589145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.589145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.589145 (E_RNA)
where:
Base-Base interactions energy: -127.570
where: short stacking energy: -111.179
Base-Backbone interact. energy: 0.883
local terms energy: -275.902556
where:
bonds (distance) C4'-P energy: -80.069
bonds (distance) P-C4' energy: -85.221
flat angles C4'-P-C4' energy: -75.058
flat angles P-C4'-P energy: -48.292
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: 9, replica: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -383.217642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.217642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.217642 (E_RNA)
where:
Base-Base interactions energy: -137.501
where: short stacking energy: -116.961
Base-Backbone interact. energy: 2.539
local terms energy: -248.255757
where:
bonds (distance) C4'-P energy: -71.751
bonds (distance) P-C4' energy: -83.736
flat angles C4'-P-C4' energy: -66.118
flat angles P-C4'-P energy: -35.225
tors. eta vs tors. theta energy: 8.573
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: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -387.080480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.080480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.080480 (E_RNA)
where:
Base-Base interactions energy: -122.096
where: short stacking energy: -111.882
Base-Backbone interact. energy: -1.421
local terms energy: -263.563229
where:
bonds (distance) C4'-P energy: -81.167
bonds (distance) P-C4' energy: -87.038
flat angles C4'-P-C4' energy: -76.135
flat angles P-C4'-P energy: -42.620
tors. eta vs tors. theta energy: 23.397
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1142.771417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.771417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.771417 (E_RNA)
where:
Base-Base interactions energy: -682.063
where: short stacking energy: -381.176
Base-Backbone interact. energy: -1.283
local terms energy: -459.425502
where:
bonds (distance) C4'-P energy: -98.379
bonds (distance) P-C4' energy: -84.754
flat angles C4'-P-C4' energy: -98.692
flat angles P-C4'-P energy: -75.654
tors. eta vs tors. theta energy: -101.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -997.442825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.442825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.442825 (E_RNA)
where:
Base-Base interactions energy: -553.491
where: short stacking energy: -351.278
Base-Backbone interact. energy: -1.481
local terms energy: -442.470553
where:
bonds (distance) C4'-P energy: -80.496
bonds (distance) P-C4' energy: -92.392
flat angles C4'-P-C4' energy: -105.277
flat angles P-C4'-P energy: -72.277
tors. eta vs tors. theta energy: -92.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -919.280107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.280107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.280107 (E_RNA)
where:
Base-Base interactions energy: -514.598
where: short stacking energy: -320.203
Base-Backbone interact. energy: -0.952
local terms energy: -403.729489
where:
bonds (distance) C4'-P energy: -84.585
bonds (distance) P-C4' energy: -95.058
flat angles C4'-P-C4' energy: -94.129
flat angles P-C4'-P energy: -51.958
tors. eta vs tors. theta energy: -78.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -722.934789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.934789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.934789 (E_RNA)
where:
Base-Base interactions energy: -364.775
where: short stacking energy: -257.242
Base-Backbone interact. energy: -1.299
local terms energy: -356.861365
where:
bonds (distance) C4'-P energy: -78.914
bonds (distance) P-C4' energy: -91.854
flat angles C4'-P-C4' energy: -73.667
flat angles P-C4'-P energy: -55.170
tors. eta vs tors. theta energy: -57.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -724.096368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.096368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.096368 (E_RNA)
where:
Base-Base interactions energy: -355.670
where: short stacking energy: -253.798
Base-Backbone interact. energy: -2.344
local terms energy: -366.082265
where:
bonds (distance) C4'-P energy: -87.367
bonds (distance) P-C4' energy: -90.393
flat angles C4'-P-C4' energy: -80.492
flat angles P-C4'-P energy: -53.559
tors. eta vs tors. theta energy: -54.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -638.002093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.002093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.002093 (E_RNA)
where:
Base-Base interactions energy: -306.129
where: short stacking energy: -217.730
Base-Backbone interact. energy: 4.811
local terms energy: -336.684837
where:
bonds (distance) C4'-P energy: -80.976
bonds (distance) P-C4' energy: -88.158
flat angles C4'-P-C4' energy: -81.347
flat angles P-C4'-P energy: -48.322
tors. eta vs tors. theta energy: -37.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -446.281138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.281138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.281138 (E_RNA)
where:
Base-Base interactions energy: -147.577
where: short stacking energy: -137.808
Base-Backbone interact. energy: 3.347
local terms energy: -302.051230
where:
bonds (distance) C4'-P energy: -80.619
bonds (distance) P-C4' energy: -94.553
flat angles C4'-P-C4' energy: -72.356
flat angles P-C4'-P energy: -39.881
tors. eta vs tors. theta energy: -14.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -428.815756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.815756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.815756 (E_RNA)
where:
Base-Base interactions energy: -179.671
where: short stacking energy: -134.133
Base-Backbone interact. energy: -0.194
local terms energy: -248.951024
where:
bonds (distance) C4'-P energy: -74.992
bonds (distance) P-C4' energy: -77.145
flat angles C4'-P-C4' energy: -52.176
flat angles P-C4'-P energy: -38.506
tors. eta vs tors. theta energy: -6.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -401.687023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.687023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.687023 (E_RNA)
where:
Base-Base interactions energy: -145.457
where: short stacking energy: -122.890
Base-Backbone interact. energy: -0.348
local terms energy: -255.882202
where:
bonds (distance) C4'-P energy: -65.173
bonds (distance) P-C4' energy: -79.545
flat angles C4'-P-C4' energy: -73.194
flat angles P-C4'-P energy: -35.640
tors. eta vs tors. theta energy: -2.330
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: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -379.542282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.542282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.542282 (E_RNA)
where:
Base-Base interactions energy: -135.045
where: short stacking energy: -127.135
Base-Backbone interact. energy: -0.536
local terms energy: -243.960899
where:
bonds (distance) C4'-P energy: -76.586
bonds (distance) P-C4' energy: -75.211
flat angles C4'-P-C4' energy: -56.391
flat angles P-C4'-P energy: -42.158
tors. eta vs tors. theta energy: 6.385
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1181.760352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.760352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.760352 (E_RNA)
where:
Base-Base interactions energy: -700.786
where: short stacking energy: -387.899
Base-Backbone interact. energy: 0.929
local terms energy: -481.904010
where:
bonds (distance) C4'-P energy: -105.619
bonds (distance) P-C4' energy: -93.217
flat angles C4'-P-C4' energy: -107.639
flat angles P-C4'-P energy: -66.655
tors. eta vs tors. theta energy: -108.774
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: 3
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1089.578769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.578769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.578769 (E_RNA)
where:
Base-Base interactions energy: -642.444
where: short stacking energy: -395.886
Base-Backbone interact. energy: -0.758
local terms energy: -446.376401
where:
bonds (distance) C4'-P energy: -78.106
bonds (distance) P-C4' energy: -93.525
flat angles C4'-P-C4' energy: -107.778
flat angles P-C4'-P energy: -55.082
tors. eta vs tors. theta energy: -111.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -954.610032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.610032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.610032 (E_RNA)
where:
Base-Base interactions energy: -523.640
where: short stacking energy: -305.921
Base-Backbone interact. energy: -1.306
local terms energy: -429.664539
where:
bonds (distance) C4'-P energy: -87.712
bonds (distance) P-C4' energy: -101.610
flat angles C4'-P-C4' energy: -95.271
flat angles P-C4'-P energy: -68.374
tors. eta vs tors. theta energy: -76.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -708.637758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.637758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.637758 (E_RNA)
where:
Base-Base interactions energy: -358.035
where: short stacking energy: -262.430
Base-Backbone interact. energy: -1.174
local terms energy: -349.429191
where:
bonds (distance) C4'-P energy: -83.567
bonds (distance) P-C4' energy: -88.479
flat angles C4'-P-C4' energy: -76.264
flat angles P-C4'-P energy: -44.904
tors. eta vs tors. theta energy: -56.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -707.349704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.349704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.349704 (E_RNA)
where:
Base-Base interactions energy: -366.484
where: short stacking energy: -224.179
Base-Backbone interact. energy: 3.286
local terms energy: -344.151395
where:
bonds (distance) C4'-P energy: -77.442
bonds (distance) P-C4' energy: -96.444
flat angles C4'-P-C4' energy: -81.119
flat angles P-C4'-P energy: -48.155
tors. eta vs tors. theta energy: -40.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -664.876941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.876941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.876941 (E_RNA)
where:
Base-Base interactions energy: -331.999
where: short stacking energy: -212.972
Base-Backbone interact. energy: -0.656
local terms energy: -332.221750
where:
bonds (distance) C4'-P energy: -89.369
bonds (distance) P-C4' energy: -84.186
flat angles C4'-P-C4' energy: -69.440
flat angles P-C4'-P energy: -47.807
tors. eta vs tors. theta energy: -41.420
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: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -447.986560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.986560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.986560 (E_RNA)
where:
Base-Base interactions energy: -175.088
where: short stacking energy: -156.424
Base-Backbone interact. energy: 0.275
local terms energy: -273.173863
where:
bonds (distance) C4'-P energy: -69.301
bonds (distance) P-C4' energy: -81.379
flat angles C4'-P-C4' energy: -71.180
flat angles P-C4'-P energy: -43.753
tors. eta vs tors. theta energy: -7.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -398.181996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.181996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.181996 (E_RNA)
where:
Base-Base interactions energy: -137.723
where: short stacking energy: -119.041
Base-Backbone interact. energy: -0.491
local terms energy: -259.968680
where:
bonds (distance) C4'-P energy: -72.836
bonds (distance) P-C4' energy: -85.014
flat angles C4'-P-C4' energy: -71.061
flat angles P-C4'-P energy: -41.398
tors. eta vs tors. theta energy: 10.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -358.964990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.964990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.964990 (E_RNA)
where:
Base-Base interactions energy: -97.419
where: short stacking energy: -93.897
Base-Backbone interact. energy: -0.335
local terms energy: -261.211046
where:
bonds (distance) C4'-P energy: -93.097
bonds (distance) P-C4' energy: -76.337
flat angles C4'-P-C4' energy: -70.080
flat angles P-C4'-P energy: -45.547
tors. eta vs tors. theta energy: 23.850
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: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -344.951452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.951452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.951452 (E_RNA)
where:
Base-Base interactions energy: -113.307
where: short stacking energy: -101.229
Base-Backbone interact. energy: 1.457
local terms energy: -233.101881
where:
bonds (distance) C4'-P energy: -88.553
bonds (distance) P-C4' energy: -77.231
flat angles C4'-P-C4' energy: -52.169
flat angles P-C4'-P energy: -32.914
tors. eta vs tors. theta energy: 17.765
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1159.946615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.946615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.946615 (E_RNA)
where:
Base-Base interactions energy: -686.754
where: short stacking energy: -406.659
Base-Backbone interact. energy: -1.422
local terms energy: -471.770753
where:
bonds (distance) C4'-P energy: -90.295
bonds (distance) P-C4' energy: -93.965
flat angles C4'-P-C4' energy: -104.768
flat angles P-C4'-P energy: -63.010
tors. eta vs tors. theta energy: -119.733
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: 3
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1090.841414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.841414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.841414 (E_RNA)
where:
Base-Base interactions energy: -651.239
where: short stacking energy: -384.402
Base-Backbone interact. energy: -0.211
local terms energy: -439.391335
where:
bonds (distance) C4'-P energy: -76.772
bonds (distance) P-C4' energy: -97.993
flat angles C4'-P-C4' energy: -89.388
flat angles P-C4'-P energy: -61.721
tors. eta vs tors. theta energy: -113.519
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: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -972.961670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.961670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.961670 (E_RNA)
where:
Base-Base interactions energy: -542.131
where: short stacking energy: -315.036
Base-Backbone interact. energy: -0.126
local terms energy: -430.704737
where:
bonds (distance) C4'-P energy: -76.572
bonds (distance) P-C4' energy: -99.519
flat angles C4'-P-C4' energy: -89.560
flat angles P-C4'-P energy: -59.308
tors. eta vs tors. theta energy: -105.745
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: 121
Temperature: 1.050000
Total energy: -790.843292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.843292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.843292 (E_RNA)
where:
Base-Base interactions energy: -396.056
where: short stacking energy: -266.457
Base-Backbone interact. energy: 0.311
local terms energy: -395.098100
where:
bonds (distance) C4'-P energy: -88.766
bonds (distance) P-C4' energy: -84.691
flat angles C4'-P-C4' energy: -90.663
flat angles P-C4'-P energy: -63.116
tors. eta vs tors. theta energy: -67.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -634.500695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.500695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.500695 (E_RNA)
where:
Base-Base interactions energy: -301.212
where: short stacking energy: -183.320
Base-Backbone interact. energy: -1.486
local terms energy: -331.802445
where:
bonds (distance) C4'-P energy: -86.111
bonds (distance) P-C4' energy: -89.506
flat angles C4'-P-C4' energy: -78.252
flat angles P-C4'-P energy: -57.744
tors. eta vs tors. theta energy: -20.189
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: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -677.875684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.875684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.875684 (E_RNA)
where:
Base-Base interactions energy: -345.410
where: short stacking energy: -214.649
Base-Backbone interact. energy: 0.101
local terms energy: -332.566337
where:
bonds (distance) C4'-P energy: -68.810
bonds (distance) P-C4' energy: -89.515
flat angles C4'-P-C4' energy: -87.722
flat angles P-C4'-P energy: -46.532
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: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -457.883303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.883303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.883303 (E_RNA)
where:
Base-Base interactions energy: -157.951
where: short stacking energy: -137.812
Base-Backbone interact. energy: -1.410
local terms energy: -298.522114
where:
bonds (distance) C4'-P energy: -80.826
bonds (distance) P-C4' energy: -86.029
flat angles C4'-P-C4' energy: -73.694
flat angles P-C4'-P energy: -58.084
tors. eta vs tors. theta energy: 0.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -411.967579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.967579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.967579 (E_RNA)
where:
Base-Base interactions energy: -140.328
where: short stacking energy: -110.079
Base-Backbone interact. energy: -1.911
local terms energy: -269.729063
where:
bonds (distance) C4'-P energy: -82.838
bonds (distance) P-C4' energy: -75.997
flat angles C4'-P-C4' energy: -74.519
flat angles P-C4'-P energy: -45.181
tors. eta vs tors. theta energy: 8.805
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: 121
Temperature: 1.300000
Total energy: -387.738756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.738756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.738756 (E_RNA)
where:
Base-Base interactions energy: -124.261
where: short stacking energy: -116.284
Base-Backbone interact. energy: -0.203
local terms energy: -263.275585
where:
bonds (distance) C4'-P energy: -63.329
bonds (distance) P-C4' energy: -81.243
flat angles C4'-P-C4' energy: -67.239
flat angles P-C4'-P energy: -46.784
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -360.780075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.780075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.780075 (E_RNA)
where:
Base-Base interactions energy: -121.154
where: short stacking energy: -112.051
Base-Backbone interact. energy: -0.987
local terms energy: -238.638686
where:
bonds (distance) C4'-P energy: -63.882
bonds (distance) P-C4' energy: -79.975
flat angles C4'-P-C4' energy: -61.466
flat angles P-C4'-P energy: -35.262
tors. eta vs tors. theta energy: 1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1171.765080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.765080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.765080 (E_RNA)
where:
Base-Base interactions energy: -722.264
where: short stacking energy: -419.577
Base-Backbone interact. energy: -0.039
local terms energy: -449.461960
where:
bonds (distance) C4'-P energy: -94.711
bonds (distance) P-C4' energy: -81.823
flat angles C4'-P-C4' energy: -99.079
flat angles P-C4'-P energy: -67.868
tors. eta vs tors. theta energy: -105.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1102.551689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.551689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.551689 (E_RNA)
where:
Base-Base interactions energy: -631.841
where: short stacking energy: -398.193
Base-Backbone interact. energy: -2.928
local terms energy: -467.781962
where:
bonds (distance) C4'-P energy: -93.577
bonds (distance) P-C4' energy: -92.462
flat angles C4'-P-C4' energy: -99.569
flat angles P-C4'-P energy: -67.666
tors. eta vs tors. theta energy: -114.509
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: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -949.856304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.856304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.856304 (E_RNA)
where:
Base-Base interactions energy: -524.714
where: short stacking energy: -337.472
Base-Backbone interact. energy: 1.079
local terms energy: -426.221731
where:
bonds (distance) C4'-P energy: -93.216
bonds (distance) P-C4' energy: -86.695
flat angles C4'-P-C4' energy: -96.422
flat angles P-C4'-P energy: -58.675
tors. eta vs tors. theta energy: -91.214
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: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -749.016905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.016905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.016905 (E_RNA)
where:
Base-Base interactions energy: -385.074
where: short stacking energy: -243.407
Base-Backbone interact. energy: 2.611
local terms energy: -366.554579
where:
bonds (distance) C4'-P energy: -87.999
bonds (distance) P-C4' energy: -87.023
flat angles C4'-P-C4' energy: -88.038
flat angles P-C4'-P energy: -51.790
tors. eta vs tors. theta energy: -51.705
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: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -747.435697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.435697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.435697 (E_RNA)
where:
Base-Base interactions energy: -389.552
where: short stacking energy: -222.652
Base-Backbone interact. energy: -0.376
local terms energy: -357.506858
where:
bonds (distance) C4'-P energy: -82.316
bonds (distance) P-C4' energy: -89.454
flat angles C4'-P-C4' energy: -85.531
flat angles P-C4'-P energy: -58.198
tors. eta vs tors. theta energy: -42.008
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: 6, replica: 1
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -615.726692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.726692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.726692 (E_RNA)
where:
Base-Base interactions energy: -274.723
where: short stacking energy: -189.975
Base-Backbone interact. energy: 3.590
local terms energy: -344.594168
where:
bonds (distance) C4'-P energy: -90.963
bonds (distance) P-C4' energy: -83.698
flat angles C4'-P-C4' energy: -95.230
flat angles P-C4'-P energy: -51.966
tors. eta vs tors. theta energy: -22.737
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: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -423.039711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.039711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.039711 (E_RNA)
where:
Base-Base interactions energy: -139.660
where: short stacking energy: -136.028
Base-Backbone interact. energy: -2.008
local terms energy: -281.372548
where:
bonds (distance) C4'-P energy: -79.324
bonds (distance) P-C4' energy: -76.733
flat angles C4'-P-C4' energy: -68.642
flat angles P-C4'-P energy: -47.727
tors. eta vs tors. theta energy: -8.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -402.555837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.555837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.555837 (E_RNA)
where:
Base-Base interactions energy: -132.141
where: short stacking energy: -131.553
Base-Backbone interact. energy: -1.213
local terms energy: -269.202001
where:
bonds (distance) C4'-P energy: -69.846
bonds (distance) P-C4' energy: -82.039
flat angles C4'-P-C4' energy: -83.766
flat angles P-C4'-P energy: -36.416
tors. eta vs tors. theta energy: 2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -389.067718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.067718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.067718 (E_RNA)
where:
Base-Base interactions energy: -116.786
where: short stacking energy: -105.127
Base-Backbone interact. energy: -1.543
local terms energy: -270.739238
where:
bonds (distance) C4'-P energy: -74.410
bonds (distance) P-C4' energy: -77.953
flat angles C4'-P-C4' energy: -80.438
flat angles P-C4'-P energy: -41.631
tors. eta vs tors. theta energy: 3.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -329.451038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.451038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.451038 (E_RNA)
where:
Base-Base interactions energy: -93.872
where: short stacking energy: -81.940
Base-Backbone interact. energy: 5.760
local terms energy: -241.338966
where:
bonds (distance) C4'-P energy: -78.814
bonds (distance) P-C4' energy: -73.495
flat angles C4'-P-C4' energy: -55.466
flat angles P-C4'-P energy: -50.283
tors. eta vs tors. theta energy: 16.718
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1207.709503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.709503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.709503 (E_RNA)
where:
Base-Base interactions energy: -743.039
where: short stacking energy: -412.789
Base-Backbone interact. energy: -0.059
local terms energy: -464.611779
where:
bonds (distance) C4'-P energy: -92.285
bonds (distance) P-C4' energy: -93.553
flat angles C4'-P-C4' energy: -100.338
flat angles P-C4'-P energy: -70.031
tors. eta vs tors. theta energy: -108.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1105.045849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.045849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.045849 (E_RNA)
where:
Base-Base interactions energy: -644.690
where: short stacking energy: -399.983
Base-Backbone interact. energy: -2.520
local terms energy: -457.835756
where:
bonds (distance) C4'-P energy: -86.494
bonds (distance) P-C4' energy: -90.405
flat angles C4'-P-C4' energy: -101.979
flat angles P-C4'-P energy: -65.892
tors. eta vs tors. theta energy: -113.066
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: 8
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -969.276753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.276753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.276753 (E_RNA)
where:
Base-Base interactions energy: -560.837
where: short stacking energy: -364.667
Base-Backbone interact. energy: 0.815
local terms energy: -409.255102
where:
bonds (distance) C4'-P energy: -82.286
bonds (distance) P-C4' energy: -80.898
flat angles C4'-P-C4' energy: -85.339
flat angles P-C4'-P energy: -57.477
tors. eta vs tors. theta energy: -103.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -731.669891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.669891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.669891 (E_RNA)
where:
Base-Base interactions energy: -359.331
where: short stacking energy: -254.609
Base-Backbone interact. energy: -0.217
local terms energy: -372.122538
where:
bonds (distance) C4'-P energy: -92.190
bonds (distance) P-C4' energy: -84.227
flat angles C4'-P-C4' energy: -85.850
flat angles P-C4'-P energy: -42.358
tors. eta vs tors. theta energy: -67.498
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: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -732.008130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.008130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.008130 (E_RNA)
where:
Base-Base interactions energy: -366.148
where: short stacking energy: -229.405
Base-Backbone interact. energy: 1.596
local terms energy: -367.456989
where:
bonds (distance) C4'-P energy: -78.601
bonds (distance) P-C4' energy: -94.137
flat angles C4'-P-C4' energy: -76.448
flat angles P-C4'-P energy: -62.848
tors. eta vs tors. theta energy: -55.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -619.041226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.041226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.041226 (E_RNA)
where:
Base-Base interactions energy: -302.381
where: short stacking energy: -193.966
Base-Backbone interact. energy: -0.834
local terms energy: -315.826174
where:
bonds (distance) C4'-P energy: -68.827
bonds (distance) P-C4' energy: -86.703
flat angles C4'-P-C4' energy: -74.401
flat angles P-C4'-P energy: -54.668
tors. eta vs tors. theta energy: -31.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -478.803062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.803062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.803062 (E_RNA)
where:
Base-Base interactions energy: -200.347
where: short stacking energy: -162.642
Base-Backbone interact. energy: -2.228
local terms energy: -276.228476
where:
bonds (distance) C4'-P energy: -73.788
bonds (distance) P-C4' energy: -81.300
flat angles C4'-P-C4' energy: -73.575
flat angles P-C4'-P energy: -37.341
tors. eta vs tors. theta energy: -10.225
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: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -416.625470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.625470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.625470 (E_RNA)
where:
Base-Base interactions energy: -163.532
where: short stacking energy: -148.633
Base-Backbone interact. energy: 0.501
local terms energy: -253.594286
where:
bonds (distance) C4'-P energy: -78.652
bonds (distance) P-C4' energy: -79.787
flat angles C4'-P-C4' energy: -74.925
flat angles P-C4'-P energy: -26.075
tors. eta vs tors. theta energy: 5.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -391.334803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.334803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.334803 (E_RNA)
where:
Base-Base interactions energy: -147.625
where: short stacking energy: -122.158
Base-Backbone interact. energy: 0.355
local terms energy: -244.064599
where:
bonds (distance) C4'-P energy: -77.757
bonds (distance) P-C4' energy: -77.788
flat angles C4'-P-C4' energy: -63.386
flat angles P-C4'-P energy: -28.380
tors. eta vs tors. theta energy: 3.246
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: 123
Temperature: 1.350000
Total energy: -331.956167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.956167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.956167 (E_RNA)
where:
Base-Base interactions energy: -115.689
where: short stacking energy: -89.569
Base-Backbone interact. energy: -1.889
local terms energy: -214.378629
where:
bonds (distance) C4'-P energy: -66.878
bonds (distance) P-C4' energy: -64.280
flat angles C4'-P-C4' energy: -58.178
flat angles P-C4'-P energy: -42.554
tors. eta vs tors. theta energy: 17.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1152.007355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.007355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.007355 (E_RNA)
where:
Base-Base interactions energy: -675.068
where: short stacking energy: -397.120
Base-Backbone interact. energy: -3.778
local terms energy: -473.161501
where:
bonds (distance) C4'-P energy: -93.457
bonds (distance) P-C4' energy: -99.191
flat angles C4'-P-C4' energy: -103.443
flat angles P-C4'-P energy: -64.310
tors. eta vs tors. theta energy: -112.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1141.160399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.160399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.160399 (E_RNA)
where:
Base-Base interactions energy: -698.259
where: short stacking energy: -380.753
Base-Backbone interact. energy: -0.782
local terms energy: -442.119406
where:
bonds (distance) C4'-P energy: -86.328
bonds (distance) P-C4' energy: -97.649
flat angles C4'-P-C4' energy: -90.049
flat angles P-C4'-P energy: -74.092
tors. eta vs tors. theta energy: -94.001
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: 8
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -961.238273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.238273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.238273 (E_RNA)
where:
Base-Base interactions energy: -540.431
where: short stacking energy: -340.665
Base-Backbone interact. energy: -0.855
local terms energy: -419.952422
where:
bonds (distance) C4'-P energy: -74.930
bonds (distance) P-C4' energy: -91.299
flat angles C4'-P-C4' energy: -94.321
flat angles P-C4'-P energy: -62.701
tors. eta vs tors. theta energy: -96.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -782.173621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.173621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.173621 (E_RNA)
where:
Base-Base interactions energy: -403.219
where: short stacking energy: -289.417
Base-Backbone interact. energy: -0.360
local terms energy: -378.594574
where:
bonds (distance) C4'-P energy: -95.017
bonds (distance) P-C4' energy: -81.097
flat angles C4'-P-C4' energy: -83.415
flat angles P-C4'-P energy: -52.911
tors. eta vs tors. theta energy: -66.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -660.357497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.357497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.357497 (E_RNA)
where:
Base-Base interactions energy: -313.673
where: short stacking energy: -197.843
Base-Backbone interact. energy: -0.010
local terms energy: -346.675034
where:
bonds (distance) C4'-P energy: -87.671
bonds (distance) P-C4' energy: -81.095
flat angles C4'-P-C4' energy: -78.717
flat angles P-C4'-P energy: -58.030
tors. eta vs tors. theta energy: -41.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -716.668028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.668028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.668028 (E_RNA)
where:
Base-Base interactions energy: -378.024
where: short stacking energy: -250.667
Base-Backbone interact. energy: -1.718
local terms energy: -336.925313
where:
bonds (distance) C4'-P energy: -63.954
bonds (distance) P-C4' energy: -79.219
flat angles C4'-P-C4' energy: -89.918
flat angles P-C4'-P energy: -41.751
tors. eta vs tors. theta energy: -62.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -446.278271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.278271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.278271 (E_RNA)
where:
Base-Base interactions energy: -173.775
where: short stacking energy: -165.714
Base-Backbone interact. energy: 2.101
local terms energy: -274.604426
where:
bonds (distance) C4'-P energy: -73.608
bonds (distance) P-C4' energy: -73.261
flat angles C4'-P-C4' energy: -75.804
flat angles P-C4'-P energy: -41.076
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: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -415.976635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.976635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.976635 (E_RNA)
where:
Base-Base interactions energy: -131.682
where: short stacking energy: -119.472
Base-Backbone interact. energy: -2.534
local terms energy: -281.760758
where:
bonds (distance) C4'-P energy: -81.845
bonds (distance) P-C4' energy: -90.210
flat angles C4'-P-C4' energy: -57.063
flat angles P-C4'-P energy: -47.214
tors. eta vs tors. theta energy: -5.429
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: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -390.420703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.420703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.420703 (E_RNA)
where:
Base-Base interactions energy: -154.859
where: short stacking energy: -140.015
Base-Backbone interact. energy: 2.275
local terms energy: -237.836176
where:
bonds (distance) C4'-P energy: -71.329
bonds (distance) P-C4' energy: -72.577
flat angles C4'-P-C4' energy: -44.040
flat angles P-C4'-P energy: -45.252
tors. eta vs tors. theta energy: -4.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -364.779135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.779135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.779135 (E_RNA)
where:
Base-Base interactions energy: -127.937
where: short stacking energy: -112.929
Base-Backbone interact. energy: 3.389
local terms energy: -240.230441
where:
bonds (distance) C4'-P energy: -68.135
bonds (distance) P-C4' energy: -74.581
flat angles C4'-P-C4' energy: -79.718
flat angles P-C4'-P energy: -37.193
tors. eta vs tors. theta energy: 19.396
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1106.700058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.700058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.700058 (E_RNA)
where:
Base-Base interactions energy: -647.474
where: short stacking energy: -400.127
Base-Backbone interact. energy: 0.483
local terms energy: -459.709378
where:
bonds (distance) C4'-P energy: -84.738
bonds (distance) P-C4' energy: -97.523
flat angles C4'-P-C4' energy: -100.967
flat angles P-C4'-P energy: -62.694
tors. eta vs tors. theta energy: -113.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1114.429183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.429183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.429183 (E_RNA)
where:
Base-Base interactions energy: -671.222
where: short stacking energy: -382.080
Base-Backbone interact. energy: -2.292
local terms energy: -440.915404
where:
bonds (distance) C4'-P energy: -86.514
bonds (distance) P-C4' energy: -95.254
flat angles C4'-P-C4' energy: -91.060
flat angles P-C4'-P energy: -62.773
tors. eta vs tors. theta energy: -105.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -945.684790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.684790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.684790 (E_RNA)
where:
Base-Base interactions energy: -531.983
where: short stacking energy: -319.366
Base-Backbone interact. energy: -0.407
local terms energy: -413.295202
where:
bonds (distance) C4'-P energy: -92.978
bonds (distance) P-C4' energy: -85.072
flat angles C4'-P-C4' energy: -94.430
flat angles P-C4'-P energy: -58.034
tors. eta vs tors. theta energy: -82.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -741.391438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.391438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.391438 (E_RNA)
where:
Base-Base interactions energy: -360.646
where: short stacking energy: -240.183
Base-Backbone interact. energy: -0.207
local terms energy: -380.538664
where:
bonds (distance) C4'-P energy: -84.542
bonds (distance) P-C4' energy: -96.573
flat angles C4'-P-C4' energy: -87.267
flat angles P-C4'-P energy: -60.789
tors. eta vs tors. theta energy: -51.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -657.847388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.847388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.847388 (E_RNA)
where:
Base-Base interactions energy: -320.776
where: short stacking energy: -216.855
Base-Backbone interact. energy: 1.648
local terms energy: -338.719438
where:
bonds (distance) C4'-P energy: -94.082
bonds (distance) P-C4' energy: -90.512
flat angles C4'-P-C4' energy: -80.608
flat angles P-C4'-P energy: -50.248
tors. eta vs tors. theta energy: -23.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -623.431184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.431184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.431184 (E_RNA)
where:
Base-Base interactions energy: -326.982
where: short stacking energy: -223.640
Base-Backbone interact. energy: -0.495
local terms energy: -295.953392
where:
bonds (distance) C4'-P energy: -69.260
bonds (distance) P-C4' energy: -79.166
flat angles C4'-P-C4' energy: -83.253
flat angles P-C4'-P energy: -29.863
tors. eta vs tors. theta energy: -34.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -465.600840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.600840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.600840 (E_RNA)
where:
Base-Base interactions energy: -189.686
where: short stacking energy: -154.706
Base-Backbone interact. energy: 4.238
local terms energy: -280.152935
where:
bonds (distance) C4'-P energy: -84.792
bonds (distance) P-C4' energy: -84.587
flat angles C4'-P-C4' energy: -61.906
flat angles P-C4'-P energy: -39.864
tors. eta vs tors. theta energy: -9.004
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: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -423.125505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.125505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.125505 (E_RNA)
where:
Base-Base interactions energy: -137.203
where: short stacking energy: -137.140
Base-Backbone interact. energy: 1.123
local terms energy: -287.045126
where:
bonds (distance) C4'-P energy: -90.563
bonds (distance) P-C4' energy: -74.567
flat angles C4'-P-C4' energy: -66.862
flat angles P-C4'-P energy: -49.112
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: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -383.227106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.227106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.227106 (E_RNA)
where:
Base-Base interactions energy: -106.645
where: short stacking energy: -89.268
Base-Backbone interact. energy: 1.525
local terms energy: -278.107135
where:
bonds (distance) C4'-P energy: -88.729
bonds (distance) P-C4' energy: -85.833
flat angles C4'-P-C4' energy: -68.943
flat angles P-C4'-P energy: -36.759
tors. eta vs tors. theta energy: 2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -339.307962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.307962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.307962 (E_RNA)
where:
Base-Base interactions energy: -134.045
where: short stacking energy: -115.313
Base-Backbone interact. energy: -0.694
local terms energy: -204.569222
where:
bonds (distance) C4'-P energy: -62.102
bonds (distance) P-C4' energy: -75.378
flat angles C4'-P-C4' energy: -54.131
flat angles P-C4'-P energy: -33.878
tors. eta vs tors. theta energy: 20.920
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1109.218289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.218289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.218289 (E_RNA)
where:
Base-Base interactions energy: -649.167
where: short stacking energy: -399.147
Base-Backbone interact. energy: 0.777
local terms energy: -460.828846
where:
bonds (distance) C4'-P energy: -96.571
bonds (distance) P-C4' energy: -91.649
flat angles C4'-P-C4' energy: -89.719
flat angles P-C4'-P energy: -68.163
tors. eta vs tors. theta energy: -114.726
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: 2, replica: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1124.421481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.421481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.421481 (E_RNA)
where:
Base-Base interactions energy: -644.749
where: short stacking energy: -371.943
Base-Backbone interact. energy: -0.087
local terms energy: -479.584987
where:
bonds (distance) C4'-P energy: -90.527
bonds (distance) P-C4' energy: -100.574
flat angles C4'-P-C4' energy: -109.203
flat angles P-C4'-P energy: -72.496
tors. eta vs tors. theta energy: -106.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -964.779264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.779264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.779264 (E_RNA)
where:
Base-Base interactions energy: -541.791
where: short stacking energy: -318.087
Base-Backbone interact. energy: 3.444
local terms energy: -426.432232
where:
bonds (distance) C4'-P energy: -81.277
bonds (distance) P-C4' energy: -94.438
flat angles C4'-P-C4' energy: -101.151
flat angles P-C4'-P energy: -59.765
tors. eta vs tors. theta energy: -89.802
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: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -779.644070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.644070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.644070 (E_RNA)
where:
Base-Base interactions energy: -401.040
where: short stacking energy: -254.638
Base-Backbone interact. energy: -2.037
local terms energy: -376.567298
where:
bonds (distance) C4'-P energy: -80.928
bonds (distance) P-C4' energy: -98.183
flat angles C4'-P-C4' energy: -79.469
flat angles P-C4'-P energy: -53.846
tors. eta vs tors. theta energy: -64.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -717.540192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.540192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.540192 (E_RNA)
where:
Base-Base interactions energy: -347.466
where: short stacking energy: -247.525
Base-Backbone interact. energy: -1.012
local terms energy: -369.062070
where:
bonds (distance) C4'-P energy: -90.593
bonds (distance) P-C4' energy: -84.840
flat angles C4'-P-C4' energy: -80.471
flat angles P-C4'-P energy: -48.362
tors. eta vs tors. theta energy: -64.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -647.997831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.997831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.997831 (E_RNA)
where:
Base-Base interactions energy: -317.182
where: short stacking energy: -218.215
Base-Backbone interact. energy: -1.040
local terms energy: -329.775600
where:
bonds (distance) C4'-P energy: -80.090
bonds (distance) P-C4' energy: -68.951
flat angles C4'-P-C4' energy: -74.062
flat angles P-C4'-P energy: -61.125
tors. eta vs tors. theta energy: -45.548
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: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -483.734971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.734971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.734971 (E_RNA)
where:
Base-Base interactions energy: -195.282
where: short stacking energy: -175.345
Base-Backbone interact. energy: 3.947
local terms energy: -292.399776
where:
bonds (distance) C4'-P energy: -75.421
bonds (distance) P-C4' energy: -68.922
flat angles C4'-P-C4' energy: -71.093
flat angles P-C4'-P energy: -55.296
tors. eta vs tors. theta energy: -21.667
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: 126
Temperature: 1.250000
Total energy: -405.801861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.801861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.801861 (E_RNA)
where:
Base-Base interactions energy: -121.554
where: short stacking energy: -97.975
Base-Backbone interact. energy: -0.889
local terms energy: -283.358999
where:
bonds (distance) C4'-P energy: -74.636
bonds (distance) P-C4' energy: -94.352
flat angles C4'-P-C4' energy: -73.688
flat angles P-C4'-P energy: -34.422
tors. eta vs tors. theta energy: -6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -374.772398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.772398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.772398 (E_RNA)
where:
Base-Base interactions energy: -138.566
where: short stacking energy: -106.415
Base-Backbone interact. energy: 5.676
local terms energy: -241.881763
where:
bonds (distance) C4'-P energy: -77.734
bonds (distance) P-C4' energy: -72.304
flat angles C4'-P-C4' energy: -59.387
flat angles P-C4'-P energy: -51.171
tors. eta vs tors. theta energy: 18.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -352.451848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.451848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.451848 (E_RNA)
where:
Base-Base interactions energy: -115.179
where: short stacking energy: -91.858
Base-Backbone interact. energy: -0.966
local terms energy: -236.306969
where:
bonds (distance) C4'-P energy: -65.743
bonds (distance) P-C4' energy: -73.698
flat angles C4'-P-C4' energy: -64.252
flat angles P-C4'-P energy: -46.947
tors. eta vs tors. theta energy: 14.333
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1149.286913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.286913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.286913 (E_RNA)
where:
Base-Base interactions energy: -672.240
where: short stacking energy: -403.101
Base-Backbone interact. energy: -0.889
local terms energy: -476.158234
where:
bonds (distance) C4'-P energy: -106.264
bonds (distance) P-C4' energy: -97.436
flat angles C4'-P-C4' energy: -96.930
flat angles P-C4'-P energy: -57.224
tors. eta vs tors. theta energy: -118.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1132.936807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.936807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.936807 (E_RNA)
where:
Base-Base interactions energy: -692.480
where: short stacking energy: -370.285
Base-Backbone interact. energy: -1.509
local terms energy: -438.948333
where:
bonds (distance) C4'-P energy: -84.325
bonds (distance) P-C4' energy: -90.482
flat angles C4'-P-C4' energy: -98.711
flat angles P-C4'-P energy: -63.243
tors. eta vs tors. theta energy: -102.187
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: 8
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -932.308932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.308932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.308932 (E_RNA)
where:
Base-Base interactions energy: -527.556
where: short stacking energy: -330.945
Base-Backbone interact. energy: 1.624
local terms energy: -406.377016
where:
bonds (distance) C4'-P energy: -84.363
bonds (distance) P-C4' energy: -96.439
flat angles C4'-P-C4' energy: -84.783
flat angles P-C4'-P energy: -63.817
tors. eta vs tors. theta energy: -76.975
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: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -751.408788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.408788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.408788 (E_RNA)
where:
Base-Base interactions energy: -368.537
where: short stacking energy: -243.596
Base-Backbone interact. energy: -0.755
local terms energy: -382.115908
where:
bonds (distance) C4'-P energy: -81.028
bonds (distance) P-C4' energy: -100.305
flat angles C4'-P-C4' energy: -85.418
flat angles P-C4'-P energy: -63.301
tors. eta vs tors. theta energy: -52.064
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: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -713.048712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.048712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.048712 (E_RNA)
where:
Base-Base interactions energy: -375.765
where: short stacking energy: -237.367
Base-Backbone interact. energy: -0.596
local terms energy: -336.688329
where:
bonds (distance) C4'-P energy: -79.884
bonds (distance) P-C4' energy: -80.666
flat angles C4'-P-C4' energy: -80.986
flat angles P-C4'-P energy: -48.986
tors. eta vs tors. theta energy: -46.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -644.911796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.911796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.911796 (E_RNA)
where:
Base-Base interactions energy: -309.049
where: short stacking energy: -194.995
Base-Backbone interact. energy: 0.110
local terms energy: -335.973342
where:
bonds (distance) C4'-P energy: -84.852
bonds (distance) P-C4' energy: -85.815
flat angles C4'-P-C4' energy: -78.530
flat angles P-C4'-P energy: -54.941
tors. eta vs tors. theta energy: -31.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -445.167777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.167777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.167777 (E_RNA)
where:
Base-Base interactions energy: -164.744
where: short stacking energy: -163.263
Base-Backbone interact. energy: 1.162
local terms energy: -281.585765
where:
bonds (distance) C4'-P energy: -77.059
bonds (distance) P-C4' energy: -84.956
flat angles C4'-P-C4' energy: -64.366
flat angles P-C4'-P energy: -43.418
tors. eta vs tors. theta energy: -11.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -426.572070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.572070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.572070 (E_RNA)
where:
Base-Base interactions energy: -152.047
where: short stacking energy: -135.196
Base-Backbone interact. energy: 0.473
local terms energy: -274.997325
where:
bonds (distance) C4'-P energy: -89.261
bonds (distance) P-C4' energy: -84.825
flat angles C4'-P-C4' energy: -62.115
flat angles P-C4'-P energy: -32.952
tors. eta vs tors. theta energy: -5.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -370.288752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.288752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.288752 (E_RNA)
where:
Base-Base interactions energy: -119.575
where: short stacking energy: -107.154
Base-Backbone interact. energy: 2.547
local terms energy: -253.261401
where:
bonds (distance) C4'-P energy: -55.879
bonds (distance) P-C4' energy: -83.261
flat angles C4'-P-C4' energy: -75.227
flat angles P-C4'-P energy: -50.899
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: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -347.146712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.146712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.146712 (E_RNA)
where:
Base-Base interactions energy: -102.479
where: short stacking energy: -94.017
Base-Backbone interact. energy: 1.275
local terms energy: -245.942876
where:
bonds (distance) C4'-P energy: -75.616
bonds (distance) P-C4' energy: -80.824
flat angles C4'-P-C4' energy: -64.842
flat angles P-C4'-P energy: -31.665
tors. eta vs tors. theta energy: 7.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1193.578308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.578308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.578308 (E_RNA)
where:
Base-Base interactions energy: -712.370
where: short stacking energy: -383.775
Base-Backbone interact. energy: -1.388
local terms energy: -479.821037
where:
bonds (distance) C4'-P energy: -104.674
bonds (distance) P-C4' energy: -87.933
flat angles C4'-P-C4' energy: -102.900
flat angles P-C4'-P energy: -75.120
tors. eta vs tors. theta energy: -109.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1087.958179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.958179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.958179 (E_RNA)
where:
Base-Base interactions energy: -647.979
where: short stacking energy: -392.333
Base-Backbone interact. energy: -0.575
local terms energy: -439.403569
where:
bonds (distance) C4'-P energy: -99.815
bonds (distance) P-C4' energy: -74.542
flat angles C4'-P-C4' energy: -98.561
flat angles P-C4'-P energy: -49.112
tors. eta vs tors. theta energy: -117.373
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: 8
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1011.933157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.933157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.933157 (E_RNA)
where:
Base-Base interactions energy: -568.520
where: short stacking energy: -345.456
Base-Backbone interact. energy: -2.173
local terms energy: -441.240160
where:
bonds (distance) C4'-P energy: -94.016
bonds (distance) P-C4' energy: -83.675
flat angles C4'-P-C4' energy: -94.545
flat angles P-C4'-P energy: -70.097
tors. eta vs tors. theta energy: -98.908
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: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -738.128925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.128925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.128925 (E_RNA)
where:
Base-Base interactions energy: -349.941
where: short stacking energy: -241.617
Base-Backbone interact. energy: -1.302
local terms energy: -386.886054
where:
bonds (distance) C4'-P energy: -85.054
bonds (distance) P-C4' energy: -98.938
flat angles C4'-P-C4' energy: -88.547
flat angles P-C4'-P energy: -46.884
tors. eta vs tors. theta energy: -67.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -677.925028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.925028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.925028 (E_RNA)
where:
Base-Base interactions energy: -340.008
where: short stacking energy: -216.688
Base-Backbone interact. energy: -0.407
local terms energy: -337.510118
where:
bonds (distance) C4'-P energy: -95.403
bonds (distance) P-C4' energy: -84.614
flat angles C4'-P-C4' energy: -76.056
flat angles P-C4'-P energy: -55.528
tors. eta vs tors. theta energy: -25.910
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: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -611.447469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.447469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.447469 (E_RNA)
where:
Base-Base interactions energy: -300.510
where: short stacking energy: -200.730
Base-Backbone interact. energy: -0.484
local terms energy: -310.453449
where:
bonds (distance) C4'-P energy: -84.785
bonds (distance) P-C4' energy: -83.262
flat angles C4'-P-C4' energy: -75.037
flat angles P-C4'-P energy: -40.157
tors. eta vs tors. theta energy: -27.212
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: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -459.221681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.221681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.221681 (E_RNA)
where:
Base-Base interactions energy: -176.122
where: short stacking energy: -158.583
Base-Backbone interact. energy: 2.177
local terms energy: -285.276664
where:
bonds (distance) C4'-P energy: -76.064
bonds (distance) P-C4' energy: -71.510
flat angles C4'-P-C4' energy: -88.930
flat angles P-C4'-P energy: -43.982
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -419.214300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.214300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.214300 (E_RNA)
where:
Base-Base interactions energy: -143.086
where: short stacking energy: -114.644
Base-Backbone interact. energy: -0.411
local terms energy: -275.717705
where:
bonds (distance) C4'-P energy: -76.488
bonds (distance) P-C4' energy: -63.518
flat angles C4'-P-C4' energy: -76.791
flat angles P-C4'-P energy: -53.516
tors. eta vs tors. theta energy: -5.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -358.770218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.770218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.770218 (E_RNA)
where:
Base-Base interactions energy: -118.586
where: short stacking energy: -93.711
Base-Backbone interact. energy: 0.742
local terms energy: -240.926148
where:
bonds (distance) C4'-P energy: -75.809
bonds (distance) P-C4' energy: -77.029
flat angles C4'-P-C4' energy: -65.867
flat angles P-C4'-P energy: -34.119
tors. eta vs tors. theta energy: 11.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -385.607320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.607320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.607320 (E_RNA)
where:
Base-Base interactions energy: -142.425
where: short stacking energy: -114.666
Base-Backbone interact. energy: -2.099
local terms energy: -241.082959
where:
bonds (distance) C4'-P energy: -68.877
bonds (distance) P-C4' energy: -74.068
flat angles C4'-P-C4' energy: -62.462
flat angles P-C4'-P energy: -40.382
tors. eta vs tors. theta energy: 4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1158.742533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.742533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.742533 (E_RNA)
where:
Base-Base interactions energy: -682.283
where: short stacking energy: -395.519
Base-Backbone interact. energy: -1.415
local terms energy: -475.044637
where:
bonds (distance) C4'-P energy: -91.527
bonds (distance) P-C4' energy: -88.067
flat angles C4'-P-C4' energy: -112.586
flat angles P-C4'-P energy: -75.966
tors. eta vs tors. theta energy: -106.900
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: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1103.332896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.332896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.332896 (E_RNA)
where:
Base-Base interactions energy: -657.677
where: short stacking energy: -413.858
Base-Backbone interact. energy: -1.162
local terms energy: -444.494141
where:
bonds (distance) C4'-P energy: -93.095
bonds (distance) P-C4' energy: -81.110
flat angles C4'-P-C4' energy: -100.959
flat angles P-C4'-P energy: -54.912
tors. eta vs tors. theta energy: -114.418
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: 8
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1014.494181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.494181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.494181 (E_RNA)
where:
Base-Base interactions energy: -589.510
where: short stacking energy: -346.579
Base-Backbone interact. energy: 2.819
local terms energy: -427.803426
where:
bonds (distance) C4'-P energy: -76.639
bonds (distance) P-C4' energy: -96.371
flat angles C4'-P-C4' energy: -96.674
flat angles P-C4'-P energy: -60.331
tors. eta vs tors. theta energy: -97.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -769.112095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.112095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.112095 (E_RNA)
where:
Base-Base interactions energy: -389.045
where: short stacking energy: -253.865
Base-Backbone interact. energy: -0.258
local terms energy: -379.808520
where:
bonds (distance) C4'-P energy: -87.577
bonds (distance) P-C4' energy: -90.358
flat angles C4'-P-C4' energy: -89.410
flat angles P-C4'-P energy: -56.550
tors. eta vs tors. theta energy: -55.914
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: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -745.923077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.923077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.923077 (E_RNA)
where:
Base-Base interactions energy: -359.319
where: short stacking energy: -246.627
Base-Backbone interact. energy: 0.718
local terms energy: -387.321860
where:
bonds (distance) C4'-P energy: -91.942
bonds (distance) P-C4' energy: -88.439
flat angles C4'-P-C4' energy: -91.305
flat angles P-C4'-P energy: -63.559
tors. eta vs tors. theta energy: -52.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -566.021692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.021692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.021692 (E_RNA)
where:
Base-Base interactions energy: -269.741
where: short stacking energy: -156.471
Base-Backbone interact. energy: -1.655
local terms energy: -294.625407
where:
bonds (distance) C4'-P energy: -83.229
bonds (distance) P-C4' energy: -88.081
flat angles C4'-P-C4' energy: -70.459
flat angles P-C4'-P energy: -52.500
tors. eta vs tors. theta energy: -0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -438.895954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.895954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.895954 (E_RNA)
where:
Base-Base interactions energy: -160.131
where: short stacking energy: -156.326
Base-Backbone interact. energy: -2.077
local terms energy: -276.687687
where:
bonds (distance) C4'-P energy: -75.662
bonds (distance) P-C4' energy: -83.165
flat angles C4'-P-C4' energy: -68.151
flat angles P-C4'-P energy: -34.726
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: 8, replica: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -401.562594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.562594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.562594 (E_RNA)
where:
Base-Base interactions energy: -134.750
where: short stacking energy: -122.439
Base-Backbone interact. energy: 0.058
local terms energy: -266.871030
where:
bonds (distance) C4'-P energy: -75.267
bonds (distance) P-C4' energy: -83.979
flat angles C4'-P-C4' energy: -56.301
flat angles P-C4'-P energy: -44.779
tors. eta vs tors. theta energy: -6.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -391.719159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.719159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.719159 (E_RNA)
where:
Base-Base interactions energy: -128.724
where: short stacking energy: -113.205
Base-Backbone interact. energy: -2.708
local terms energy: -260.287074
where:
bonds (distance) C4'-P energy: -81.504
bonds (distance) P-C4' energy: -63.575
flat angles C4'-P-C4' energy: -80.743
flat angles P-C4'-P energy: -47.948
tors. eta vs tors. theta energy: 13.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -362.978011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.978011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.978011 (E_RNA)
where:
Base-Base interactions energy: -123.539
where: short stacking energy: -95.840
Base-Backbone interact. energy: 5.345
local terms energy: -244.783345
where:
bonds (distance) C4'-P energy: -78.547
bonds (distance) P-C4' energy: -85.476
flat angles C4'-P-C4' energy: -75.505
flat angles P-C4'-P energy: -34.779
tors. eta vs tors. theta energy: 29.523
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1153.277669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.277669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.277669 (E_RNA)
where:
Base-Base interactions energy: -690.155
where: short stacking energy: -377.841
Base-Backbone interact. energy: 0.163
local terms energy: -463.284894
where:
bonds (distance) C4'-P energy: -84.612
bonds (distance) P-C4' energy: -89.495
flat angles C4'-P-C4' energy: -108.680
flat angles P-C4'-P energy: -67.407
tors. eta vs tors. theta energy: -113.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1058.123446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.123446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.123446 (E_RNA)
where:
Base-Base interactions energy: -634.768
where: short stacking energy: -364.057
Base-Backbone interact. energy: -1.233
local terms energy: -422.122897
where:
bonds (distance) C4'-P energy: -88.181
bonds (distance) P-C4' energy: -89.919
flat angles C4'-P-C4' energy: -93.367
flat angles P-C4'-P energy: -53.427
tors. eta vs tors. theta energy: -97.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1027.485143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.485143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.485143 (E_RNA)
where:
Base-Base interactions energy: -579.490
where: short stacking energy: -341.303
Base-Backbone interact. energy: 4.171
local terms energy: -452.165712
where:
bonds (distance) C4'-P energy: -100.896
bonds (distance) P-C4' energy: -96.988
flat angles C4'-P-C4' energy: -93.586
flat angles P-C4'-P energy: -62.251
tors. eta vs tors. theta energy: -98.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -762.437091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.437091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.437091 (E_RNA)
where:
Base-Base interactions energy: -382.058
where: short stacking energy: -255.032
Base-Backbone interact. energy: -1.682
local terms energy: -378.697592
where:
bonds (distance) C4'-P energy: -88.309
bonds (distance) P-C4' energy: -98.358
flat angles C4'-P-C4' energy: -86.653
flat angles P-C4'-P energy: -46.942
tors. eta vs tors. theta energy: -58.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -706.795402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.795402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.795402 (E_RNA)
where:
Base-Base interactions energy: -348.615
where: short stacking energy: -236.731
Base-Backbone interact. energy: -0.424
local terms energy: -357.756348
where:
bonds (distance) C4'-P energy: -81.196
bonds (distance) P-C4' energy: -81.727
flat angles C4'-P-C4' energy: -94.121
flat angles P-C4'-P energy: -40.506
tors. eta vs tors. theta energy: -60.206
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: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -570.172991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.172991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.172991 (E_RNA)
where:
Base-Base interactions energy: -229.423
where: short stacking energy: -193.720
Base-Backbone interact. energy: -0.427
local terms energy: -340.323412
where:
bonds (distance) C4'-P energy: -92.028
bonds (distance) P-C4' energy: -86.065
flat angles C4'-P-C4' energy: -84.748
flat angles P-C4'-P energy: -51.604
tors. eta vs tors. theta energy: -25.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -445.759339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.759339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.759339 (E_RNA)
where:
Base-Base interactions energy: -160.158
where: short stacking energy: -155.471
Base-Backbone interact. energy: -0.314
local terms energy: -285.287581
where:
bonds (distance) C4'-P energy: -75.246
bonds (distance) P-C4' energy: -82.008
flat angles C4'-P-C4' energy: -70.497
flat angles P-C4'-P energy: -54.295
tors. eta vs tors. theta energy: -3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -401.274390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.274390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.274390 (E_RNA)
where:
Base-Base interactions energy: -134.713
where: short stacking energy: -119.260
Base-Backbone interact. energy: 1.961
local terms energy: -268.522724
where:
bonds (distance) C4'-P energy: -80.522
bonds (distance) P-C4' energy: -82.788
flat angles C4'-P-C4' energy: -67.055
flat angles P-C4'-P energy: -48.350
tors. eta vs tors. theta energy: 10.192
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: 9, replica: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -380.263231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.263231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.263231 (E_RNA)
where:
Base-Base interactions energy: -141.649
where: short stacking energy: -95.689
Base-Backbone interact. energy: -0.799
local terms energy: -237.814487
where:
bonds (distance) C4'-P energy: -71.491
bonds (distance) P-C4' energy: -60.352
flat angles C4'-P-C4' energy: -67.926
flat angles P-C4'-P energy: -49.515
tors. eta vs tors. theta energy: 11.470
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: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -365.439261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.439261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.439261 (E_RNA)
where:
Base-Base interactions energy: -118.827
where: short stacking energy: -106.827
Base-Backbone interact. energy: 1.676
local terms energy: -248.287649
where:
bonds (distance) C4'-P energy: -75.974
bonds (distance) P-C4' energy: -73.121
flat angles C4'-P-C4' energy: -69.485
flat angles P-C4'-P energy: -31.359
tors. eta vs tors. theta energy: 1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1171.466721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.466721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.466721 (E_RNA)
where:
Base-Base interactions energy: -706.123
where: short stacking energy: -415.634
Base-Backbone interact. energy: -1.353
local terms energy: -463.991270
where:
bonds (distance) C4'-P energy: -76.665
bonds (distance) P-C4' energy: -97.597
flat angles C4'-P-C4' energy: -104.530
flat angles P-C4'-P energy: -72.161
tors. eta vs tors. theta energy: -113.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1011.398572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.398572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.398572 (E_RNA)
where:
Base-Base interactions energy: -578.287
where: short stacking energy: -363.287
Base-Backbone interact. energy: -0.656
local terms energy: -432.455902
where:
bonds (distance) C4'-P energy: -80.330
bonds (distance) P-C4' energy: -101.174
flat angles C4'-P-C4' energy: -94.675
flat angles P-C4'-P energy: -52.999
tors. eta vs tors. theta energy: -103.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1008.789503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.789503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.789503 (E_RNA)
where:
Base-Base interactions energy: -573.990
where: short stacking energy: -338.922
Base-Backbone interact. energy: 0.676
local terms energy: -435.475197
where:
bonds (distance) C4'-P energy: -90.916
bonds (distance) P-C4' energy: -90.525
flat angles C4'-P-C4' energy: -89.923
flat angles P-C4'-P energy: -69.968
tors. eta vs tors. theta energy: -94.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -766.831558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.831558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.831558 (E_RNA)
where:
Base-Base interactions energy: -392.038
where: short stacking energy: -241.131
Base-Backbone interact. energy: 2.173
local terms energy: -376.966742
where:
bonds (distance) C4'-P energy: -83.815
bonds (distance) P-C4' energy: -92.920
flat angles C4'-P-C4' energy: -81.121
flat angles P-C4'-P energy: -57.683
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: 5, replica: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -709.131455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.131455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.131455 (E_RNA)
where:
Base-Base interactions energy: -371.600
where: short stacking energy: -219.749
Base-Backbone interact. energy: -0.257
local terms energy: -337.274624
where:
bonds (distance) C4'-P energy: -76.668
bonds (distance) P-C4' energy: -89.062
flat angles C4'-P-C4' energy: -78.731
flat angles P-C4'-P energy: -54.448
tors. eta vs tors. theta energy: -38.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -589.971238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.971238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.971238 (E_RNA)
where:
Base-Base interactions energy: -277.845
where: short stacking energy: -203.522
Base-Backbone interact. energy: -0.108
local terms energy: -312.018403
where:
bonds (distance) C4'-P energy: -62.024
bonds (distance) P-C4' energy: -82.743
flat angles C4'-P-C4' energy: -70.400
flat angles P-C4'-P energy: -51.113
tors. eta vs tors. theta energy: -45.738
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: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -441.020148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.020148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.020148 (E_RNA)
where:
Base-Base interactions energy: -146.611
where: short stacking energy: -139.484
Base-Backbone interact. energy: 0.262
local terms energy: -294.671499
where:
bonds (distance) C4'-P energy: -85.859
bonds (distance) P-C4' energy: -91.626
flat angles C4'-P-C4' energy: -77.696
flat angles P-C4'-P energy: -43.052
tors. eta vs tors. theta energy: 3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -438.786539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.786539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.786539 (E_RNA)
where:
Base-Base interactions energy: -166.726
where: short stacking energy: -142.323
Base-Backbone interact. energy: -0.238
local terms energy: -271.823244
where:
bonds (distance) C4'-P energy: -75.142
bonds (distance) P-C4' energy: -83.660
flat angles C4'-P-C4' energy: -58.908
flat angles P-C4'-P energy: -48.638
tors. eta vs tors. theta energy: -5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -390.586105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.586105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.586105 (E_RNA)
where:
Base-Base interactions energy: -128.184
where: short stacking energy: -116.328
Base-Backbone interact. energy: 0.959
local terms energy: -263.360855
where:
bonds (distance) C4'-P energy: -79.465
bonds (distance) P-C4' energy: -80.986
flat angles C4'-P-C4' energy: -63.898
flat angles P-C4'-P energy: -43.838
tors. eta vs tors. theta energy: 4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -365.692841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.692841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.692841 (E_RNA)
where:
Base-Base interactions energy: -117.196
where: short stacking energy: -107.065
Base-Backbone interact. energy: -2.681
local terms energy: -245.815617
where:
bonds (distance) C4'-P energy: -79.470
bonds (distance) P-C4' energy: -84.680
flat angles C4'-P-C4' energy: -56.699
flat angles P-C4'-P energy: -37.154
tors. eta vs tors. theta energy: 12.187
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1149.499077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.499077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.499077 (E_RNA)
where:
Base-Base interactions energy: -681.690
where: short stacking energy: -389.746
Base-Backbone interact. energy: -1.639
local terms energy: -466.169738
where:
bonds (distance) C4'-P energy: -97.645
bonds (distance) P-C4' energy: -100.660
flat angles C4'-P-C4' energy: -96.797
flat angles P-C4'-P energy: -69.897
tors. eta vs tors. theta energy: -101.171
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: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1048.915466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.915466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.915466 (E_RNA)
where:
Base-Base interactions energy: -616.479
where: short stacking energy: -368.579
Base-Backbone interact. energy: 2.797
local terms energy: -435.232965
where:
bonds (distance) C4'-P energy: -77.534
bonds (distance) P-C4' energy: -101.263
flat angles C4'-P-C4' energy: -96.818
flat angles P-C4'-P energy: -64.519
tors. eta vs tors. theta energy: -95.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1023.742289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.742289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.742289 (E_RNA)
where:
Base-Base interactions energy: -589.493
where: short stacking energy: -343.339
Base-Backbone interact. energy: -1.489
local terms energy: -432.760807
where:
bonds (distance) C4'-P energy: -77.682
bonds (distance) P-C4' energy: -89.376
flat angles C4'-P-C4' energy: -101.725
flat angles P-C4'-P energy: -63.353
tors. eta vs tors. theta energy: -100.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -820.523283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.523283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.523283 (E_RNA)
where:
Base-Base interactions energy: -423.878
where: short stacking energy: -285.182
Base-Backbone interact. energy: 1.217
local terms energy: -397.861897
where:
bonds (distance) C4'-P energy: -86.433
bonds (distance) P-C4' energy: -92.194
flat angles C4'-P-C4' energy: -88.037
flat angles P-C4'-P energy: -65.665
tors. eta vs tors. theta energy: -65.534
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: 1
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -687.490037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.490037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.490037 (E_RNA)
where:
Base-Base interactions energy: -347.935
where: short stacking energy: -199.121
Base-Backbone interact. energy: 0.206
local terms energy: -339.760537
where:
bonds (distance) C4'-P energy: -86.427
bonds (distance) P-C4' energy: -98.900
flat angles C4'-P-C4' energy: -80.297
flat angles P-C4'-P energy: -44.487
tors. eta vs tors. theta energy: -29.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -566.018318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.018318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.018318 (E_RNA)
where:
Base-Base interactions energy: -252.241
where: short stacking energy: -191.102
Base-Backbone interact. energy: 3.643
local terms energy: -317.420120
where:
bonds (distance) C4'-P energy: -86.629
bonds (distance) P-C4' energy: -78.130
flat angles C4'-P-C4' energy: -91.436
flat angles P-C4'-P energy: -40.231
tors. eta vs tors. theta energy: -20.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -465.753897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.753897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.753897 (E_RNA)
where:
Base-Base interactions energy: -185.975
where: short stacking energy: -135.196
Base-Backbone interact. energy: -0.708
local terms energy: -279.070263
where:
bonds (distance) C4'-P energy: -73.940
bonds (distance) P-C4' energy: -70.762
flat angles C4'-P-C4' energy: -81.166
flat angles P-C4'-P energy: -43.479
tors. eta vs tors. theta energy: -9.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -458.748324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.748324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.748324 (E_RNA)
where:
Base-Base interactions energy: -160.497
where: short stacking energy: -130.182
Base-Backbone interact. energy: -1.427
local terms energy: -296.824728
where:
bonds (distance) C4'-P energy: -89.214
bonds (distance) P-C4' energy: -76.734
flat angles C4'-P-C4' energy: -78.920
flat angles P-C4'-P energy: -55.250
tors. eta vs tors. theta energy: 3.294
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: 5
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -411.644315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.644315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.644315 (E_RNA)
where:
Base-Base interactions energy: -150.526
where: short stacking energy: -125.583
Base-Backbone interact. energy: 1.503
local terms energy: -262.621752
where:
bonds (distance) C4'-P energy: -83.185
bonds (distance) P-C4' energy: -73.696
flat angles C4'-P-C4' energy: -79.697
flat angles P-C4'-P energy: -32.144
tors. eta vs tors. theta energy: 6.100
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: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -354.658662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.658662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.658662 (E_RNA)
where:
Base-Base interactions energy: -115.359
where: short stacking energy: -98.254
Base-Backbone interact. energy: 4.189
local terms energy: -243.488681
where:
bonds (distance) C4'-P energy: -91.061
bonds (distance) P-C4' energy: -80.196
flat angles C4'-P-C4' energy: -65.554
flat angles P-C4'-P energy: -33.515
tors. eta vs tors. theta energy: 26.837
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1176.763727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.763727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.763727 (E_RNA)
where:
Base-Base interactions energy: -700.807
where: short stacking energy: -389.438
Base-Backbone interact. energy: -2.956
local terms energy: -473.000977
where:
bonds (distance) C4'-P energy: -89.809
bonds (distance) P-C4' energy: -94.249
flat angles C4'-P-C4' energy: -105.676
flat angles P-C4'-P energy: -76.428
tors. eta vs tors. theta energy: -106.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1043.178066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.178066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.178066 (E_RNA)
where:
Base-Base interactions energy: -575.832
where: short stacking energy: -354.743
Base-Backbone interact. energy: -1.066
local terms energy: -466.279422
where:
bonds (distance) C4'-P energy: -94.799
bonds (distance) P-C4' energy: -90.939
flat angles C4'-P-C4' energy: -105.294
flat angles P-C4'-P energy: -68.305
tors. eta vs tors. theta energy: -106.943
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: 3, replica: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -973.339340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.339340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.339340 (E_RNA)
where:
Base-Base interactions energy: -537.551
where: short stacking energy: -321.097
Base-Backbone interact. energy: -2.140
local terms energy: -433.647808
where:
bonds (distance) C4'-P energy: -90.975
bonds (distance) P-C4' energy: -94.469
flat angles C4'-P-C4' energy: -94.725
flat angles P-C4'-P energy: -65.865
tors. eta vs tors. theta energy: -87.613
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: 1
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -741.250093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.250093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.250093 (E_RNA)
where:
Base-Base interactions energy: -354.934
where: short stacking energy: -254.237
Base-Backbone interact. energy: 0.306
local terms energy: -386.621853
where:
bonds (distance) C4'-P energy: -83.076
bonds (distance) P-C4' energy: -81.735
flat angles C4'-P-C4' energy: -92.950
flat angles P-C4'-P energy: -66.209
tors. eta vs tors. theta energy: -62.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -735.678353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.678353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.678353 (E_RNA)
where:
Base-Base interactions energy: -381.418
where: short stacking energy: -259.666
Base-Backbone interact. energy: -1.891
local terms energy: -352.369246
where:
bonds (distance) C4'-P energy: -81.467
bonds (distance) P-C4' energy: -88.403
flat angles C4'-P-C4' energy: -80.962
flat angles P-C4'-P energy: -48.032
tors. eta vs tors. theta energy: -53.505
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: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -559.431965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.431965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.431965 (E_RNA)
where:
Base-Base interactions energy: -259.718
where: short stacking energy: -179.860
Base-Backbone interact. energy: -2.694
local terms energy: -297.019405
where:
bonds (distance) C4'-P energy: -66.983
bonds (distance) P-C4' energy: -78.391
flat angles C4'-P-C4' energy: -93.279
flat angles P-C4'-P energy: -42.972
tors. eta vs tors. theta energy: -15.395
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: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -456.387613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.387613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.387613 (E_RNA)
where:
Base-Base interactions energy: -155.248
where: short stacking energy: -136.370
Base-Backbone interact. energy: -1.228
local terms energy: -299.911378
where:
bonds (distance) C4'-P energy: -78.157
bonds (distance) P-C4' energy: -92.586
flat angles C4'-P-C4' energy: -82.351
flat angles P-C4'-P energy: -47.553
tors. eta vs tors. theta energy: 0.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -429.196805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.196805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.196805 (E_RNA)
where:
Base-Base interactions energy: -140.620
where: short stacking energy: -132.516
Base-Backbone interact. energy: -0.588
local terms energy: -287.988402
where:
bonds (distance) C4'-P energy: -86.476
bonds (distance) P-C4' energy: -81.377
flat angles C4'-P-C4' energy: -65.358
flat angles P-C4'-P energy: -45.985
tors. eta vs tors. theta energy: -8.793
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: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -422.790050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.790050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.790050 (E_RNA)
where:
Base-Base interactions energy: -161.972
where: short stacking energy: -112.702
Base-Backbone interact. energy: -2.094
local terms energy: -258.724476
where:
bonds (distance) C4'-P energy: -67.216
bonds (distance) P-C4' energy: -77.039
flat angles C4'-P-C4' energy: -75.966
flat angles P-C4'-P energy: -41.825
tors. eta vs tors. theta energy: 3.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -417.810874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.810874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.810874 (E_RNA)
where:
Base-Base interactions energy: -169.714
where: short stacking energy: -124.001
Base-Backbone interact. energy: 8.485
local terms energy: -256.581769
where:
bonds (distance) C4'-P energy: -70.479
bonds (distance) P-C4' energy: -71.291
flat angles C4'-P-C4' energy: -68.752
flat angles P-C4'-P energy: -49.760
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1191.221352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.221352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.221352 (E_RNA)
where:
Base-Base interactions energy: -707.406
where: short stacking energy: -375.320
Base-Backbone interact. energy: -2.145
local terms energy: -481.670080
where:
bonds (distance) C4'-P energy: -100.278
bonds (distance) P-C4' energy: -103.325
flat angles C4'-P-C4' energy: -114.941
flat angles P-C4'-P energy: -60.272
tors. eta vs tors. theta energy: -102.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1061.574650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.574650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.574650 (E_RNA)
where:
Base-Base interactions energy: -608.352
where: short stacking energy: -383.431
Base-Backbone interact. energy: -0.195
local terms energy: -453.027707
where:
bonds (distance) C4'-P energy: -81.403
bonds (distance) P-C4' energy: -94.343
flat angles C4'-P-C4' energy: -96.616
flat angles P-C4'-P energy: -64.205
tors. eta vs tors. theta energy: -116.461
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: 134
Temperature: 1.000000
Total energy: -953.627018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.627018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.627018 (E_RNA)
where:
Base-Base interactions energy: -511.571
where: short stacking energy: -313.081
Base-Backbone interact. energy: -0.343
local terms energy: -441.713030
where:
bonds (distance) C4'-P energy: -98.978
bonds (distance) P-C4' energy: -90.644
flat angles C4'-P-C4' energy: -98.322
flat angles P-C4'-P energy: -69.158
tors. eta vs tors. theta energy: -84.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -810.510623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.510623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.510623 (E_RNA)
where:
Base-Base interactions energy: -390.118
where: short stacking energy: -272.384
Base-Backbone interact. energy: -0.409
local terms energy: -419.983451
where:
bonds (distance) C4'-P energy: -92.592
bonds (distance) P-C4' energy: -92.739
flat angles C4'-P-C4' energy: -88.968
flat angles P-C4'-P energy: -64.274
tors. eta vs tors. theta energy: -81.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -671.872698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.872698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.872698 (E_RNA)
where:
Base-Base interactions energy: -337.597
where: short stacking energy: -217.922
Base-Backbone interact. energy: -1.227
local terms energy: -333.048255
where:
bonds (distance) C4'-P energy: -81.880
bonds (distance) P-C4' energy: -85.749
flat angles C4'-P-C4' energy: -88.269
flat angles P-C4'-P energy: -48.887
tors. eta vs tors. theta energy: -28.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -607.501686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.501686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.501686 (E_RNA)
where:
Base-Base interactions energy: -281.599
where: short stacking energy: -193.055
Base-Backbone interact. energy: -1.498
local terms energy: -324.404622
where:
bonds (distance) C4'-P energy: -69.957
bonds (distance) P-C4' energy: -79.789
flat angles C4'-P-C4' energy: -78.821
flat angles P-C4'-P energy: -61.898
tors. eta vs tors. theta energy: -33.939
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: 7, replica: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -507.623112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.623112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.623112 (E_RNA)
where:
Base-Base interactions energy: -193.462
where: short stacking energy: -175.525
Base-Backbone interact. energy: 0.265
local terms energy: -314.426008
where:
bonds (distance) C4'-P energy: -74.522
bonds (distance) P-C4' energy: -86.987
flat angles C4'-P-C4' energy: -77.106
flat angles P-C4'-P energy: -44.994
tors. eta vs tors. theta energy: -30.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -401.948516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.948516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.948516 (E_RNA)
where:
Base-Base interactions energy: -138.387
where: short stacking energy: -124.849
Base-Backbone interact. energy: -1.745
local terms energy: -261.816054
where:
bonds (distance) C4'-P energy: -78.131
bonds (distance) P-C4' energy: -77.956
flat angles C4'-P-C4' energy: -68.750
flat angles P-C4'-P energy: -41.186
tors. eta vs tors. theta energy: 4.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -408.462636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.462636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.462636 (E_RNA)
where:
Base-Base interactions energy: -151.818
where: short stacking energy: -120.109
Base-Backbone interact. energy: 1.100
local terms energy: -257.744688
where:
bonds (distance) C4'-P energy: -77.631
bonds (distance) P-C4' energy: -73.539
flat angles C4'-P-C4' energy: -75.181
flat angles P-C4'-P energy: -28.821
tors. eta vs tors. theta energy: -2.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -371.534653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.534653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.534653 (E_RNA)
where:
Base-Base interactions energy: -129.130
where: short stacking energy: -104.312
Base-Backbone interact. energy: 3.164
local terms energy: -245.568128
where:
bonds (distance) C4'-P energy: -81.972
bonds (distance) P-C4' energy: -75.662
flat angles C4'-P-C4' energy: -75.428
flat angles P-C4'-P energy: -32.320
tors. eta vs tors. theta energy: 19.814
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1194.953778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.953778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.953778 (E_RNA)
where:
Base-Base interactions energy: -731.317
where: short stacking energy: -392.618
Base-Backbone interact. energy: -2.116
local terms energy: -461.520608
where:
bonds (distance) C4'-P energy: -94.942
bonds (distance) P-C4' energy: -93.200
flat angles C4'-P-C4' energy: -102.129
flat angles P-C4'-P energy: -65.821
tors. eta vs tors. theta energy: -105.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1067.782436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.782436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.782436 (E_RNA)
where:
Base-Base interactions energy: -592.248
where: short stacking energy: -372.711
Base-Backbone interact. energy: -0.165
local terms energy: -475.369276
where:
bonds (distance) C4'-P energy: -94.154
bonds (distance) P-C4' energy: -105.752
flat angles C4'-P-C4' energy: -107.873
flat angles P-C4'-P energy: -58.061
tors. eta vs tors. theta energy: -109.529
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: 3
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -938.958335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.958335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.958335 (E_RNA)
where:
Base-Base interactions energy: -516.894
where: short stacking energy: -318.188
Base-Backbone interact. energy: -1.558
local terms energy: -420.506842
where:
bonds (distance) C4'-P energy: -90.964
bonds (distance) P-C4' energy: -99.317
flat angles C4'-P-C4' energy: -94.042
flat angles P-C4'-P energy: -52.534
tors. eta vs tors. theta energy: -83.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -741.973487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.973487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.973487 (E_RNA)
where:
Base-Base interactions energy: -376.630
where: short stacking energy: -267.344
Base-Backbone interact. energy: 2.590
local terms energy: -367.933971
where:
bonds (distance) C4'-P energy: -85.276
bonds (distance) P-C4' energy: -87.619
flat angles C4'-P-C4' energy: -86.777
flat angles P-C4'-P energy: -50.716
tors. eta vs tors. theta energy: -57.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -693.155129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.155129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.155129 (E_RNA)
where:
Base-Base interactions energy: -348.983
where: short stacking energy: -237.522
Base-Backbone interact. energy: 0.543
local terms energy: -344.715398
where:
bonds (distance) C4'-P energy: -72.185
bonds (distance) P-C4' energy: -86.620
flat angles C4'-P-C4' energy: -89.692
flat angles P-C4'-P energy: -55.341
tors. eta vs tors. theta energy: -40.878
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: 6, replica: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -584.499790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.499790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.499790 (E_RNA)
where:
Base-Base interactions energy: -263.147
where: short stacking energy: -180.246
Base-Backbone interact. energy: -0.766
local terms energy: -320.587102
where:
bonds (distance) C4'-P energy: -87.085
bonds (distance) P-C4' energy: -90.191
flat angles C4'-P-C4' energy: -74.252
flat angles P-C4'-P energy: -51.261
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -472.076856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.076856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.076856 (E_RNA)
where:
Base-Base interactions energy: -207.045
where: short stacking energy: -159.640
Base-Backbone interact. energy: 1.462
local terms energy: -266.494735
where:
bonds (distance) C4'-P energy: -65.123
bonds (distance) P-C4' energy: -80.373
flat angles C4'-P-C4' energy: -73.591
flat angles P-C4'-P energy: -40.158
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -387.283915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.283915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.283915 (E_RNA)
where:
Base-Base interactions energy: -119.236
where: short stacking energy: -95.280
Base-Backbone interact. energy: -1.731
local terms energy: -266.317679
where:
bonds (distance) C4'-P energy: -85.792
bonds (distance) P-C4' energy: -87.317
flat angles C4'-P-C4' energy: -74.458
flat angles P-C4'-P energy: -32.908
tors. eta vs tors. theta energy: 14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -361.826342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.826342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.826342 (E_RNA)
where:
Base-Base interactions energy: -129.337
where: short stacking energy: -109.118
Base-Backbone interact. energy: 1.489
local terms energy: -233.978420
where:
bonds (distance) C4'-P energy: -66.983
bonds (distance) P-C4' energy: -86.447
flat angles C4'-P-C4' energy: -64.631
flat angles P-C4'-P energy: -26.247
tors. eta vs tors. theta energy: 10.330
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: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -338.756748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.756748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.756748 (E_RNA)
where:
Base-Base interactions energy: -117.747
where: short stacking energy: -100.081
Base-Backbone interact. energy: 0.005
local terms energy: -221.014520
where:
bonds (distance) C4'-P energy: -74.004
bonds (distance) P-C4' energy: -70.559
flat angles C4'-P-C4' energy: -58.237
flat angles P-C4'-P energy: -37.444
tors. eta vs tors. theta energy: 19.230
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1170.932774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.932774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.932774 (E_RNA)
where:
Base-Base interactions energy: -685.843
where: short stacking energy: -405.478
Base-Backbone interact. energy: -0.352
local terms energy: -484.738142
where:
bonds (distance) C4'-P energy: -86.901
bonds (distance) P-C4' energy: -101.696
flat angles C4'-P-C4' energy: -106.462
flat angles P-C4'-P energy: -76.723
tors. eta vs tors. theta energy: -112.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1037.918281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.918281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.918281 (E_RNA)
where:
Base-Base interactions energy: -585.144
where: short stacking energy: -370.820
Base-Backbone interact. energy: -1.628
local terms energy: -451.146036
where:
bonds (distance) C4'-P energy: -78.664
bonds (distance) P-C4' energy: -102.901
flat angles C4'-P-C4' energy: -97.107
flat angles P-C4'-P energy: -66.277
tors. eta vs tors. theta energy: -106.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -938.437359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.437359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.437359 (E_RNA)
where:
Base-Base interactions energy: -528.120
where: short stacking energy: -320.223
Base-Backbone interact. energy: -3.482
local terms energy: -406.836245
where:
bonds (distance) C4'-P energy: -78.229
bonds (distance) P-C4' energy: -96.143
flat angles C4'-P-C4' energy: -82.219
flat angles P-C4'-P energy: -69.243
tors. eta vs tors. theta energy: -81.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -788.202521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.202521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.202521 (E_RNA)
where:
Base-Base interactions energy: -416.490
where: short stacking energy: -257.359
Base-Backbone interact. energy: 0.599
local terms energy: -372.311945
where:
bonds (distance) C4'-P energy: -89.927
bonds (distance) P-C4' energy: -95.255
flat angles C4'-P-C4' energy: -78.604
flat angles P-C4'-P energy: -48.940
tors. eta vs tors. theta energy: -59.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -606.544496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.544496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.544496 (E_RNA)
where:
Base-Base interactions energy: -278.126
where: short stacking energy: -200.294
Base-Backbone interact. energy: 1.376
local terms energy: -329.795076
where:
bonds (distance) C4'-P energy: -76.987
bonds (distance) P-C4' energy: -91.219
flat angles C4'-P-C4' energy: -85.118
flat angles P-C4'-P energy: -48.321
tors. eta vs tors. theta energy: -28.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -654.543221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.543221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.543221 (E_RNA)
where:
Base-Base interactions energy: -326.813
where: short stacking energy: -198.731
Base-Backbone interact. energy: -1.034
local terms energy: -326.696052
where:
bonds (distance) C4'-P energy: -88.549
bonds (distance) P-C4' energy: -86.323
flat angles C4'-P-C4' energy: -72.888
flat angles P-C4'-P energy: -50.357
tors. eta vs tors. theta energy: -28.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -468.079664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.079664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.079664 (E_RNA)
where:
Base-Base interactions energy: -150.106
where: short stacking energy: -137.883
Base-Backbone interact. energy: 0.395
local terms energy: -318.368406
where:
bonds (distance) C4'-P energy: -77.632
bonds (distance) P-C4' energy: -85.012
flat angles C4'-P-C4' energy: -86.130
flat angles P-C4'-P energy: -53.764
tors. eta vs tors. theta energy: -15.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -435.364636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.364636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.364636 (E_RNA)
where:
Base-Base interactions energy: -152.481
where: short stacking energy: -131.835
Base-Backbone interact. energy: -1.938
local terms energy: -280.945900
where:
bonds (distance) C4'-P energy: -74.620
bonds (distance) P-C4' energy: -89.591
flat angles C4'-P-C4' energy: -73.281
flat angles P-C4'-P energy: -43.109
tors. eta vs tors. theta energy: -0.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -392.179324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.179324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.179324 (E_RNA)
where:
Base-Base interactions energy: -119.908
where: short stacking energy: -119.514
Base-Backbone interact. energy: 1.412
local terms energy: -273.682915
where:
bonds (distance) C4'-P energy: -79.611
bonds (distance) P-C4' energy: -79.444
flat angles C4'-P-C4' energy: -74.413
flat angles P-C4'-P energy: -46.377
tors. eta vs tors. theta energy: 6.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -328.216909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.216909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.216909 (E_RNA)
where:
Base-Base interactions energy: -89.709
where: short stacking energy: -83.541
Base-Backbone interact. energy: 7.048
local terms energy: -245.556292
where:
bonds (distance) C4'-P energy: -86.130
bonds (distance) P-C4' energy: -71.500
flat angles C4'-P-C4' energy: -62.728
flat angles P-C4'-P energy: -32.613
tors. eta vs tors. theta energy: 7.415
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1215.558018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.558018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.558018 (E_RNA)
where:
Base-Base interactions energy: -754.574
where: short stacking energy: -394.220
Base-Backbone interact. energy: -2.600
local terms energy: -458.384305
where:
bonds (distance) C4'-P energy: -80.330
bonds (distance) P-C4' energy: -103.429
flat angles C4'-P-C4' energy: -98.390
flat angles P-C4'-P energy: -57.773
tors. eta vs tors. theta energy: -118.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1045.143980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.143980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.143980 (E_RNA)
where:
Base-Base interactions energy: -589.076
where: short stacking energy: -362.045
Base-Backbone interact. energy: -1.258
local terms energy: -454.810019
where:
bonds (distance) C4'-P energy: -87.189
bonds (distance) P-C4' energy: -92.462
flat angles C4'-P-C4' energy: -108.618
flat angles P-C4'-P energy: -61.152
tors. eta vs tors. theta energy: -105.390
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: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -954.243422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.243422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.243422 (E_RNA)
where:
Base-Base interactions energy: -556.266
where: short stacking energy: -314.397
Base-Backbone interact. energy: 3.383
local terms energy: -401.360625
where:
bonds (distance) C4'-P energy: -88.533
bonds (distance) P-C4' energy: -91.482
flat angles C4'-P-C4' energy: -91.008
flat angles P-C4'-P energy: -53.776
tors. eta vs tors. theta energy: -76.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -833.744785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.744785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.744785 (E_RNA)
where:
Base-Base interactions energy: -448.465
where: short stacking energy: -285.386
Base-Backbone interact. energy: -1.252
local terms energy: -384.028499
where:
bonds (distance) C4'-P energy: -87.362
bonds (distance) P-C4' energy: -77.130
flat angles C4'-P-C4' energy: -90.747
flat angles P-C4'-P energy: -55.998
tors. eta vs tors. theta energy: -72.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -611.484575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.484575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.484575 (E_RNA)
where:
Base-Base interactions energy: -263.072
where: short stacking energy: -201.352
Base-Backbone interact. energy: -0.515
local terms energy: -347.897373
where:
bonds (distance) C4'-P energy: -84.771
bonds (distance) P-C4' energy: -84.446
flat angles C4'-P-C4' energy: -77.869
flat angles P-C4'-P energy: -49.588
tors. eta vs tors. theta energy: -51.222
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: 2
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -671.574231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.574231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.574231 (E_RNA)
where:
Base-Base interactions energy: -339.836
where: short stacking energy: -208.917
Base-Backbone interact. energy: -0.755
local terms energy: -330.984023
where:
bonds (distance) C4'-P energy: -87.317
bonds (distance) P-C4' energy: -83.412
flat angles C4'-P-C4' energy: -88.263
flat angles P-C4'-P energy: -38.566
tors. eta vs tors. theta energy: -33.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -463.951299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.951299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.951299 (E_RNA)
where:
Base-Base interactions energy: -180.689
where: short stacking energy: -147.740
Base-Backbone interact. energy: 2.801
local terms energy: -286.062560
where:
bonds (distance) C4'-P energy: -58.566
bonds (distance) P-C4' energy: -96.824
flat angles C4'-P-C4' energy: -81.464
flat angles P-C4'-P energy: -38.104
tors. eta vs tors. theta energy: -11.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -403.729784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.729784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.729784 (E_RNA)
where:
Base-Base interactions energy: -146.141
where: short stacking energy: -137.358
Base-Backbone interact. energy: -1.423
local terms energy: -256.165323
where:
bonds (distance) C4'-P energy: -70.361
bonds (distance) P-C4' energy: -82.346
flat angles C4'-P-C4' energy: -68.893
flat angles P-C4'-P energy: -30.623
tors. eta vs tors. theta energy: -3.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -366.355837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.355837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.355837 (E_RNA)
where:
Base-Base interactions energy: -116.480
where: short stacking energy: -106.845
Base-Backbone interact. energy: -1.539
local terms energy: -248.336248
where:
bonds (distance) C4'-P energy: -84.232
bonds (distance) P-C4' energy: -49.245
flat angles C4'-P-C4' energy: -85.072
flat angles P-C4'-P energy: -45.726
tors. eta vs tors. theta energy: 15.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -358.609279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.609279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.609279 (E_RNA)
where:
Base-Base interactions energy: -119.882
where: short stacking energy: -107.858
Base-Backbone interact. energy: 0.027
local terms energy: -238.754332
where:
bonds (distance) C4'-P energy: -76.714
bonds (distance) P-C4' energy: -89.022
flat angles C4'-P-C4' energy: -56.572
flat angles P-C4'-P energy: -31.188
tors. eta vs tors. theta energy: 14.741
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1196.070598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.070598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.070598 (E_RNA)
where:
Base-Base interactions energy: -723.723
where: short stacking energy: -384.312
Base-Backbone interact. energy: -3.168
local terms energy: -469.178694
where:
bonds (distance) C4'-P energy: -94.703
bonds (distance) P-C4' energy: -97.809
flat angles C4'-P-C4' energy: -99.877
flat angles P-C4'-P energy: -64.877
tors. eta vs tors. theta energy: -111.913
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: 2, replica: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1026.947936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.947936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.947936 (E_RNA)
where:
Base-Base interactions energy: -574.236
where: short stacking energy: -351.571
Base-Backbone interact. energy: 2.782
local terms energy: -455.493400
where:
bonds (distance) C4'-P energy: -93.349
bonds (distance) P-C4' energy: -93.094
flat angles C4'-P-C4' energy: -103.728
flat angles P-C4'-P energy: -63.299
tors. eta vs tors. theta energy: -102.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -935.205259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.205259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.205259 (E_RNA)
where:
Base-Base interactions energy: -541.129
where: short stacking energy: -321.857
Base-Backbone interact. energy: -2.380
local terms energy: -391.695464
where:
bonds (distance) C4'-P energy: -80.368
bonds (distance) P-C4' energy: -85.086
flat angles C4'-P-C4' energy: -91.979
flat angles P-C4'-P energy: -56.842
tors. eta vs tors. theta energy: -77.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -788.918850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.918850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.918850 (E_RNA)
where:
Base-Base interactions energy: -405.183
where: short stacking energy: -268.259
Base-Backbone interact. energy: 0.519
local terms energy: -384.254757
where:
bonds (distance) C4'-P energy: -86.398
bonds (distance) P-C4' energy: -84.000
flat angles C4'-P-C4' energy: -89.950
flat angles P-C4'-P energy: -53.839
tors. eta vs tors. theta energy: -70.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -675.457280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.457280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.457280 (E_RNA)
where:
Base-Base interactions energy: -333.510
where: short stacking energy: -215.714
Base-Backbone interact. energy: 1.765
local terms energy: -343.713043
where:
bonds (distance) C4'-P energy: -90.953
bonds (distance) P-C4' energy: -85.073
flat angles C4'-P-C4' energy: -71.774
flat angles P-C4'-P energy: -62.676
tors. eta vs tors. theta energy: -33.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -591.234320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.234320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.234320 (E_RNA)
where:
Base-Base interactions energy: -271.471
where: short stacking energy: -191.361
Base-Backbone interact. energy: 1.735
local terms energy: -321.498347
where:
bonds (distance) C4'-P energy: -72.501
bonds (distance) P-C4' energy: -83.234
flat angles C4'-P-C4' energy: -82.167
flat angles P-C4'-P energy: -63.936
tors. eta vs tors. theta energy: -19.661
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: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -443.307436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.307436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.307436 (E_RNA)
where:
Base-Base interactions energy: -159.140
where: short stacking energy: -143.987
Base-Backbone interact. energy: -1.315
local terms energy: -282.852520
where:
bonds (distance) C4'-P energy: -80.756
bonds (distance) P-C4' energy: -81.310
flat angles C4'-P-C4' energy: -83.635
flat angles P-C4'-P energy: -51.346
tors. eta vs tors. theta energy: 14.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -444.809788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.809788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.809788 (E_RNA)
where:
Base-Base interactions energy: -148.150
where: short stacking energy: -129.357
Base-Backbone interact. energy: 2.661
local terms energy: -299.321376
where:
bonds (distance) C4'-P energy: -87.352
bonds (distance) P-C4' energy: -77.107
flat angles C4'-P-C4' energy: -76.207
flat angles P-C4'-P energy: -48.053
tors. eta vs tors. theta energy: -10.602
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: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -387.745965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.745965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.745965 (E_RNA)
where:
Base-Base interactions energy: -121.963
where: short stacking energy: -119.553
Base-Backbone interact. energy: 0.325
local terms energy: -266.108048
where:
bonds (distance) C4'-P energy: -71.266
bonds (distance) P-C4' energy: -70.679
flat angles C4'-P-C4' energy: -76.504
flat angles P-C4'-P energy: -38.848
tors. eta vs tors. theta energy: -8.811
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: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -349.484534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.484534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.484534 (E_RNA)
where:
Base-Base interactions energy: -117.079
where: short stacking energy: -62.296
Base-Backbone interact. energy: -1.507
local terms energy: -230.898864
where:
bonds (distance) C4'-P energy: -59.057
bonds (distance) P-C4' energy: -76.958
flat angles C4'-P-C4' energy: -72.554
flat angles P-C4'-P energy: -37.668
tors. eta vs tors. theta energy: 15.338
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1197.420400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.420400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.420400 (E_RNA)
where:
Base-Base interactions energy: -727.575
where: short stacking energy: -417.871
Base-Backbone interact. energy: -3.711
local terms energy: -466.134827
where:
bonds (distance) C4'-P energy: -92.377
bonds (distance) P-C4' energy: -93.528
flat angles C4'-P-C4' energy: -93.113
flat angles P-C4'-P energy: -73.735
tors. eta vs tors. theta energy: -113.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1071.363588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.363588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.363588 (E_RNA)
where:
Base-Base interactions energy: -634.703
where: short stacking energy: -408.729
Base-Backbone interact. energy: 0.483
local terms energy: -437.143040
where:
bonds (distance) C4'-P energy: -92.915
bonds (distance) P-C4' energy: -94.527
flat angles C4'-P-C4' energy: -92.047
flat angles P-C4'-P energy: -41.760
tors. eta vs tors. theta energy: -115.894
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: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -923.305014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.305014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.305014 (E_RNA)
where:
Base-Base interactions energy: -513.653
where: short stacking energy: -318.968
Base-Backbone interact. energy: -1.604
local terms energy: -408.048045
where:
bonds (distance) C4'-P energy: -88.593
bonds (distance) P-C4' energy: -86.583
flat angles C4'-P-C4' energy: -96.071
flat angles P-C4'-P energy: -60.026
tors. eta vs tors. theta energy: -76.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -793.203126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.203126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.203126 (E_RNA)
where:
Base-Base interactions energy: -415.084
where: short stacking energy: -269.372
Base-Backbone interact. energy: -1.567
local terms energy: -376.552374
where:
bonds (distance) C4'-P energy: -87.687
bonds (distance) P-C4' energy: -90.452
flat angles C4'-P-C4' energy: -87.288
flat angles P-C4'-P energy: -60.426
tors. eta vs tors. theta energy: -50.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -700.560145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.560145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.560145 (E_RNA)
where:
Base-Base interactions energy: -327.128
where: short stacking energy: -234.109
Base-Backbone interact. energy: -1.580
local terms energy: -371.851902
where:
bonds (distance) C4'-P energy: -91.740
bonds (distance) P-C4' energy: -85.873
flat angles C4'-P-C4' energy: -81.185
flat angles P-C4'-P energy: -61.586
tors. eta vs tors. theta energy: -51.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -665.063217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.063217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.063217 (E_RNA)
where:
Base-Base interactions energy: -338.777
where: short stacking energy: -201.412
Base-Backbone interact. energy: -0.626
local terms energy: -325.660091
where:
bonds (distance) C4'-P energy: -82.884
bonds (distance) P-C4' energy: -70.647
flat angles C4'-P-C4' energy: -81.451
flat angles P-C4'-P energy: -45.153
tors. eta vs tors. theta energy: -45.526
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: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -452.341476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.341476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.341476 (E_RNA)
where:
Base-Base interactions energy: -180.573
where: short stacking energy: -149.187
Base-Backbone interact. energy: -1.826
local terms energy: -269.942568
where:
bonds (distance) C4'-P energy: -63.503
bonds (distance) P-C4' energy: -77.557
flat angles C4'-P-C4' energy: -76.886
flat angles P-C4'-P energy: -43.729
tors. eta vs tors. theta energy: -8.267
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: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -415.947895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.947895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.947895 (E_RNA)
where:
Base-Base interactions energy: -153.699
where: short stacking energy: -137.615
Base-Backbone interact. energy: -0.813
local terms energy: -261.436136
where:
bonds (distance) C4'-P energy: -80.082
bonds (distance) P-C4' energy: -77.065
flat angles C4'-P-C4' energy: -61.326
flat angles P-C4'-P energy: -38.817
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -414.735954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.735954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.735954 (E_RNA)
where:
Base-Base interactions energy: -143.480
where: short stacking energy: -126.584
Base-Backbone interact. energy: 1.425
local terms energy: -272.681366
where:
bonds (distance) C4'-P energy: -84.819
bonds (distance) P-C4' energy: -89.597
flat angles C4'-P-C4' energy: -65.306
flat angles P-C4'-P energy: -46.833
tors. eta vs tors. theta energy: 13.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -352.305189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.305189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.305189 (E_RNA)
where:
Base-Base interactions energy: -99.561
where: short stacking energy: -90.105
Base-Backbone interact. energy: -0.775
local terms energy: -251.969169
where:
bonds (distance) C4'-P energy: -58.661
bonds (distance) P-C4' energy: -81.064
flat angles C4'-P-C4' energy: -65.607
flat angles P-C4'-P energy: -49.697
tors. eta vs tors. theta energy: 3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1225.778377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.778377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.778377 (E_RNA)
where:
Base-Base interactions energy: -752.565
where: short stacking energy: -404.137
Base-Backbone interact. energy: -1.429
local terms energy: -471.784291
where:
bonds (distance) C4'-P energy: -94.488
bonds (distance) P-C4' energy: -88.562
flat angles C4'-P-C4' energy: -99.652
flat angles P-C4'-P energy: -75.346
tors. eta vs tors. theta energy: -113.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1082.686787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.686787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.686787 (E_RNA)
where:
Base-Base interactions energy: -626.042
where: short stacking energy: -387.715
Base-Backbone interact. energy: -1.005
local terms energy: -455.639850
where:
bonds (distance) C4'-P energy: -87.295
bonds (distance) P-C4' energy: -93.538
flat angles C4'-P-C4' energy: -92.650
flat angles P-C4'-P energy: -66.417
tors. eta vs tors. theta energy: -115.740
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: 3
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -925.278142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.278142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.278142 (E_RNA)
where:
Base-Base interactions energy: -493.916
where: short stacking energy: -309.855
Base-Backbone interact. energy: -2.336
local terms energy: -429.026249
where:
bonds (distance) C4'-P energy: -92.386
bonds (distance) P-C4' energy: -91.578
flat angles C4'-P-C4' energy: -97.347
flat angles P-C4'-P energy: -61.660
tors. eta vs tors. theta energy: -86.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -802.423374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.423374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.423374 (E_RNA)
where:
Base-Base interactions energy: -422.372
where: short stacking energy: -260.463
Base-Backbone interact. energy: -0.379
local terms energy: -379.672600
where:
bonds (distance) C4'-P energy: -85.940
bonds (distance) P-C4' energy: -87.138
flat angles C4'-P-C4' energy: -91.847
flat angles P-C4'-P energy: -49.379
tors. eta vs tors. theta energy: -65.369
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: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -649.063702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.063702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.063702 (E_RNA)
where:
Base-Base interactions energy: -337.082
where: short stacking energy: -205.707
Base-Backbone interact. energy: -1.538
local terms energy: -310.443855
where:
bonds (distance) C4'-P energy: -71.621
bonds (distance) P-C4' energy: -78.770
flat angles C4'-P-C4' energy: -80.188
flat angles P-C4'-P energy: -45.475
tors. eta vs tors. theta energy: -34.391
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: 2
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -625.157540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.157540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.157540 (E_RNA)
where:
Base-Base interactions energy: -320.239
where: short stacking energy: -184.300
Base-Backbone interact. energy: 4.084
local terms energy: -309.001609
where:
bonds (distance) C4'-P energy: -92.303
bonds (distance) P-C4' energy: -76.616
flat angles C4'-P-C4' energy: -69.255
flat angles P-C4'-P energy: -54.210
tors. eta vs tors. theta energy: -16.618
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: 140
Temperature: 1.200000
Total energy: -480.358002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.358002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.358002 (E_RNA)
where:
Base-Base interactions energy: -187.780
where: short stacking energy: -139.957
Base-Backbone interact. energy: -3.073
local terms energy: -289.504159
where:
bonds (distance) C4'-P energy: -71.929
bonds (distance) P-C4' energy: -85.321
flat angles C4'-P-C4' energy: -61.266
flat angles P-C4'-P energy: -43.006
tors. eta vs tors. theta energy: -27.982
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: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -430.032276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.032276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.032276 (E_RNA)
where:
Base-Base interactions energy: -131.456
where: short stacking energy: -125.005
Base-Backbone interact. energy: 1.032
local terms energy: -299.608409
where:
bonds (distance) C4'-P energy: -90.286
bonds (distance) P-C4' energy: -85.223
flat angles C4'-P-C4' energy: -80.854
flat angles P-C4'-P energy: -32.531
tors. eta vs tors. theta energy: -10.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -385.215653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.215653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.215653 (E_RNA)
where:
Base-Base interactions energy: -139.670
where: short stacking energy: -103.602
Base-Backbone interact. energy: 0.498
local terms energy: -246.043538
where:
bonds (distance) C4'-P energy: -64.940
bonds (distance) P-C4' energy: -70.132
flat angles C4'-P-C4' energy: -74.282
flat angles P-C4'-P energy: -42.437
tors. eta vs tors. theta energy: 5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -350.509893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.509893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.509893 (E_RNA)
where:
Base-Base interactions energy: -128.711
where: short stacking energy: -90.908
Base-Backbone interact. energy: -0.502
local terms energy: -221.296735
where:
bonds (distance) C4'-P energy: -62.113
bonds (distance) P-C4' energy: -73.271
flat angles C4'-P-C4' energy: -75.699
flat angles P-C4'-P energy: -27.766
tors. eta vs tors. theta energy: 17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1178.790522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.790522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.790522 (E_RNA)
where:
Base-Base interactions energy: -709.424
where: short stacking energy: -398.166
Base-Backbone interact. energy: -0.078
local terms energy: -469.288972
where:
bonds (distance) C4'-P energy: -86.144
bonds (distance) P-C4' energy: -92.411
flat angles C4'-P-C4' energy: -103.632
flat angles P-C4'-P energy: -69.045
tors. eta vs tors. theta energy: -118.058
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: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1031.397479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.397479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.397479 (E_RNA)
where:
Base-Base interactions energy: -592.742
where: short stacking energy: -376.216
Base-Backbone interact. energy: -0.917
local terms energy: -437.737804
where:
bonds (distance) C4'-P energy: -93.946
bonds (distance) P-C4' energy: -81.595
flat angles C4'-P-C4' energy: -93.144
flat angles P-C4'-P energy: -65.426
tors. eta vs tors. theta energy: -103.626
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: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -896.755310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.755310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.755310 (E_RNA)
where:
Base-Base interactions energy: -490.635
where: short stacking energy: -328.535
Base-Backbone interact. energy: -0.938
local terms energy: -405.182498
where:
bonds (distance) C4'-P energy: -74.373
bonds (distance) P-C4' energy: -85.395
flat angles C4'-P-C4' energy: -89.744
flat angles P-C4'-P energy: -60.362
tors. eta vs tors. theta energy: -95.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -826.645748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.645748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.645748 (E_RNA)
where:
Base-Base interactions energy: -442.470
where: short stacking energy: -298.930
Base-Backbone interact. energy: -1.051
local terms energy: -383.125042
where:
bonds (distance) C4'-P energy: -72.944
bonds (distance) P-C4' energy: -94.440
flat angles C4'-P-C4' energy: -82.493
flat angles P-C4'-P energy: -60.019
tors. eta vs tors. theta energy: -73.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -666.271318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.271318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.271318 (E_RNA)
where:
Base-Base interactions energy: -314.201
where: short stacking energy: -207.186
Base-Backbone interact. energy: 2.534
local terms energy: -354.604619
where:
bonds (distance) C4'-P energy: -92.512
bonds (distance) P-C4' energy: -84.551
flat angles C4'-P-C4' energy: -81.223
flat angles P-C4'-P energy: -55.259
tors. eta vs tors. theta energy: -41.060
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: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -606.795977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.795977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.795977 (E_RNA)
where:
Base-Base interactions energy: -287.312
where: short stacking energy: -191.662
Base-Backbone interact. energy: 1.647
local terms energy: -321.131219
where:
bonds (distance) C4'-P energy: -71.105
bonds (distance) P-C4' energy: -78.600
flat angles C4'-P-C4' energy: -89.655
flat angles P-C4'-P energy: -54.463
tors. eta vs tors. theta energy: -27.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -463.247168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.247168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.247168 (E_RNA)
where:
Base-Base interactions energy: -164.329
where: short stacking energy: -148.755
Base-Backbone interact. energy: -2.009
local terms energy: -296.908847
where:
bonds (distance) C4'-P energy: -77.079
bonds (distance) P-C4' energy: -75.018
flat angles C4'-P-C4' energy: -78.417
flat angles P-C4'-P energy: -51.908
tors. eta vs tors. theta energy: -14.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -424.189693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.189693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.189693 (E_RNA)
where:
Base-Base interactions energy: -128.361
where: short stacking energy: -122.384
Base-Backbone interact. energy: -0.616
local terms energy: -295.213134
where:
bonds (distance) C4'-P energy: -74.918
bonds (distance) P-C4' energy: -97.001
flat angles C4'-P-C4' energy: -84.729
flat angles P-C4'-P energy: -49.261
tors. eta vs tors. theta energy: 10.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -367.050216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.050216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.050216 (E_RNA)
where:
Base-Base interactions energy: -116.349
where: short stacking energy: -101.218
Base-Backbone interact. energy: 0.845
local terms energy: -251.546154
where:
bonds (distance) C4'-P energy: -58.754
bonds (distance) P-C4' energy: -67.928
flat angles C4'-P-C4' energy: -73.008
flat angles P-C4'-P energy: -54.391
tors. eta vs tors. theta energy: 2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -351.310575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.310575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.310575 (E_RNA)
where:
Base-Base interactions energy: -117.347
where: short stacking energy: -89.583
Base-Backbone interact. energy: 4.849
local terms energy: -238.812740
where:
bonds (distance) C4'-P energy: -75.727
bonds (distance) P-C4' energy: -84.928
flat angles C4'-P-C4' energy: -66.977
flat angles P-C4'-P energy: -24.860
tors. eta vs tors. theta energy: 13.679
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1229.958057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.958057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.958057 (E_RNA)
where:
Base-Base interactions energy: -762.961
where: short stacking energy: -423.486
Base-Backbone interact. energy: -2.086
local terms energy: -464.910651
where:
bonds (distance) C4'-P energy: -89.251
bonds (distance) P-C4' energy: -93.794
flat angles C4'-P-C4' energy: -101.811
flat angles P-C4'-P energy: -65.562
tors. eta vs tors. theta energy: -114.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1034.365313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.365313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.365313 (E_RNA)
where:
Base-Base interactions energy: -600.027
where: short stacking energy: -367.285
Base-Backbone interact. energy: 0.332
local terms energy: -434.670243
where:
bonds (distance) C4'-P energy: -93.043
bonds (distance) P-C4' energy: -93.528
flat angles C4'-P-C4' energy: -96.352
flat angles P-C4'-P energy: -54.573
tors. eta vs tors. theta energy: -97.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -902.057907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.057907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.057907 (E_RNA)
where:
Base-Base interactions energy: -489.636
where: short stacking energy: -302.004
Base-Backbone interact. energy: 0.921
local terms energy: -413.342992
where:
bonds (distance) C4'-P energy: -96.495
bonds (distance) P-C4' energy: -91.029
flat angles C4'-P-C4' energy: -95.911
flat angles P-C4'-P energy: -53.474
tors. eta vs tors. theta energy: -76.434
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: 4, replica: 1
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -818.509965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.509965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.509965 (E_RNA)
where:
Base-Base interactions energy: -444.460
where: short stacking energy: -288.828
Base-Backbone interact. energy: -1.167
local terms energy: -372.882997
where:
bonds (distance) C4'-P energy: -61.553
bonds (distance) P-C4' energy: -104.800
flat angles C4'-P-C4' energy: -77.217
flat angles P-C4'-P energy: -61.803
tors. eta vs tors. theta energy: -67.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -647.740976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.740976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.740976 (E_RNA)
where:
Base-Base interactions energy: -290.144
where: short stacking energy: -206.838
Base-Backbone interact. energy: 1.443
local terms energy: -359.040109
where:
bonds (distance) C4'-P energy: -87.631
bonds (distance) P-C4' energy: -79.389
flat angles C4'-P-C4' energy: -89.722
flat angles P-C4'-P energy: -60.035
tors. eta vs tors. theta energy: -42.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -566.662066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.662066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.662066 (E_RNA)
where:
Base-Base interactions energy: -248.233
where: short stacking energy: -158.040
Base-Backbone interact. energy: -1.296
local terms energy: -317.132610
where:
bonds (distance) C4'-P energy: -78.657
bonds (distance) P-C4' energy: -90.784
flat angles C4'-P-C4' energy: -60.961
flat angles P-C4'-P energy: -65.305
tors. eta vs tors. theta energy: -21.426
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: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -434.413147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.413147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.413147 (E_RNA)
where:
Base-Base interactions energy: -137.190
where: short stacking energy: -125.358
Base-Backbone interact. energy: 1.823
local terms energy: -299.045890
where:
bonds (distance) C4'-P energy: -88.749
bonds (distance) P-C4' energy: -92.022
flat angles C4'-P-C4' energy: -73.013
flat angles P-C4'-P energy: -48.348
tors. eta vs tors. theta energy: 3.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -426.371103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.371103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.371103 (E_RNA)
where:
Base-Base interactions energy: -157.165
where: short stacking energy: -120.477
Base-Backbone interact. energy: 0.651
local terms energy: -269.856870
where:
bonds (distance) C4'-P energy: -72.208
bonds (distance) P-C4' energy: -86.358
flat angles C4'-P-C4' energy: -62.116
flat angles P-C4'-P energy: -46.484
tors. eta vs tors. theta energy: -2.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -383.757488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.757488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.757488 (E_RNA)
where:
Base-Base interactions energy: -120.304
where: short stacking energy: -105.651
Base-Backbone interact. energy: 0.589
local terms energy: -264.041685
where:
bonds (distance) C4'-P energy: -71.712
bonds (distance) P-C4' energy: -85.541
flat angles C4'-P-C4' energy: -65.685
flat angles P-C4'-P energy: -35.090
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -364.906806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.906806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.906806 (E_RNA)
where:
Base-Base interactions energy: -120.750
where: short stacking energy: -111.328
Base-Backbone interact. energy: 1.127
local terms energy: -245.284163
where:
bonds (distance) C4'-P energy: -69.270
bonds (distance) P-C4' energy: -85.423
flat angles C4'-P-C4' energy: -61.361
flat angles P-C4'-P energy: -38.360
tors. eta vs tors. theta energy: 9.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1215.047526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.047526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.047526 (E_RNA)
where:
Base-Base interactions energy: -734.973
where: short stacking energy: -415.138
Base-Backbone interact. energy: -2.580
local terms energy: -477.494571
where:
bonds (distance) C4'-P energy: -88.699
bonds (distance) P-C4' energy: -96.794
flat angles C4'-P-C4' energy: -105.065
flat angles P-C4'-P energy: -67.389
tors. eta vs tors. theta energy: -119.548
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: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1057.396094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.396094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.396094 (E_RNA)
where:
Base-Base interactions energy: -609.980
where: short stacking energy: -367.150
Base-Backbone interact. energy: 0.330
local terms energy: -447.746530
where:
bonds (distance) C4'-P energy: -89.959
bonds (distance) P-C4' energy: -90.682
flat angles C4'-P-C4' energy: -101.861
flat angles P-C4'-P energy: -63.953
tors. eta vs tors. theta energy: -101.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -963.820707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.820707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.820707 (E_RNA)
where:
Base-Base interactions energy: -545.304
where: short stacking energy: -345.383
Base-Backbone interact. energy: -2.444
local terms energy: -416.073604
where:
bonds (distance) C4'-P energy: -73.234
bonds (distance) P-C4' energy: -94.525
flat angles C4'-P-C4' energy: -93.240
flat angles P-C4'-P energy: -62.110
tors. eta vs tors. theta energy: -92.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -842.574656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.574656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.574656 (E_RNA)
where:
Base-Base interactions energy: -460.685
where: short stacking energy: -268.045
Base-Backbone interact. energy: -0.764
local terms energy: -381.126105
where:
bonds (distance) C4'-P energy: -79.149
bonds (distance) P-C4' energy: -86.177
flat angles C4'-P-C4' energy: -98.276
flat angles P-C4'-P energy: -53.152
tors. eta vs tors. theta energy: -64.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -731.448172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.448172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.448172 (E_RNA)
where:
Base-Base interactions energy: -385.401
where: short stacking energy: -235.886
Base-Backbone interact. energy: 1.500
local terms energy: -347.547499
where:
bonds (distance) C4'-P energy: -89.526
bonds (distance) P-C4' energy: -80.391
flat angles C4'-P-C4' energy: -81.016
flat angles P-C4'-P energy: -56.516
tors. eta vs tors. theta energy: -40.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -572.699896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.699896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.699896 (E_RNA)
where:
Base-Base interactions energy: -262.775
where: short stacking energy: -193.249
Base-Backbone interact. energy: 1.107
local terms energy: -311.032784
where:
bonds (distance) C4'-P energy: -76.498
bonds (distance) P-C4' energy: -84.081
flat angles C4'-P-C4' energy: -83.096
flat angles P-C4'-P energy: -49.021
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -480.675594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.675594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.675594 (E_RNA)
where:
Base-Base interactions energy: -181.301
where: short stacking energy: -162.635
Base-Backbone interact. energy: -0.814
local terms energy: -298.560464
where:
bonds (distance) C4'-P energy: -72.432
bonds (distance) P-C4' energy: -86.872
flat angles C4'-P-C4' energy: -78.452
flat angles P-C4'-P energy: -33.039
tors. eta vs tors. theta energy: -27.766
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: 8, replica: 5
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -404.187344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.187344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.187344 (E_RNA)
where:
Base-Base interactions energy: -137.752
where: short stacking energy: -131.736
Base-Backbone interact. energy: 1.263
local terms energy: -267.698204
where:
bonds (distance) C4'-P energy: -71.298
bonds (distance) P-C4' energy: -83.679
flat angles C4'-P-C4' energy: -70.516
flat angles P-C4'-P energy: -48.359
tors. eta vs tors. theta energy: 6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -381.555793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.555793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.555793 (E_RNA)
where:
Base-Base interactions energy: -129.481
where: short stacking energy: -112.048
Base-Backbone interact. energy: 6.480
local terms energy: -258.554157
where:
bonds (distance) C4'-P energy: -82.361
bonds (distance) P-C4' energy: -77.418
flat angles C4'-P-C4' energy: -65.087
flat angles P-C4'-P energy: -50.014
tors. eta vs tors. theta energy: 16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -344.052744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.052744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.052744 (E_RNA)
where:
Base-Base interactions energy: -90.380
where: short stacking energy: -82.527
Base-Backbone interact. energy: 0.631
local terms energy: -254.303366
where:
bonds (distance) C4'-P energy: -68.892
bonds (distance) P-C4' energy: -78.547
flat angles C4'-P-C4' energy: -69.311
flat angles P-C4'-P energy: -39.414
tors. eta vs tors. theta energy: 1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1213.554932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.554932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.554932 (E_RNA)
where:
Base-Base interactions energy: -718.145
where: short stacking energy: -408.215
Base-Backbone interact. energy: -2.774
local terms energy: -492.635327
where:
bonds (distance) C4'-P energy: -98.207
bonds (distance) P-C4' energy: -97.480
flat angles C4'-P-C4' energy: -115.240
flat angles P-C4'-P energy: -64.677
tors. eta vs tors. theta energy: -117.031
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: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1053.455258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.455258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.455258 (E_RNA)
where:
Base-Base interactions energy: -607.003
where: short stacking energy: -360.510
Base-Backbone interact. energy: -1.824
local terms energy: -444.627700
where:
bonds (distance) C4'-P energy: -79.032
bonds (distance) P-C4' energy: -92.246
flat angles C4'-P-C4' energy: -104.495
flat angles P-C4'-P energy: -64.376
tors. eta vs tors. theta energy: -104.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -914.290569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.290569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.290569 (E_RNA)
where:
Base-Base interactions energy: -497.118
where: short stacking energy: -308.579
Base-Backbone interact. energy: -1.969
local terms energy: -415.203823
where:
bonds (distance) C4'-P energy: -84.543
bonds (distance) P-C4' energy: -91.538
flat angles C4'-P-C4' energy: -90.166
flat angles P-C4'-P energy: -62.075
tors. eta vs tors. theta energy: -86.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -859.033193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.033193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.033193 (E_RNA)
where:
Base-Base interactions energy: -454.915
where: short stacking energy: -284.527
Base-Backbone interact. energy: -1.000
local terms energy: -403.118173
where:
bonds (distance) C4'-P energy: -84.245
bonds (distance) P-C4' energy: -86.130
flat angles C4'-P-C4' energy: -102.814
flat angles P-C4'-P energy: -57.635
tors. eta vs tors. theta energy: -72.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -729.538850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.538850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.538850 (E_RNA)
where:
Base-Base interactions energy: -375.908
where: short stacking energy: -238.820
Base-Backbone interact. energy: -1.542
local terms energy: -352.089306
where:
bonds (distance) C4'-P energy: -83.714
bonds (distance) P-C4' energy: -84.027
flat angles C4'-P-C4' energy: -86.787
flat angles P-C4'-P energy: -42.551
tors. eta vs tors. theta energy: -55.010
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: 7
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -546.595884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.595884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.595884 (E_RNA)
where:
Base-Base interactions energy: -238.700
where: short stacking energy: -154.727
Base-Backbone interact. energy: 0.427
local terms energy: -308.322843
where:
bonds (distance) C4'-P energy: -76.414
bonds (distance) P-C4' energy: -90.078
flat angles C4'-P-C4' energy: -80.232
flat angles P-C4'-P energy: -48.693
tors. eta vs tors. theta energy: -12.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -439.495125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.495125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.495125 (E_RNA)
where:
Base-Base interactions energy: -139.854
where: short stacking energy: -126.676
Base-Backbone interact. energy: -0.524
local terms energy: -299.117104
where:
bonds (distance) C4'-P energy: -71.860
bonds (distance) P-C4' energy: -84.167
flat angles C4'-P-C4' energy: -71.068
flat angles P-C4'-P energy: -59.797
tors. eta vs tors. theta energy: -12.224
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: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -418.959050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.959050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.959050 (E_RNA)
where:
Base-Base interactions energy: -124.238
where: short stacking energy: -108.226
Base-Backbone interact. energy: -0.919
local terms energy: -293.802093
where:
bonds (distance) C4'-P energy: -79.419
bonds (distance) P-C4' energy: -78.741
flat angles C4'-P-C4' energy: -77.151
flat angles P-C4'-P energy: -60.150
tors. eta vs tors. theta energy: 1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -372.142943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.142943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.142943 (E_RNA)
where:
Base-Base interactions energy: -106.058
where: short stacking energy: -96.839
Base-Backbone interact. energy: -0.762
local terms energy: -265.323161
where:
bonds (distance) C4'-P energy: -68.642
bonds (distance) P-C4' energy: -80.158
flat angles C4'-P-C4' energy: -65.195
flat angles P-C4'-P energy: -55.254
tors. eta vs tors. theta energy: 3.926
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: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -351.707561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.707561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.707561 (E_RNA)
where:
Base-Base interactions energy: -121.587
where: short stacking energy: -109.055
Base-Backbone interact. energy: -2.150
local terms energy: -227.970572
where:
bonds (distance) C4'-P energy: -72.723
bonds (distance) P-C4' energy: -63.586
flat angles C4'-P-C4' energy: -63.270
flat angles P-C4'-P energy: -34.990
tors. eta vs tors. theta energy: 6.599
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1246.002934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.002934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.002934 (E_RNA)
where:
Base-Base interactions energy: -759.432
where: short stacking energy: -391.506
Base-Backbone interact. energy: -1.208
local terms energy: -485.362827
where:
bonds (distance) C4'-P energy: -93.360
bonds (distance) P-C4' energy: -102.160
flat angles C4'-P-C4' energy: -101.888
flat angles P-C4'-P energy: -76.246
tors. eta vs tors. theta energy: -111.708
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: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1071.291595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.291595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.291595 (E_RNA)
where:
Base-Base interactions energy: -592.488
where: short stacking energy: -372.086
Base-Backbone interact. energy: 0.988
local terms energy: -479.791733
where:
bonds (distance) C4'-P energy: -102.174
bonds (distance) P-C4' energy: -97.376
flat angles C4'-P-C4' energy: -103.413
flat angles P-C4'-P energy: -60.626
tors. eta vs tors. theta energy: -116.203
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: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -883.765369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.765369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.765369 (E_RNA)
where:
Base-Base interactions energy: -479.502
where: short stacking energy: -299.450
Base-Backbone interact. energy: 0.225
local terms energy: -404.487648
where:
bonds (distance) C4'-P energy: -83.754
bonds (distance) P-C4' energy: -90.281
flat angles C4'-P-C4' energy: -93.757
flat angles P-C4'-P energy: -68.743
tors. eta vs tors. theta energy: -67.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -806.134971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.134971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.134971 (E_RNA)
where:
Base-Base interactions energy: -417.722
where: short stacking energy: -276.469
Base-Backbone interact. energy: 0.948
local terms energy: -389.360798
where:
bonds (distance) C4'-P energy: -81.263
bonds (distance) P-C4' energy: -90.500
flat angles C4'-P-C4' energy: -97.025
flat angles P-C4'-P energy: -56.817
tors. eta vs tors. theta energy: -63.756
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: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -784.684990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.684990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.684990 (E_RNA)
where:
Base-Base interactions energy: -404.208
where: short stacking energy: -253.296
Base-Backbone interact. energy: -0.762
local terms energy: -379.715451
where:
bonds (distance) C4'-P energy: -87.764
bonds (distance) P-C4' energy: -89.741
flat angles C4'-P-C4' energy: -90.884
flat angles P-C4'-P energy: -49.436
tors. eta vs tors. theta energy: -61.890
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: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -551.181476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.181476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.181476 (E_RNA)
where:
Base-Base interactions energy: -234.717
where: short stacking energy: -191.151
Base-Backbone interact. energy: -0.553
local terms energy: -315.911303
where:
bonds (distance) C4'-P energy: -76.786
bonds (distance) P-C4' energy: -88.539
flat angles C4'-P-C4' energy: -81.906
flat angles P-C4'-P energy: -45.768
tors. eta vs tors. theta energy: -22.912
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: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -470.310965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.310965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.310965 (E_RNA)
where:
Base-Base interactions energy: -182.438
where: short stacking energy: -175.379
Base-Backbone interact. energy: 4.111
local terms energy: -291.983990
where:
bonds (distance) C4'-P energy: -70.573
bonds (distance) P-C4' energy: -85.360
flat angles C4'-P-C4' energy: -76.276
flat angles P-C4'-P energy: -38.926
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -438.675843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.675843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.675843 (E_RNA)
where:
Base-Base interactions energy: -185.062
where: short stacking energy: -142.994
Base-Backbone interact. energy: 6.104
local terms energy: -259.718553
where:
bonds (distance) C4'-P energy: -74.656
bonds (distance) P-C4' energy: -74.717
flat angles C4'-P-C4' energy: -71.099
flat angles P-C4'-P energy: -38.020
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -378.262633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.262633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.262633 (E_RNA)
where:
Base-Base interactions energy: -127.210
where: short stacking energy: -123.389
Base-Backbone interact. energy: -0.246
local terms energy: -250.807197
where:
bonds (distance) C4'-P energy: -63.661
bonds (distance) P-C4' energy: -91.665
flat angles C4'-P-C4' energy: -71.986
flat angles P-C4'-P energy: -32.678
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: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -407.169123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.169123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.169123 (E_RNA)
where:
Base-Base interactions energy: -133.523
where: short stacking energy: -117.554
Base-Backbone interact. energy: -1.804
local terms energy: -271.841773
where:
bonds (distance) C4'-P energy: -74.460
bonds (distance) P-C4' energy: -80.232
flat angles C4'-P-C4' energy: -77.228
flat angles P-C4'-P energy: -39.510
tors. eta vs tors. theta energy: -0.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1240.107128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.107128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.107128 (E_RNA)
where:
Base-Base interactions energy: -778.169
where: short stacking energy: -409.426
Base-Backbone interact. energy: -2.260
local terms energy: -459.677467
where:
bonds (distance) C4'-P energy: -91.430
bonds (distance) P-C4' energy: -87.786
flat angles C4'-P-C4' energy: -103.759
flat angles P-C4'-P energy: -64.141
tors. eta vs tors. theta energy: -112.561
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: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1064.176214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.176214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.176214 (E_RNA)
where:
Base-Base interactions energy: -623.907
where: short stacking energy: -399.755
Base-Backbone interact. energy: 0.963
local terms energy: -441.232483
where:
bonds (distance) C4'-P energy: -88.181
bonds (distance) P-C4' energy: -88.962
flat angles C4'-P-C4' energy: -99.948
flat angles P-C4'-P energy: -46.669
tors. eta vs tors. theta energy: -117.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -874.628252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.628252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.628252 (E_RNA)
where:
Base-Base interactions energy: -458.518
where: short stacking energy: -292.091
Base-Backbone interact. energy: 1.074
local terms energy: -417.183776
where:
bonds (distance) C4'-P energy: -96.239
bonds (distance) P-C4' energy: -94.833
flat angles C4'-P-C4' energy: -88.715
flat angles P-C4'-P energy: -58.393
tors. eta vs tors. theta energy: -79.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -867.904092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.904092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.904092 (E_RNA)
where:
Base-Base interactions energy: -474.295
where: short stacking energy: -287.425
Base-Backbone interact. energy: -0.044
local terms energy: -393.564991
where:
bonds (distance) C4'-P energy: -85.660
bonds (distance) P-C4' energy: -83.137
flat angles C4'-P-C4' energy: -96.254
flat angles P-C4'-P energy: -49.798
tors. eta vs tors. theta energy: -78.716
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: 2
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -807.684037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.684037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.684037 (E_RNA)
where:
Base-Base interactions energy: -435.529
where: short stacking energy: -269.146
Base-Backbone interact. energy: -1.510
local terms energy: -370.645518
where:
bonds (distance) C4'-P energy: -75.361
bonds (distance) P-C4' energy: -80.451
flat angles C4'-P-C4' energy: -83.321
flat angles P-C4'-P energy: -63.415
tors. eta vs tors. theta energy: -68.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -531.367185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.367185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.367185 (E_RNA)
where:
Base-Base interactions energy: -227.296
where: short stacking energy: -167.477
Base-Backbone interact. energy: 0.127
local terms energy: -304.198523
where:
bonds (distance) C4'-P energy: -74.881
bonds (distance) P-C4' energy: -88.152
flat angles C4'-P-C4' energy: -77.236
flat angles P-C4'-P energy: -57.437
tors. eta vs tors. theta energy: -6.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -475.025344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.025344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.025344 (E_RNA)
where:
Base-Base interactions energy: -190.262
where: short stacking energy: -166.287
Base-Backbone interact. energy: -1.444
local terms energy: -283.319120
where:
bonds (distance) C4'-P energy: -63.758
bonds (distance) P-C4' energy: -87.239
flat angles C4'-P-C4' energy: -78.339
flat angles P-C4'-P energy: -51.904
tors. eta vs tors. theta energy: -2.080
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: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -429.897652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.897652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.897652 (E_RNA)
where:
Base-Base interactions energy: -143.347
where: short stacking energy: -122.897
Base-Backbone interact. energy: -1.131
local terms energy: -285.420183
where:
bonds (distance) C4'-P energy: -78.278
bonds (distance) P-C4' energy: -69.724
flat angles C4'-P-C4' energy: -83.627
flat angles P-C4'-P energy: -41.546
tors. eta vs tors. theta energy: -12.245
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: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -374.017496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.017496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.017496 (E_RNA)
where:
Base-Base interactions energy: -123.664
where: short stacking energy: -108.535
Base-Backbone interact. energy: -0.861
local terms energy: -249.492672
where:
bonds (distance) C4'-P energy: -76.279
bonds (distance) P-C4' energy: -77.273
flat angles C4'-P-C4' energy: -66.753
flat angles P-C4'-P energy: -39.422
tors. eta vs tors. theta energy: 10.234
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: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -354.226193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.226193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.226193 (E_RNA)
where:
Base-Base interactions energy: -117.420
where: short stacking energy: -111.006
Base-Backbone interact. energy: -0.604
local terms energy: -236.202003
where:
bonds (distance) C4'-P energy: -78.676
bonds (distance) P-C4' energy: -71.631
flat angles C4'-P-C4' energy: -43.308
flat angles P-C4'-P energy: -42.567
tors. eta vs tors. theta energy: -0.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1214.526238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.526238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.526238 (E_RNA)
where:
Base-Base interactions energy: -744.154
where: short stacking energy: -399.629
Base-Backbone interact. energy: -3.420
local terms energy: -466.952121
where:
bonds (distance) C4'-P energy: -86.184
bonds (distance) P-C4' energy: -95.816
flat angles C4'-P-C4' energy: -94.626
flat angles P-C4'-P energy: -74.229
tors. eta vs tors. theta energy: -116.098
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: 8
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1064.330153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.330153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.330153 (E_RNA)
where:
Base-Base interactions energy: -604.238
where: short stacking energy: -362.353
Base-Backbone interact. energy: -1.514
local terms energy: -458.578335
where:
bonds (distance) C4'-P energy: -85.165
bonds (distance) P-C4' energy: -96.777
flat angles C4'-P-C4' energy: -103.508
flat angles P-C4'-P energy: -72.279
tors. eta vs tors. theta energy: -100.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -906.203657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.203657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.203657 (E_RNA)
where:
Base-Base interactions energy: -489.160
where: short stacking energy: -317.308
Base-Backbone interact. energy: -0.327
local terms energy: -416.717488
where:
bonds (distance) C4'-P energy: -85.412
bonds (distance) P-C4' energy: -87.810
flat angles C4'-P-C4' energy: -97.692
flat angles P-C4'-P energy: -57.116
tors. eta vs tors. theta energy: -88.687
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: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -802.691678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.691678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.691678 (E_RNA)
where:
Base-Base interactions energy: -430.907
where: short stacking energy: -260.537
Base-Backbone interact. energy: 0.349
local terms energy: -372.134035
where:
bonds (distance) C4'-P energy: -78.314
bonds (distance) P-C4' energy: -84.094
flat angles C4'-P-C4' energy: -90.858
flat angles P-C4'-P energy: -59.638
tors. eta vs tors. theta energy: -59.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -775.133193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.133193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.133193 (E_RNA)
where:
Base-Base interactions energy: -415.584
where: short stacking energy: -237.079
Base-Backbone interact. energy: 1.768
local terms energy: -361.317865
where:
bonds (distance) C4'-P energy: -82.173
bonds (distance) P-C4' energy: -83.672
flat angles C4'-P-C4' energy: -74.003
flat angles P-C4'-P energy: -67.347
tors. eta vs tors. theta energy: -54.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -565.175694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.175694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.175694 (E_RNA)
where:
Base-Base interactions energy: -251.835
where: short stacking energy: -178.775
Base-Backbone interact. energy: -0.718
local terms energy: -312.622671
where:
bonds (distance) C4'-P energy: -88.516
bonds (distance) P-C4' energy: -75.296
flat angles C4'-P-C4' energy: -85.818
flat angles P-C4'-P energy: -50.089
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: 7, replica: 5
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -460.749293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.749293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.749293 (E_RNA)
where:
Base-Base interactions energy: -167.765
where: short stacking energy: -147.790
Base-Backbone interact. energy: -1.343
local terms energy: -291.641040
where:
bonds (distance) C4'-P energy: -96.266
bonds (distance) P-C4' energy: -84.912
flat angles C4'-P-C4' energy: -60.648
flat angles P-C4'-P energy: -42.226
tors. eta vs tors. theta energy: -7.589
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: 8, replica: 6
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -422.464781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.464781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.464781 (E_RNA)
where:
Base-Base interactions energy: -167.933
where: short stacking energy: -123.635
Base-Backbone interact. energy: 0.345
local terms energy: -254.876917
where:
bonds (distance) C4'-P energy: -74.302
bonds (distance) P-C4' energy: -67.060
flat angles C4'-P-C4' energy: -72.976
flat angles P-C4'-P energy: -35.063
tors. eta vs tors. theta energy: -5.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -386.543343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.543343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.543343 (E_RNA)
where:
Base-Base interactions energy: -136.992
where: short stacking energy: -125.200
Base-Backbone interact. energy: 0.130
local terms energy: -249.681303
where:
bonds (distance) C4'-P energy: -78.388
bonds (distance) P-C4' energy: -60.694
flat angles C4'-P-C4' energy: -72.009
flat angles P-C4'-P energy: -41.324
tors. eta vs tors. theta energy: 2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -361.385407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.385407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.385407 (E_RNA)
where:
Base-Base interactions energy: -125.569
where: short stacking energy: -115.777
Base-Backbone interact. energy: 2.329
local terms energy: -238.145072
where:
bonds (distance) C4'-P energy: -65.181
bonds (distance) P-C4' energy: -81.053
flat angles C4'-P-C4' energy: -66.724
flat angles P-C4'-P energy: -27.021
tors. eta vs tors. theta energy: 1.834
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1223.419193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.419193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.419193 (E_RNA)
where:
Base-Base interactions energy: -757.078
where: short stacking energy: -377.878
Base-Backbone interact. energy: -4.214
local terms energy: -462.127766
where:
bonds (distance) C4'-P energy: -88.069
bonds (distance) P-C4' energy: -97.342
flat angles C4'-P-C4' energy: -93.823
flat angles P-C4'-P energy: -71.734
tors. eta vs tors. theta energy: -111.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1064.809212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.809212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.809212 (E_RNA)
where:
Base-Base interactions energy: -610.511
where: short stacking energy: -391.992
Base-Backbone interact. energy: 1.643
local terms energy: -455.941821
where:
bonds (distance) C4'-P energy: -89.932
bonds (distance) P-C4' energy: -87.918
flat angles C4'-P-C4' energy: -87.325
flat angles P-C4'-P energy: -75.146
tors. eta vs tors. theta energy: -115.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -938.600356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.600356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.600356 (E_RNA)
where:
Base-Base interactions energy: -510.184
where: short stacking energy: -335.137
Base-Backbone interact. energy: 2.048
local terms energy: -430.463676
where:
bonds (distance) C4'-P energy: -79.594
bonds (distance) P-C4' energy: -101.090
flat angles C4'-P-C4' energy: -94.765
flat angles P-C4'-P energy: -63.405
tors. eta vs tors. theta energy: -91.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -760.657734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.657734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.657734 (E_RNA)
where:
Base-Base interactions energy: -400.981
where: short stacking energy: -260.957
Base-Backbone interact. energy: 1.304
local terms energy: -360.980023
where:
bonds (distance) C4'-P energy: -78.904
bonds (distance) P-C4' energy: -100.017
flat angles C4'-P-C4' energy: -70.836
flat angles P-C4'-P energy: -58.770
tors. eta vs tors. theta energy: -52.452
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: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -744.269838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.269838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.269838 (E_RNA)
where:
Base-Base interactions energy: -381.210
where: short stacking energy: -199.426
Base-Backbone interact. energy: 1.469
local terms energy: -364.528485
where:
bonds (distance) C4'-P energy: -93.333
bonds (distance) P-C4' energy: -85.324
flat angles C4'-P-C4' energy: -94.179
flat angles P-C4'-P energy: -63.021
tors. eta vs tors. theta energy: -28.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -642.620155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.620155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.620155 (E_RNA)
where:
Base-Base interactions energy: -324.172
where: short stacking energy: -212.232
Base-Backbone interact. energy: 3.301
local terms energy: -321.749051
where:
bonds (distance) C4'-P energy: -76.902
bonds (distance) P-C4' energy: -82.554
flat angles C4'-P-C4' energy: -83.970
flat angles P-C4'-P energy: -41.950
tors. eta vs tors. theta energy: -36.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -476.050055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.050055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.050055 (E_RNA)
where:
Base-Base interactions energy: -170.728
where: short stacking energy: -152.575
Base-Backbone interact. energy: -0.963
local terms energy: -304.359188
where:
bonds (distance) C4'-P energy: -89.643
bonds (distance) P-C4' energy: -77.523
flat angles C4'-P-C4' energy: -70.874
flat angles P-C4'-P energy: -47.022
tors. eta vs tors. theta energy: -19.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -406.253509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.253509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.253509 (E_RNA)
where:
Base-Base interactions energy: -145.793
where: short stacking energy: -114.976
Base-Backbone interact. energy: 3.056
local terms energy: -263.515721
where:
bonds (distance) C4'-P energy: -74.704
bonds (distance) P-C4' energy: -76.764
flat angles C4'-P-C4' energy: -60.927
flat angles P-C4'-P energy: -46.990
tors. eta vs tors. theta energy: -4.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -401.939795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.939795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.939795 (E_RNA)
where:
Base-Base interactions energy: -145.177
where: short stacking energy: -125.716
Base-Backbone interact. energy: 1.329
local terms energy: -258.092007
where:
bonds (distance) C4'-P energy: -74.854
bonds (distance) P-C4' energy: -81.824
flat angles C4'-P-C4' energy: -62.877
flat angles P-C4'-P energy: -37.377
tors. eta vs tors. theta energy: -1.160
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: 10, replica: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -386.941874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.941874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.941874 (E_RNA)
where:
Base-Base interactions energy: -128.628
where: short stacking energy: -109.082
Base-Backbone interact. energy: 0.126
local terms energy: -258.439438
where:
bonds (distance) C4'-P energy: -72.617
bonds (distance) P-C4' energy: -82.525
flat angles C4'-P-C4' energy: -67.179
flat angles P-C4'-P energy: -40.693
tors. eta vs tors. theta energy: 4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1185.690741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.690741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.690741 (E_RNA)
where:
Base-Base interactions energy: -709.860
where: short stacking energy: -395.757
Base-Backbone interact. energy: -4.774
local terms energy: -471.056332
where:
bonds (distance) C4'-P energy: -96.180
bonds (distance) P-C4' energy: -87.143
flat angles C4'-P-C4' energy: -106.014
flat angles P-C4'-P energy: -65.835
tors. eta vs tors. theta energy: -115.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1095.992139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.992139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.992139 (E_RNA)
where:
Base-Base interactions energy: -619.739
where: short stacking energy: -402.736
Base-Backbone interact. energy: -1.764
local terms energy: -474.489984
where:
bonds (distance) C4'-P energy: -89.564
bonds (distance) P-C4' energy: -92.890
flat angles C4'-P-C4' energy: -112.111
flat angles P-C4'-P energy: -62.799
tors. eta vs tors. theta energy: -117.125
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: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -916.721625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.721625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.721625 (E_RNA)
where:
Base-Base interactions energy: -510.998
where: short stacking energy: -346.579
Base-Backbone interact. energy: -1.699
local terms energy: -404.025051
where:
bonds (distance) C4'-P energy: -80.725
bonds (distance) P-C4' energy: -78.874
flat angles C4'-P-C4' energy: -94.244
flat angles P-C4'-P energy: -45.125
tors. eta vs tors. theta energy: -105.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -790.186217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.186217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.186217 (E_RNA)
where:
Base-Base interactions energy: -426.332
where: short stacking energy: -248.115
Base-Backbone interact. energy: 3.917
local terms energy: -367.770903
where:
bonds (distance) C4'-P energy: -80.273
bonds (distance) P-C4' energy: -90.743
flat angles C4'-P-C4' energy: -91.049
flat angles P-C4'-P energy: -49.644
tors. eta vs tors. theta energy: -56.062
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: 2
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -727.782891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.782891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.782891 (E_RNA)
where:
Base-Base interactions energy: -388.123
where: short stacking energy: -225.688
Base-Backbone interact. energy: 4.667
local terms energy: -344.326868
where:
bonds (distance) C4'-P energy: -73.240
bonds (distance) P-C4' energy: -94.062
flat angles C4'-P-C4' energy: -84.596
flat angles P-C4'-P energy: -49.671
tors. eta vs tors. theta energy: -42.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -610.895175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.895175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.895175 (E_RNA)
where:
Base-Base interactions energy: -293.528
where: short stacking energy: -192.908
Base-Backbone interact. energy: 0.558
local terms energy: -317.925164
where:
bonds (distance) C4'-P energy: -75.662
bonds (distance) P-C4' energy: -94.897
flat angles C4'-P-C4' energy: -78.445
flat angles P-C4'-P energy: -41.897
tors. eta vs tors. theta energy: -27.024
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: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -456.124265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.124265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.124265 (E_RNA)
where:
Base-Base interactions energy: -150.277
where: short stacking energy: -124.193
Base-Backbone interact. energy: -0.186
local terms energy: -305.661597
where:
bonds (distance) C4'-P energy: -79.255
bonds (distance) P-C4' energy: -83.311
flat angles C4'-P-C4' energy: -76.854
flat angles P-C4'-P energy: -57.223
tors. eta vs tors. theta energy: -9.018
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: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -409.316425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.316425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.316425 (E_RNA)
where:
Base-Base interactions energy: -139.682
where: short stacking energy: -129.850
Base-Backbone interact. energy: 1.269
local terms energy: -270.904093
where:
bonds (distance) C4'-P energy: -87.089
bonds (distance) P-C4' energy: -76.913
flat angles C4'-P-C4' energy: -60.413
flat angles P-C4'-P energy: -43.998
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: 9, replica: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -370.561543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.561543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.561543 (E_RNA)
where:
Base-Base interactions energy: -122.013
where: short stacking energy: -100.291
Base-Backbone interact. energy: 2.954
local terms energy: -251.501961
where:
bonds (distance) C4'-P energy: -73.141
bonds (distance) P-C4' energy: -82.801
flat angles C4'-P-C4' energy: -51.734
flat angles P-C4'-P energy: -44.655
tors. eta vs tors. theta energy: 0.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -343.011816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.011816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.011816 (E_RNA)
where:
Base-Base interactions energy: -109.408
where: short stacking energy: -87.794
Base-Backbone interact. energy: -0.823
local terms energy: -232.780919
where:
bonds (distance) C4'-P energy: -64.124
bonds (distance) P-C4' energy: -70.658
flat angles C4'-P-C4' energy: -78.180
flat angles P-C4'-P energy: -35.452
tors. eta vs tors. theta energy: 15.633
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1186.616929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.616929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.616929 (E_RNA)
where:
Base-Base interactions energy: -730.317
where: short stacking energy: -412.781
Base-Backbone interact. energy: 1.149
local terms energy: -457.449040
where:
bonds (distance) C4'-P energy: -97.849
bonds (distance) P-C4' energy: -86.336
flat angles C4'-P-C4' energy: -98.272
flat angles P-C4'-P energy: -61.105
tors. eta vs tors. theta energy: -113.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1076.091104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.091104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.091104 (E_RNA)
where:
Base-Base interactions energy: -614.781
where: short stacking energy: -386.523
Base-Backbone interact. energy: -1.445
local terms energy: -459.865241
where:
bonds (distance) C4'-P energy: -90.455
bonds (distance) P-C4' energy: -86.445
flat angles C4'-P-C4' energy: -99.889
flat angles P-C4'-P energy: -69.743
tors. eta vs tors. theta energy: -113.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -858.147031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.147031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.147031 (E_RNA)
where:
Base-Base interactions energy: -451.800
where: short stacking energy: -297.669
Base-Backbone interact. energy: -0.276
local terms energy: -406.071146
where:
bonds (distance) C4'-P energy: -88.583
bonds (distance) P-C4' energy: -94.139
flat angles C4'-P-C4' energy: -84.646
flat angles P-C4'-P energy: -54.946
tors. eta vs tors. theta energy: -83.757
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: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -839.206376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.206376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.206376 (E_RNA)
where:
Base-Base interactions energy: -483.962
where: short stacking energy: -298.294
Base-Backbone interact. energy: 0.458
local terms energy: -355.702192
where:
bonds (distance) C4'-P energy: -78.411
bonds (distance) P-C4' energy: -88.714
flat angles C4'-P-C4' energy: -91.291
flat angles P-C4'-P energy: -19.962
tors. eta vs tors. theta energy: -77.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -706.826142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.826142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.826142 (E_RNA)
where:
Base-Base interactions energy: -339.163
where: short stacking energy: -243.964
Base-Backbone interact. energy: -1.291
local terms energy: -366.371890
where:
bonds (distance) C4'-P energy: -81.300
bonds (distance) P-C4' energy: -86.299
flat angles C4'-P-C4' energy: -85.084
flat angles P-C4'-P energy: -51.785
tors. eta vs tors. theta energy: -61.904
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: 150
Temperature: 1.150000
Total energy: -584.480038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.480038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.480038 (E_RNA)
where:
Base-Base interactions energy: -271.027
where: short stacking energy: -196.308
Base-Backbone interact. energy: 0.433
local terms energy: -313.885545
where:
bonds (distance) C4'-P energy: -81.211
bonds (distance) P-C4' energy: -77.748
flat angles C4'-P-C4' energy: -71.121
flat angles P-C4'-P energy: -56.309
tors. eta vs tors. theta energy: -27.497
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: 6
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -499.723315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.723315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.723315 (E_RNA)
where:
Base-Base interactions energy: -192.735
where: short stacking energy: -174.700
Base-Backbone interact. energy: -0.957
local terms energy: -306.032058
where:
bonds (distance) C4'-P energy: -82.515
bonds (distance) P-C4' energy: -89.362
flat angles C4'-P-C4' energy: -70.600
flat angles P-C4'-P energy: -51.076
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -407.482169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.482169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.482169 (E_RNA)
where:
Base-Base interactions energy: -137.452
where: short stacking energy: -126.463
Base-Backbone interact. energy: 1.211
local terms energy: -271.241122
where:
bonds (distance) C4'-P energy: -70.337
bonds (distance) P-C4' energy: -83.170
flat angles C4'-P-C4' energy: -81.239
flat angles P-C4'-P energy: -46.663
tors. eta vs tors. theta energy: 10.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -382.979264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.979264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.979264 (E_RNA)
where:
Base-Base interactions energy: -127.768
where: short stacking energy: -112.505
Base-Backbone interact. energy: 0.529
local terms energy: -255.739673
where:
bonds (distance) C4'-P energy: -72.987
bonds (distance) P-C4' energy: -72.674
flat angles C4'-P-C4' energy: -76.604
flat angles P-C4'-P energy: -36.445
tors. eta vs tors. theta energy: 2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -340.649578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.649578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.649578 (E_RNA)
where:
Base-Base interactions energy: -106.690
where: short stacking energy: -101.984
Base-Backbone interact. energy: -1.774
local terms energy: -232.185138
where:
bonds (distance) C4'-P energy: -76.578
bonds (distance) P-C4' energy: -84.400
flat angles C4'-P-C4' energy: -72.079
flat angles P-C4'-P energy: -18.528
tors. eta vs tors. theta energy: 19.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1180.822499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.822499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.822499 (E_RNA)
where:
Base-Base interactions energy: -705.913
where: short stacking energy: -398.736
Base-Backbone interact. energy: -2.308
local terms energy: -472.601067
where:
bonds (distance) C4'-P energy: -96.662
bonds (distance) P-C4' energy: -94.527
flat angles C4'-P-C4' energy: -107.154
flat angles P-C4'-P energy: -67.653
tors. eta vs tors. theta energy: -106.606
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: 8
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1051.046491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.046491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.046491 (E_RNA)
where:
Base-Base interactions energy: -600.263
where: short stacking energy: -374.416
Base-Backbone interact. energy: -0.707
local terms energy: -450.076584
where:
bonds (distance) C4'-P energy: -92.368
bonds (distance) P-C4' energy: -91.637
flat angles C4'-P-C4' energy: -101.242
flat angles P-C4'-P energy: -61.037
tors. eta vs tors. theta energy: -103.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -849.596390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.596390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.596390 (E_RNA)
where:
Base-Base interactions energy: -457.200
where: short stacking energy: -298.710
Base-Backbone interact. energy: -1.019
local terms energy: -391.376883
where:
bonds (distance) C4'-P energy: -86.405
bonds (distance) P-C4' energy: -88.755
flat angles C4'-P-C4' energy: -89.397
flat angles P-C4'-P energy: -57.216
tors. eta vs tors. theta energy: -69.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -815.138639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.138639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.138639 (E_RNA)
where:
Base-Base interactions energy: -441.855
where: short stacking energy: -275.236
Base-Backbone interact. energy: -1.491
local terms energy: -371.792170
where:
bonds (distance) C4'-P energy: -80.612
bonds (distance) P-C4' energy: -83.051
flat angles C4'-P-C4' energy: -93.637
flat angles P-C4'-P energy: -39.756
tors. eta vs tors. theta energy: -74.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -704.483568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.483568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.483568 (E_RNA)
where:
Base-Base interactions energy: -345.076
where: short stacking energy: -233.002
Base-Backbone interact. energy: 0.453
local terms energy: -359.860909
where:
bonds (distance) C4'-P energy: -82.031
bonds (distance) P-C4' energy: -94.370
flat angles C4'-P-C4' energy: -86.461
flat angles P-C4'-P energy: -47.056
tors. eta vs tors. theta energy: -49.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -615.556823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.556823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.556823 (E_RNA)
where:
Base-Base interactions energy: -305.596
where: short stacking energy: -206.565
Base-Backbone interact. energy: 0.047
local terms energy: -310.007628
where:
bonds (distance) C4'-P energy: -69.544
bonds (distance) P-C4' energy: -82.752
flat angles C4'-P-C4' energy: -72.516
flat angles P-C4'-P energy: -60.371
tors. eta vs tors. theta energy: -24.825
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: 7, replica: 6
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -437.396958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.396958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.396958 (E_RNA)
where:
Base-Base interactions energy: -152.316
where: short stacking energy: -145.645
Base-Backbone interact. energy: -1.439
local terms energy: -283.642589
where:
bonds (distance) C4'-P energy: -74.970
bonds (distance) P-C4' energy: -77.446
flat angles C4'-P-C4' energy: -61.596
flat angles P-C4'-P energy: -59.664
tors. eta vs tors. theta energy: -9.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -439.976865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.976865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.976865 (E_RNA)
where:
Base-Base interactions energy: -165.772
where: short stacking energy: -156.746
Base-Backbone interact. energy: -0.698
local terms energy: -273.506708
where:
bonds (distance) C4'-P energy: -80.074
bonds (distance) P-C4' energy: -86.821
flat angles C4'-P-C4' energy: -60.675
flat angles P-C4'-P energy: -36.426
tors. eta vs tors. theta energy: -9.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -377.687924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.687924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.687924 (E_RNA)
where:
Base-Base interactions energy: -125.511
where: short stacking energy: -118.804
Base-Backbone interact. energy: 3.732
local terms energy: -255.908645
where:
bonds (distance) C4'-P energy: -74.968
bonds (distance) P-C4' energy: -83.812
flat angles C4'-P-C4' energy: -65.662
flat angles P-C4'-P energy: -32.467
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: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -367.448712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.448712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.448712 (E_RNA)
where:
Base-Base interactions energy: -121.323
where: short stacking energy: -113.765
Base-Backbone interact. energy: -0.324
local terms energy: -245.801143
where:
bonds (distance) C4'-P energy: -83.251
bonds (distance) P-C4' energy: -74.585
flat angles C4'-P-C4' energy: -61.171
flat angles P-C4'-P energy: -28.392
tors. eta vs tors. theta energy: 1.597
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1211.673990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.673990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.673990 (E_RNA)
where:
Base-Base interactions energy: -733.406
where: short stacking energy: -409.539
Base-Backbone interact. energy: -1.429
local terms energy: -476.838650
where:
bonds (distance) C4'-P energy: -82.230
bonds (distance) P-C4' energy: -98.503
flat angles C4'-P-C4' energy: -109.860
flat angles P-C4'-P energy: -72.612
tors. eta vs tors. theta energy: -113.633
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: 2, replica: 8
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1064.914577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.914577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.914577 (E_RNA)
where:
Base-Base interactions energy: -619.688
where: short stacking energy: -389.682
Base-Backbone interact. energy: -1.092
local terms energy: -444.134631
where:
bonds (distance) C4'-P energy: -90.254
bonds (distance) P-C4' energy: -88.510
flat angles C4'-P-C4' energy: -99.778
flat angles P-C4'-P energy: -52.499
tors. eta vs tors. theta energy: -113.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -848.190667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.190667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.190667 (E_RNA)
where:
Base-Base interactions energy: -466.727
where: short stacking energy: -305.568
Base-Backbone interact. energy: 1.459
local terms energy: -382.923153
where:
bonds (distance) C4'-P energy: -78.632
bonds (distance) P-C4' energy: -86.998
flat angles C4'-P-C4' energy: -81.078
flat angles P-C4'-P energy: -60.347
tors. eta vs tors. theta energy: -75.869
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: 152
Temperature: 1.050000
Total energy: -827.619728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.619728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.619728 (E_RNA)
where:
Base-Base interactions energy: -439.673
where: short stacking energy: -281.595
Base-Backbone interact. energy: -1.023
local terms energy: -386.923110
where:
bonds (distance) C4'-P energy: -82.121
bonds (distance) P-C4' energy: -89.658
flat angles C4'-P-C4' energy: -87.621
flat angles P-C4'-P energy: -66.658
tors. eta vs tors. theta energy: -60.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -618.882299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.882299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.882299 (E_RNA)
where:
Base-Base interactions energy: -310.346
where: short stacking energy: -203.588
Base-Backbone interact. energy: -1.517
local terms energy: -307.019017
where:
bonds (distance) C4'-P energy: -80.689
bonds (distance) P-C4' energy: -86.101
flat angles C4'-P-C4' energy: -69.124
flat angles P-C4'-P energy: -40.012
tors. eta vs tors. theta energy: -31.092
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: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -632.576029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.576029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.576029 (E_RNA)
where:
Base-Base interactions energy: -291.653
where: short stacking energy: -207.235
Base-Backbone interact. energy: -3.439
local terms energy: -337.484662
where:
bonds (distance) C4'-P energy: -76.946
bonds (distance) P-C4' energy: -82.676
flat angles C4'-P-C4' energy: -85.551
flat angles P-C4'-P energy: -53.694
tors. eta vs tors. theta energy: -38.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -443.409089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.409089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.409089 (E_RNA)
where:
Base-Base interactions energy: -143.106
where: short stacking energy: -121.806
Base-Backbone interact. energy: -1.002
local terms energy: -299.300630
where:
bonds (distance) C4'-P energy: -80.532
bonds (distance) P-C4' energy: -76.497
flat angles C4'-P-C4' energy: -82.708
flat angles P-C4'-P energy: -41.818
tors. eta vs tors. theta energy: -17.745
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: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -409.361790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.361790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.361790 (E_RNA)
where:
Base-Base interactions energy: -141.987
where: short stacking energy: -133.136
Base-Backbone interact. energy: -0.423
local terms energy: -266.952006
where:
bonds (distance) C4'-P energy: -69.500
bonds (distance) P-C4' energy: -73.420
flat angles C4'-P-C4' energy: -83.083
flat angles P-C4'-P energy: -42.772
tors. eta vs tors. theta energy: 1.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -403.649935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.649935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.649935 (E_RNA)
where:
Base-Base interactions energy: -165.438
where: short stacking energy: -133.451
Base-Backbone interact. energy: 0.660
local terms energy: -238.871539
where:
bonds (distance) C4'-P energy: -59.598
bonds (distance) P-C4' energy: -82.056
flat angles C4'-P-C4' energy: -63.516
flat angles P-C4'-P energy: -32.026
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -404.585757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.585757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.585757 (E_RNA)
where:
Base-Base interactions energy: -143.946
where: short stacking energy: -116.572
Base-Backbone interact. energy: 0.438
local terms energy: -261.076932
where:
bonds (distance) C4'-P energy: -67.040
bonds (distance) P-C4' energy: -82.428
flat angles C4'-P-C4' energy: -66.247
flat angles P-C4'-P energy: -56.078
tors. eta vs tors. theta energy: 10.716
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1220.152470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.152470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.152470 (E_RNA)
where:
Base-Base interactions energy: -754.923
where: short stacking energy: -431.134
Base-Backbone interact. energy: -2.044
local terms energy: -463.185694
where:
bonds (distance) C4'-P energy: -86.746
bonds (distance) P-C4' energy: -94.236
flat angles C4'-P-C4' energy: -106.275
flat angles P-C4'-P energy: -62.158
tors. eta vs tors. theta energy: -113.771
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: 8
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1075.065550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.065550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.065550 (E_RNA)
where:
Base-Base interactions energy: -614.790
where: short stacking energy: -395.502
Base-Backbone interact. energy: 3.315
local terms energy: -463.590234
where:
bonds (distance) C4'-P energy: -90.026
bonds (distance) P-C4' energy: -97.132
flat angles C4'-P-C4' energy: -97.652
flat angles P-C4'-P energy: -65.010
tors. eta vs tors. theta energy: -113.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -905.821158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.821158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.821158 (E_RNA)
where:
Base-Base interactions energy: -485.683
where: short stacking energy: -322.334
Base-Backbone interact. energy: -0.627
local terms energy: -419.511543
where:
bonds (distance) C4'-P energy: -97.674
bonds (distance) P-C4' energy: -85.935
flat angles C4'-P-C4' energy: -91.236
flat angles P-C4'-P energy: -49.775
tors. eta vs tors. theta energy: -94.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -834.834383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.834383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.834383 (E_RNA)
where:
Base-Base interactions energy: -441.425
where: short stacking energy: -294.989
Base-Backbone interact. energy: -0.125
local terms energy: -393.283654
where:
bonds (distance) C4'-P energy: -86.519
bonds (distance) P-C4' energy: -88.539
flat angles C4'-P-C4' energy: -84.977
flat angles P-C4'-P energy: -63.176
tors. eta vs tors. theta energy: -70.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -623.202899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.202899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.202899 (E_RNA)
where:
Base-Base interactions energy: -290.828
where: short stacking energy: -228.514
Base-Backbone interact. energy: 0.985
local terms energy: -333.359691
where:
bonds (distance) C4'-P energy: -87.239
bonds (distance) P-C4' energy: -90.537
flat angles C4'-P-C4' energy: -85.325
flat angles P-C4'-P energy: -45.602
tors. eta vs tors. theta energy: -24.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -593.496342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.496342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.496342 (E_RNA)
where:
Base-Base interactions energy: -282.792
where: short stacking energy: -190.534
Base-Backbone interact. energy: -1.187
local terms energy: -309.516870
where:
bonds (distance) C4'-P energy: -86.767
bonds (distance) P-C4' energy: -82.896
flat angles C4'-P-C4' energy: -85.088
flat angles P-C4'-P energy: -43.503
tors. eta vs tors. theta energy: -11.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -471.304915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.304915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.304915 (E_RNA)
where:
Base-Base interactions energy: -169.371
where: short stacking energy: -140.392
Base-Backbone interact. energy: -0.533
local terms energy: -301.401685
where:
bonds (distance) C4'-P energy: -72.232
bonds (distance) P-C4' energy: -99.056
flat angles C4'-P-C4' energy: -76.904
flat angles P-C4'-P energy: -41.041
tors. eta vs tors. theta energy: -12.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -427.328380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.328380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.328380 (E_RNA)
where:
Base-Base interactions energy: -148.745
where: short stacking energy: -129.320
Base-Backbone interact. energy: 1.217
local terms energy: -279.799865
where:
bonds (distance) C4'-P energy: -77.421
bonds (distance) P-C4' energy: -74.388
flat angles C4'-P-C4' energy: -80.897
flat angles P-C4'-P energy: -45.959
tors. eta vs tors. theta energy: -1.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -381.862615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.862615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.862615 (E_RNA)
where:
Base-Base interactions energy: -143.171
where: short stacking energy: -94.451
Base-Backbone interact. energy: -0.104
local terms energy: -238.587544
where:
bonds (distance) C4'-P energy: -61.256
bonds (distance) P-C4' energy: -93.512
flat angles C4'-P-C4' energy: -47.668
flat angles P-C4'-P energy: -52.363
tors. eta vs tors. theta energy: 16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -357.836374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.836374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.836374 (E_RNA)
where:
Base-Base interactions energy: -131.208
where: short stacking energy: -116.907
Base-Backbone interact. energy: -1.689
local terms energy: -224.938972
where:
bonds (distance) C4'-P energy: -70.921
bonds (distance) P-C4' energy: -78.575
flat angles C4'-P-C4' energy: -65.581
flat angles P-C4'-P energy: -32.357
tors. eta vs tors. theta energy: 22.496
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1180.144025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.144025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.144025 (E_RNA)
where:
Base-Base interactions energy: -700.774
where: short stacking energy: -384.886
Base-Backbone interact. energy: -0.621
local terms energy: -478.748542
where:
bonds (distance) C4'-P energy: -86.524
bonds (distance) P-C4' energy: -100.664
flat angles C4'-P-C4' energy: -109.079
flat angles P-C4'-P energy: -62.074
tors. eta vs tors. theta energy: -120.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1040.309600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.309600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.309600 (E_RNA)
where:
Base-Base interactions energy: -588.114
where: short stacking energy: -364.141
Base-Backbone interact. energy: 2.473
local terms energy: -454.668138
where:
bonds (distance) C4'-P energy: -84.733
bonds (distance) P-C4' energy: -89.506
flat angles C4'-P-C4' energy: -106.810
flat angles P-C4'-P energy: -66.702
tors. eta vs tors. theta energy: -106.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -875.187016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.187016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.187016 (E_RNA)
where:
Base-Base interactions energy: -462.442
where: short stacking energy: -298.049
Base-Backbone interact. energy: -2.352
local terms energy: -410.392833
where:
bonds (distance) C4'-P energy: -85.062
bonds (distance) P-C4' energy: -95.046
flat angles C4'-P-C4' energy: -88.551
flat angles P-C4'-P energy: -64.866
tors. eta vs tors. theta energy: -76.867
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: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -832.679412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.679412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.679412 (E_RNA)
where:
Base-Base interactions energy: -453.588
where: short stacking energy: -294.510
Base-Backbone interact. energy: -1.218
local terms energy: -377.873443
where:
bonds (distance) C4'-P energy: -87.026
bonds (distance) P-C4' energy: -87.950
flat angles C4'-P-C4' energy: -86.206
flat angles P-C4'-P energy: -52.078
tors. eta vs tors. theta energy: -64.614
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: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -675.642879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.642879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.642879 (E_RNA)
where:
Base-Base interactions energy: -325.348
where: short stacking energy: -228.179
Base-Backbone interact. energy: 2.453
local terms energy: -352.748281
where:
bonds (distance) C4'-P energy: -82.802
bonds (distance) P-C4' energy: -83.575
flat angles C4'-P-C4' energy: -76.178
flat angles P-C4'-P energy: -61.352
tors. eta vs tors. theta energy: -48.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -621.304986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.304986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.304986 (E_RNA)
where:
Base-Base interactions energy: -307.062
where: short stacking energy: -192.118
Base-Backbone interact. energy: 3.064
local terms energy: -317.307405
where:
bonds (distance) C4'-P energy: -81.798
bonds (distance) P-C4' energy: -93.895
flat angles C4'-P-C4' energy: -76.719
flat angles P-C4'-P energy: -51.374
tors. eta vs tors. theta energy: -13.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -458.402963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.402963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.402963 (E_RNA)
where:
Base-Base interactions energy: -155.743
where: short stacking energy: -137.649
Base-Backbone interact. energy: -0.526
local terms energy: -302.133276
where:
bonds (distance) C4'-P energy: -83.802
bonds (distance) P-C4' energy: -87.077
flat angles C4'-P-C4' energy: -80.003
flat angles P-C4'-P energy: -42.614
tors. eta vs tors. theta energy: -8.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -401.165252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.165252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.165252 (E_RNA)
where:
Base-Base interactions energy: -133.805
where: short stacking energy: -116.381
Base-Backbone interact. energy: -1.304
local terms energy: -266.056127
where:
bonds (distance) C4'-P energy: -79.652
bonds (distance) P-C4' energy: -81.035
flat angles C4'-P-C4' energy: -67.519
flat angles P-C4'-P energy: -41.967
tors. eta vs tors. theta energy: 4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -400.722070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.722070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.722070 (E_RNA)
where:
Base-Base interactions energy: -157.016
where: short stacking energy: -102.532
Base-Backbone interact. energy: -0.693
local terms energy: -243.013938
where:
bonds (distance) C4'-P energy: -75.790
bonds (distance) P-C4' energy: -85.129
flat angles C4'-P-C4' energy: -65.261
flat angles P-C4'-P energy: -24.237
tors. eta vs tors. theta energy: 7.403
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: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -359.964359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.964359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.964359 (E_RNA)
where:
Base-Base interactions energy: -107.617
where: short stacking energy: -84.916
Base-Backbone interact. energy: -0.057
local terms energy: -252.290090
where:
bonds (distance) C4'-P energy: -75.097
bonds (distance) P-C4' energy: -75.717
flat angles C4'-P-C4' energy: -76.839
flat angles P-C4'-P energy: -47.263
tors. eta vs tors. theta energy: 22.626
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1184.108041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.108041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.108041 (E_RNA)
where:
Base-Base interactions energy: -720.984
where: short stacking energy: -384.620
Base-Backbone interact. energy: -1.624
local terms energy: -461.499381
where:
bonds (distance) C4'-P energy: -95.742
bonds (distance) P-C4' energy: -96.377
flat angles C4'-P-C4' energy: -99.651
flat angles P-C4'-P energy: -70.988
tors. eta vs tors. theta energy: -98.742
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: 8
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1037.405016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.405016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.405016 (E_RNA)
where:
Base-Base interactions energy: -597.479
where: short stacking energy: -351.742
Base-Backbone interact. energy: -0.275
local terms energy: -439.650268
where:
bonds (distance) C4'-P energy: -86.640
bonds (distance) P-C4' energy: -95.743
flat angles C4'-P-C4' energy: -87.532
flat angles P-C4'-P energy: -71.610
tors. eta vs tors. theta energy: -98.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -853.756922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.756922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.756922 (E_RNA)
where:
Base-Base interactions energy: -454.172
where: short stacking energy: -271.438
Base-Backbone interact. energy: -1.405
local terms energy: -398.180135
where:
bonds (distance) C4'-P energy: -87.063
bonds (distance) P-C4' energy: -89.991
flat angles C4'-P-C4' energy: -87.175
flat angles P-C4'-P energy: -63.636
tors. eta vs tors. theta energy: -70.314
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: 3
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -865.272048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.272048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.272048 (E_RNA)
where:
Base-Base interactions energy: -487.204
where: short stacking energy: -321.785
Base-Backbone interact. energy: 4.260
local terms energy: -382.328307
where:
bonds (distance) C4'-P energy: -81.742
bonds (distance) P-C4' energy: -79.501
flat angles C4'-P-C4' energy: -85.155
flat angles P-C4'-P energy: -55.566
tors. eta vs tors. theta energy: -80.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -653.767294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.767294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.767294 (E_RNA)
where:
Base-Base interactions energy: -283.305
where: short stacking energy: -209.587
Base-Backbone interact. energy: -1.060
local terms energy: -369.401887
where:
bonds (distance) C4'-P energy: -89.306
bonds (distance) P-C4' energy: -81.733
flat angles C4'-P-C4' energy: -89.915
flat angles P-C4'-P energy: -70.583
tors. eta vs tors. theta energy: -37.865
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: 6, replica: 7
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -653.191097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.191097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.191097 (E_RNA)
where:
Base-Base interactions energy: -318.342
where: short stacking energy: -217.157
Base-Backbone interact. energy: 0.696
local terms energy: -335.545269
where:
bonds (distance) C4'-P energy: -75.395
bonds (distance) P-C4' energy: -80.503
flat angles C4'-P-C4' energy: -76.364
flat angles P-C4'-P energy: -60.169
tors. eta vs tors. theta energy: -43.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -444.070437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.070437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.070437 (E_RNA)
where:
Base-Base interactions energy: -159.107
where: short stacking energy: -153.860
Base-Backbone interact. energy: 2.010
local terms energy: -286.973934
where:
bonds (distance) C4'-P energy: -72.101
bonds (distance) P-C4' energy: -87.091
flat angles C4'-P-C4' energy: -74.529
flat angles P-C4'-P energy: -35.075
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -436.986376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.986376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.986376 (E_RNA)
where:
Base-Base interactions energy: -155.312
where: short stacking energy: -135.001
Base-Backbone interact. energy: -0.725
local terms energy: -280.949308
where:
bonds (distance) C4'-P energy: -79.084
bonds (distance) P-C4' energy: -82.790
flat angles C4'-P-C4' energy: -70.471
flat angles P-C4'-P energy: -47.576
tors. eta vs tors. theta energy: -1.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -400.587662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.587662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.587662 (E_RNA)
where:
Base-Base interactions energy: -103.830
where: short stacking energy: -98.629
Base-Backbone interact. energy: -0.383
local terms energy: -296.374428
where:
bonds (distance) C4'-P energy: -98.169
bonds (distance) P-C4' energy: -80.342
flat angles C4'-P-C4' energy: -84.251
flat angles P-C4'-P energy: -51.565
tors. eta vs tors. theta energy: 17.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -343.837821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.837821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.837821 (E_RNA)
where:
Base-Base interactions energy: -127.288
where: short stacking energy: -112.460
Base-Backbone interact. energy: -2.017
local terms energy: -214.532992
where:
bonds (distance) C4'-P energy: -74.797
bonds (distance) P-C4' energy: -68.245
flat angles C4'-P-C4' energy: -52.589
flat angles P-C4'-P energy: -32.890
tors. eta vs tors. theta energy: 13.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1216.361413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.361413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.361413 (E_RNA)
where:
Base-Base interactions energy: -740.748
where: short stacking energy: -427.346
Base-Backbone interact. energy: 0.887
local terms energy: -476.500231
where:
bonds (distance) C4'-P energy: -89.792
bonds (distance) P-C4' energy: -90.226
flat angles C4'-P-C4' energy: -110.556
flat angles P-C4'-P energy: -64.515
tors. eta vs tors. theta energy: -121.411
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: 8
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1057.044567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.044567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.044567 (E_RNA)
where:
Base-Base interactions energy: -588.917
where: short stacking energy: -385.458
Base-Backbone interact. energy: -0.717
local terms energy: -467.410555
where:
bonds (distance) C4'-P energy: -91.258
bonds (distance) P-C4' energy: -99.104
flat angles C4'-P-C4' energy: -101.302
flat angles P-C4'-P energy: -61.649
tors. eta vs tors. theta energy: -114.097
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: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -878.236409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.236409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.236409 (E_RNA)
where:
Base-Base interactions energy: -459.336
where: short stacking energy: -307.568
Base-Backbone interact. energy: 0.639
local terms energy: -419.539487
where:
bonds (distance) C4'-P energy: -89.855
bonds (distance) P-C4' energy: -88.200
flat angles C4'-P-C4' energy: -93.989
flat angles P-C4'-P energy: -69.098
tors. eta vs tors. theta energy: -78.398
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: 1
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -859.911681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.911681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.911681 (E_RNA)
where:
Base-Base interactions energy: -459.528
where: short stacking energy: -297.873
Base-Backbone interact. energy: 0.330
local terms energy: -400.713385
where:
bonds (distance) C4'-P energy: -78.946
bonds (distance) P-C4' energy: -74.554
flat angles C4'-P-C4' energy: -98.157
flat angles P-C4'-P energy: -59.096
tors. eta vs tors. theta energy: -89.960
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: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -643.111252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.111252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.111252 (E_RNA)
where:
Base-Base interactions energy: -297.007
where: short stacking energy: -192.089
Base-Backbone interact. energy: -0.188
local terms energy: -345.915890
where:
bonds (distance) C4'-P energy: -70.814
bonds (distance) P-C4' energy: -88.101
flat angles C4'-P-C4' energy: -89.087
flat angles P-C4'-P energy: -69.901
tors. eta vs tors. theta energy: -28.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -612.410862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.410862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.410862 (E_RNA)
where:
Base-Base interactions energy: -295.736
where: short stacking energy: -199.339
Base-Backbone interact. energy: -0.465
local terms energy: -316.209242
where:
bonds (distance) C4'-P energy: -77.954
bonds (distance) P-C4' energy: -83.541
flat angles C4'-P-C4' energy: -77.570
flat angles P-C4'-P energy: -36.743
tors. eta vs tors. theta energy: -40.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -487.384156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.384156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.384156 (E_RNA)
where:
Base-Base interactions energy: -195.403
where: short stacking energy: -153.099
Base-Backbone interact. energy: 0.623
local terms energy: -292.603974
where:
bonds (distance) C4'-P energy: -76.975
bonds (distance) P-C4' energy: -88.319
flat angles C4'-P-C4' energy: -66.008
flat angles P-C4'-P energy: -50.514
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: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -411.674442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.674442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.674442 (E_RNA)
where:
Base-Base interactions energy: -128.067
where: short stacking energy: -128.669
Base-Backbone interact. energy: 6.684
local terms energy: -290.291352
where:
bonds (distance) C4'-P energy: -72.681
bonds (distance) P-C4' energy: -88.574
flat angles C4'-P-C4' energy: -74.037
flat angles P-C4'-P energy: -51.811
tors. eta vs tors. theta energy: -3.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -405.774487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.774487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.774487 (E_RNA)
where:
Base-Base interactions energy: -135.441
where: short stacking energy: -97.477
Base-Backbone interact. energy: 0.855
local terms energy: -271.188811
where:
bonds (distance) C4'-P energy: -93.153
bonds (distance) P-C4' energy: -68.065
flat angles C4'-P-C4' energy: -79.159
flat angles P-C4'-P energy: -44.327
tors. eta vs tors. theta energy: 13.516
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: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -366.285561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.285561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.285561 (E_RNA)
where:
Base-Base interactions energy: -137.814
where: short stacking energy: -101.694
Base-Backbone interact. energy: 3.793
local terms energy: -232.265115
where:
bonds (distance) C4'-P energy: -66.897
bonds (distance) P-C4' energy: -66.969
flat angles C4'-P-C4' energy: -69.013
flat angles P-C4'-P energy: -39.050
tors. eta vs tors. theta energy: 9.663
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1210.715801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.715801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.715801 (E_RNA)
where:
Base-Base interactions energy: -736.807
where: short stacking energy: -427.357
Base-Backbone interact. energy: -1.429
local terms energy: -472.479536
where:
bonds (distance) C4'-P energy: -82.438
bonds (distance) P-C4' energy: -95.188
flat angles C4'-P-C4' energy: -96.648
flat angles P-C4'-P energy: -73.683
tors. eta vs tors. theta energy: -124.523
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: 8
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1066.198603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.198603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.198603 (E_RNA)
where:
Base-Base interactions energy: -616.727
where: short stacking energy: -381.711
Base-Backbone interact. energy: -0.965
local terms energy: -448.506200
where:
bonds (distance) C4'-P energy: -78.729
bonds (distance) P-C4' energy: -93.967
flat angles C4'-P-C4' energy: -98.566
flat angles P-C4'-P energy: -63.366
tors. eta vs tors. theta energy: -113.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -924.380199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.380199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.380199 (E_RNA)
where:
Base-Base interactions energy: -501.573
where: short stacking energy: -333.051
Base-Backbone interact. energy: -1.421
local terms energy: -421.386021
where:
bonds (distance) C4'-P energy: -75.703
bonds (distance) P-C4' energy: -95.163
flat angles C4'-P-C4' energy: -99.754
flat angles P-C4'-P energy: -55.184
tors. eta vs tors. theta energy: -95.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -817.291437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.291437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.291437 (E_RNA)
where:
Base-Base interactions energy: -463.445
where: short stacking energy: -306.237
Base-Backbone interact. energy: 4.134
local terms energy: -357.980934
where:
bonds (distance) C4'-P energy: -86.613
bonds (distance) P-C4' energy: -76.759
flat angles C4'-P-C4' energy: -84.090
flat angles P-C4'-P energy: -38.252
tors. eta vs tors. theta energy: -72.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -675.123890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.123890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.123890 (E_RNA)
where:
Base-Base interactions energy: -326.149
where: short stacking energy: -226.270
Base-Backbone interact. energy: -0.245
local terms energy: -348.729550
where:
bonds (distance) C4'-P energy: -77.987
bonds (distance) P-C4' energy: -89.657
flat angles C4'-P-C4' energy: -87.663
flat angles P-C4'-P energy: -44.341
tors. eta vs tors. theta energy: -49.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -566.862443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.862443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.862443 (E_RNA)
where:
Base-Base interactions energy: -252.978
where: short stacking energy: -173.384
Base-Backbone interact. energy: -1.877
local terms energy: -312.006994
where:
bonds (distance) C4'-P energy: -70.841
bonds (distance) P-C4' energy: -81.477
flat angles C4'-P-C4' energy: -74.974
flat angles P-C4'-P energy: -56.928
tors. eta vs tors. theta energy: -27.787
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: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -456.220881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.220881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.220881 (E_RNA)
where:
Base-Base interactions energy: -170.005
where: short stacking energy: -163.260
Base-Backbone interact. energy: 0.951
local terms energy: -287.166015
where:
bonds (distance) C4'-P energy: -70.540
bonds (distance) P-C4' energy: -76.368
flat angles C4'-P-C4' energy: -72.171
flat angles P-C4'-P energy: -42.798
tors. eta vs tors. theta energy: -25.288
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: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -446.942784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.942784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.942784 (E_RNA)
where:
Base-Base interactions energy: -169.712
where: short stacking energy: -121.273
Base-Backbone interact. energy: -1.182
local terms energy: -276.048671
where:
bonds (distance) C4'-P energy: -72.453
bonds (distance) P-C4' energy: -86.488
flat angles C4'-P-C4' energy: -74.266
flat angles P-C4'-P energy: -45.813
tors. eta vs tors. theta energy: 2.971
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: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -430.034662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.034662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.034662 (E_RNA)
where:
Base-Base interactions energy: -177.011
where: short stacking energy: -122.468
Base-Backbone interact. energy: -0.789
local terms energy: -252.235155
where:
bonds (distance) C4'-P energy: -67.392
bonds (distance) P-C4' energy: -80.596
flat angles C4'-P-C4' energy: -68.950
flat angles P-C4'-P energy: -35.495
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: 10, replica: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -347.035786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.035786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.035786 (E_RNA)
where:
Base-Base interactions energy: -98.280
where: short stacking energy: -89.671
Base-Backbone interact. energy: 1.111
local terms energy: -249.867218
where:
bonds (distance) C4'-P energy: -79.665
bonds (distance) P-C4' energy: -73.917
flat angles C4'-P-C4' energy: -75.097
flat angles P-C4'-P energy: -31.809
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1182.817513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.817513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.817513 (E_RNA)
where:
Base-Base interactions energy: -707.597
where: short stacking energy: -412.448
Base-Backbone interact. energy: -1.002
local terms energy: -474.218369
where:
bonds (distance) C4'-P energy: -82.397
bonds (distance) P-C4' energy: -101.695
flat angles C4'-P-C4' energy: -101.559
flat angles P-C4'-P energy: -67.683
tors. eta vs tors. theta energy: -120.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1098.769870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.769870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.769870 (E_RNA)
where:
Base-Base interactions energy: -617.481
where: short stacking energy: -401.073
Base-Backbone interact. energy: -2.230
local terms energy: -479.058741
where:
bonds (distance) C4'-P energy: -90.130
bonds (distance) P-C4' energy: -88.779
flat angles C4'-P-C4' energy: -107.071
flat angles P-C4'-P energy: -73.321
tors. eta vs tors. theta energy: -119.758
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: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -900.727164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.727164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.727164 (E_RNA)
where:
Base-Base interactions energy: -487.089
where: short stacking energy: -306.654
Base-Backbone interact. energy: -0.109
local terms energy: -413.530001
where:
bonds (distance) C4'-P energy: -92.347
bonds (distance) P-C4' energy: -101.585
flat angles C4'-P-C4' energy: -82.765
flat angles P-C4'-P energy: -58.595
tors. eta vs tors. theta energy: -78.239
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: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -785.609542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.609542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.609542 (E_RNA)
where:
Base-Base interactions energy: -414.861
where: short stacking energy: -281.616
Base-Backbone interact. energy: -0.139
local terms energy: -370.610440
where:
bonds (distance) C4'-P energy: -84.374
bonds (distance) P-C4' energy: -90.341
flat angles C4'-P-C4' energy: -84.290
flat angles P-C4'-P energy: -45.259
tors. eta vs tors. theta energy: -66.346
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: 5, replica: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -684.706661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.706661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.706661 (E_RNA)
where:
Base-Base interactions energy: -343.864
where: short stacking energy: -207.045
Base-Backbone interact. energy: -0.695
local terms energy: -340.147533
where:
bonds (distance) C4'-P energy: -90.715
bonds (distance) P-C4' energy: -88.347
flat angles C4'-P-C4' energy: -88.694
flat angles P-C4'-P energy: -40.483
tors. eta vs tors. theta energy: -31.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -561.060064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.060064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.060064 (E_RNA)
where:
Base-Base interactions energy: -245.173
where: short stacking energy: -194.516
Base-Backbone interact. energy: -2.005
local terms energy: -313.882183
where:
bonds (distance) C4'-P energy: -76.380
bonds (distance) P-C4' energy: -87.361
flat angles C4'-P-C4' energy: -73.895
flat angles P-C4'-P energy: -54.058
tors. eta vs tors. theta energy: -22.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -500.177590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.177590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.177590 (E_RNA)
where:
Base-Base interactions energy: -217.401
where: short stacking energy: -162.173
Base-Backbone interact. energy: -1.209
local terms energy: -281.567966
where:
bonds (distance) C4'-P energy: -83.900
bonds (distance) P-C4' energy: -91.919
flat angles C4'-P-C4' energy: -52.481
flat angles P-C4'-P energy: -41.401
tors. eta vs tors. theta energy: -11.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -412.322760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.322760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.322760 (E_RNA)
where:
Base-Base interactions energy: -147.651
where: short stacking energy: -121.375
Base-Backbone interact. energy: 0.654
local terms energy: -265.325599
where:
bonds (distance) C4'-P energy: -76.406
bonds (distance) P-C4' energy: -88.316
flat angles C4'-P-C4' energy: -56.071
flat angles P-C4'-P energy: -42.660
tors. eta vs tors. theta energy: -1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -384.444726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.444726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.444726 (E_RNA)
where:
Base-Base interactions energy: -143.264
where: short stacking energy: -126.074
Base-Backbone interact. energy: -3.784
local terms energy: -237.396912
where:
bonds (distance) C4'-P energy: -82.800
bonds (distance) P-C4' energy: -75.623
flat angles C4'-P-C4' energy: -63.069
flat angles P-C4'-P energy: -20.866
tors. eta vs tors. theta energy: 4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -359.070658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.070658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.070658 (E_RNA)
where:
Base-Base interactions energy: -106.901
where: short stacking energy: -95.920
Base-Backbone interact. energy: 2.388
local terms energy: -254.558185
where:
bonds (distance) C4'-P energy: -84.885
bonds (distance) P-C4' energy: -78.063
flat angles C4'-P-C4' energy: -63.058
flat angles P-C4'-P energy: -45.311
tors. eta vs tors. theta energy: 16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1215.054138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.054138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.054138 (E_RNA)
where:
Base-Base interactions energy: -728.625
where: short stacking energy: -444.636
Base-Backbone interact. energy: 0.575
local terms energy: -487.003629
where:
bonds (distance) C4'-P energy: -85.662
bonds (distance) P-C4' energy: -87.137
flat angles C4'-P-C4' energy: -111.389
flat angles P-C4'-P energy: -76.331
tors. eta vs tors. theta energy: -126.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1078.515786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.515786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.515786 (E_RNA)
where:
Base-Base interactions energy: -627.968
where: short stacking energy: -390.445
Base-Backbone interact. energy: 1.359
local terms energy: -451.906647
where:
bonds (distance) C4'-P energy: -89.960
bonds (distance) P-C4' energy: -94.207
flat angles C4'-P-C4' energy: -93.677
flat angles P-C4'-P energy: -57.261
tors. eta vs tors. theta energy: -116.802
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: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -865.680529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.680529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.680529 (E_RNA)
where:
Base-Base interactions energy: -481.643
where: short stacking energy: -307.394
Base-Backbone interact. energy: 0.119
local terms energy: -384.156698
where:
bonds (distance) C4'-P energy: -90.292
bonds (distance) P-C4' energy: -85.361
flat angles C4'-P-C4' energy: -85.659
flat angles P-C4'-P energy: -59.271
tors. eta vs tors. theta energy: -63.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -754.630980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.630980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.630980 (E_RNA)
where:
Base-Base interactions energy: -368.613
where: short stacking energy: -248.062
Base-Backbone interact. energy: 1.500
local terms energy: -387.518855
where:
bonds (distance) C4'-P energy: -90.277
bonds (distance) P-C4' energy: -79.215
flat angles C4'-P-C4' energy: -91.762
flat angles P-C4'-P energy: -62.665
tors. eta vs tors. theta energy: -63.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -669.891182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.891182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.891182 (E_RNA)
where:
Base-Base interactions energy: -328.267
where: short stacking energy: -240.086
Base-Backbone interact. energy: 2.020
local terms energy: -343.644478
where:
bonds (distance) C4'-P energy: -73.823
bonds (distance) P-C4' energy: -94.193
flat angles C4'-P-C4' energy: -80.269
flat angles P-C4'-P energy: -48.443
tors. eta vs tors. theta energy: -46.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -624.374251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.374251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.374251 (E_RNA)
where:
Base-Base interactions energy: -275.373
where: short stacking energy: -199.718
Base-Backbone interact. energy: -0.340
local terms energy: -348.661617
where:
bonds (distance) C4'-P energy: -81.834
bonds (distance) P-C4' energy: -92.492
flat angles C4'-P-C4' energy: -86.567
flat angles P-C4'-P energy: -48.958
tors. eta vs tors. theta energy: -38.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -483.087563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.087563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.087563 (E_RNA)
where:
Base-Base interactions energy: -195.929
where: short stacking energy: -149.725
Base-Backbone interact. energy: 0.674
local terms energy: -287.833200
where:
bonds (distance) C4'-P energy: -71.028
bonds (distance) P-C4' energy: -87.783
flat angles C4'-P-C4' energy: -67.778
flat angles P-C4'-P energy: -39.665
tors. eta vs tors. theta energy: -21.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -425.487899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.487899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.487899 (E_RNA)
where:
Base-Base interactions energy: -135.438
where: short stacking energy: -122.470
Base-Backbone interact. energy: -1.198
local terms energy: -288.851823
where:
bonds (distance) C4'-P energy: -82.751
bonds (distance) P-C4' energy: -85.888
flat angles C4'-P-C4' energy: -73.797
flat angles P-C4'-P energy: -39.113
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: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -422.414741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.414741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.414741 (E_RNA)
where:
Base-Base interactions energy: -162.906
where: short stacking energy: -114.938
Base-Backbone interact. energy: 2.077
local terms energy: -261.586156
where:
bonds (distance) C4'-P energy: -80.829
bonds (distance) P-C4' energy: -84.073
flat angles C4'-P-C4' energy: -72.408
flat angles P-C4'-P energy: -30.826
tors. eta vs tors. theta energy: 6.550
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: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -351.614762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.614762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.614762 (E_RNA)
where:
Base-Base interactions energy: -112.892
where: short stacking energy: -96.727
Base-Backbone interact. energy: 1.015
local terms energy: -239.738181
where:
bonds (distance) C4'-P energy: -70.638
bonds (distance) P-C4' energy: -82.058
flat angles C4'-P-C4' energy: -65.857
flat angles P-C4'-P energy: -36.506
tors. eta vs tors. theta energy: 15.321
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1187.370428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.370428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.370428 (E_RNA)
where:
Base-Base interactions energy: -702.593
where: short stacking energy: -409.647
Base-Backbone interact. energy: -1.760
local terms energy: -483.017449
where:
bonds (distance) C4'-P energy: -97.351
bonds (distance) P-C4' energy: -98.428
flat angles C4'-P-C4' energy: -94.373
flat angles P-C4'-P energy: -76.245
tors. eta vs tors. theta energy: -116.620
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: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1070.238840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.238840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.238840 (E_RNA)
where:
Base-Base interactions energy: -612.228
where: short stacking energy: -377.951
Base-Backbone interact. energy: -0.302
local terms energy: -457.708237
where:
bonds (distance) C4'-P energy: -90.772
bonds (distance) P-C4' energy: -89.714
flat angles C4'-P-C4' energy: -94.756
flat angles P-C4'-P energy: -68.760
tors. eta vs tors. theta energy: -113.706
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: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -906.087606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.087606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.087606 (E_RNA)
where:
Base-Base interactions energy: -491.117
where: short stacking energy: -319.110
Base-Backbone interact. energy: -1.539
local terms energy: -413.431020
where:
bonds (distance) C4'-P energy: -77.512
bonds (distance) P-C4' energy: -92.217
flat angles C4'-P-C4' energy: -87.387
flat angles P-C4'-P energy: -72.149
tors. eta vs tors. theta energy: -84.165
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: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -779.375991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.375991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.375991 (E_RNA)
where:
Base-Base interactions energy: -401.020
where: short stacking energy: -254.323
Base-Backbone interact. energy: -0.674
local terms energy: -377.682184
where:
bonds (distance) C4'-P energy: -77.307
bonds (distance) P-C4' energy: -96.616
flat angles C4'-P-C4' energy: -82.240
flat angles P-C4'-P energy: -65.257
tors. eta vs tors. theta energy: -56.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -661.522442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.522442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.522442 (E_RNA)
where:
Base-Base interactions energy: -331.536
where: short stacking energy: -245.466
Base-Backbone interact. energy: -0.436
local terms energy: -329.550275
where:
bonds (distance) C4'-P energy: -72.668
bonds (distance) P-C4' energy: -81.450
flat angles C4'-P-C4' energy: -90.316
flat angles P-C4'-P energy: -41.542
tors. eta vs tors. theta energy: -43.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -567.688562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.688562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.688562 (E_RNA)
where:
Base-Base interactions energy: -252.715
where: short stacking energy: -189.283
Base-Backbone interact. energy: -0.756
local terms energy: -314.217797
where:
bonds (distance) C4'-P energy: -100.631
bonds (distance) P-C4' energy: -72.226
flat angles C4'-P-C4' energy: -59.466
flat angles P-C4'-P energy: -55.764
tors. eta vs tors. theta energy: -26.131
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: 160
Temperature: 1.200000
Total energy: -450.188997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.188997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.188997 (E_RNA)
where:
Base-Base interactions energy: -168.010
where: short stacking energy: -122.979
Base-Backbone interact. energy: -0.894
local terms energy: -281.285030
where:
bonds (distance) C4'-P energy: -89.024
bonds (distance) P-C4' energy: -74.441
flat angles C4'-P-C4' energy: -75.280
flat angles P-C4'-P energy: -48.311
tors. eta vs tors. theta energy: 5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -434.749361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.749361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.749361 (E_RNA)
where:
Base-Base interactions energy: -144.481
where: short stacking energy: -135.783
Base-Backbone interact. energy: 0.626
local terms energy: -290.893739
where:
bonds (distance) C4'-P energy: -80.365
bonds (distance) P-C4' energy: -82.123
flat angles C4'-P-C4' energy: -69.247
flat angles P-C4'-P energy: -53.261
tors. eta vs tors. theta energy: -5.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -393.224688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.224688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.224688 (E_RNA)
where:
Base-Base interactions energy: -144.368
where: short stacking energy: -126.537
Base-Backbone interact. energy: -0.219
local terms energy: -248.637807
where:
bonds (distance) C4'-P energy: -71.158
bonds (distance) P-C4' energy: -71.229
flat angles C4'-P-C4' energy: -56.975
flat angles P-C4'-P energy: -43.706
tors. eta vs tors. theta energy: -5.570
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: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -372.054417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.054417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.054417 (E_RNA)
where:
Base-Base interactions energy: -143.670
where: short stacking energy: -131.418
Base-Backbone interact. energy: -0.105
local terms energy: -228.278856
where:
bonds (distance) C4'-P energy: -68.970
bonds (distance) P-C4' energy: -73.236
flat angles C4'-P-C4' energy: -51.808
flat angles P-C4'-P energy: -35.170
tors. eta vs tors. theta energy: 0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1193.103337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.103337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.103337 (E_RNA)
where:
Base-Base interactions energy: -716.918
where: short stacking energy: -433.567
Base-Backbone interact. energy: -0.510
local terms energy: -475.674880
where:
bonds (distance) C4'-P energy: -89.652
bonds (distance) P-C4' energy: -98.775
flat angles C4'-P-C4' energy: -100.270
flat angles P-C4'-P energy: -73.734
tors. eta vs tors. theta energy: -113.244
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: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1058.440378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.440378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.440378 (E_RNA)
where:
Base-Base interactions energy: -599.247
where: short stacking energy: -381.237
Base-Backbone interact. energy: 1.178
local terms energy: -460.371822
where:
bonds (distance) C4'-P energy: -101.810
bonds (distance) P-C4' energy: -87.698
flat angles C4'-P-C4' energy: -98.007
flat angles P-C4'-P energy: -66.550
tors. eta vs tors. theta energy: -106.307
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: 3, replica: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -922.017319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.017319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.017319 (E_RNA)
where:
Base-Base interactions energy: -516.124
where: short stacking energy: -325.145
Base-Backbone interact. energy: 1.617
local terms energy: -407.510574
where:
bonds (distance) C4'-P energy: -87.570
bonds (distance) P-C4' energy: -91.975
flat angles C4'-P-C4' energy: -82.379
flat angles P-C4'-P energy: -59.427
tors. eta vs tors. theta energy: -86.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -794.163713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.163713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.163713 (E_RNA)
where:
Base-Base interactions energy: -420.499
where: short stacking energy: -259.996
Base-Backbone interact. energy: -0.990
local terms energy: -372.674954
where:
bonds (distance) C4'-P energy: -79.803
bonds (distance) P-C4' energy: -93.472
flat angles C4'-P-C4' energy: -94.872
flat angles P-C4'-P energy: -49.216
tors. eta vs tors. theta energy: -55.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -673.255845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.255845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.255845 (E_RNA)
where:
Base-Base interactions energy: -341.257
where: short stacking energy: -224.798
Base-Backbone interact. energy: -1.372
local terms energy: -330.626915
where:
bonds (distance) C4'-P energy: -74.312
bonds (distance) P-C4' energy: -82.388
flat angles C4'-P-C4' energy: -80.810
flat angles P-C4'-P energy: -53.093
tors. eta vs tors. theta energy: -40.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -557.072562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.072562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.072562 (E_RNA)
where:
Base-Base interactions energy: -235.656
where: short stacking energy: -157.220
Base-Backbone interact. energy: -2.323
local terms energy: -319.093717
where:
bonds (distance) C4'-P energy: -84.723
bonds (distance) P-C4' energy: -90.449
flat angles C4'-P-C4' energy: -68.680
flat angles P-C4'-P energy: -50.442
tors. eta vs tors. theta energy: -24.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -502.436694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.436694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.436694 (E_RNA)
where:
Base-Base interactions energy: -215.604
where: short stacking energy: -163.169
Base-Backbone interact. energy: 2.094
local terms energy: -288.926340
where:
bonds (distance) C4'-P energy: -69.047
bonds (distance) P-C4' energy: -87.781
flat angles C4'-P-C4' energy: -76.064
flat angles P-C4'-P energy: -51.557
tors. eta vs tors. theta energy: -4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -431.062470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.062470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.062470 (E_RNA)
where:
Base-Base interactions energy: -164.492
where: short stacking energy: -141.170
Base-Backbone interact. energy: -0.176
local terms energy: -266.394471
where:
bonds (distance) C4'-P energy: -71.543
bonds (distance) P-C4' energy: -79.569
flat angles C4'-P-C4' energy: -70.767
flat angles P-C4'-P energy: -52.953
tors. eta vs tors. theta energy: 8.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -360.883486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.883486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.883486 (E_RNA)
where:
Base-Base interactions energy: -133.185
where: short stacking energy: -107.667
Base-Backbone interact. energy: 1.640
local terms energy: -229.339204
where:
bonds (distance) C4'-P energy: -68.389
bonds (distance) P-C4' energy: -81.457
flat angles C4'-P-C4' energy: -57.097
flat angles P-C4'-P energy: -53.623
tors. eta vs tors. theta energy: 31.228
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: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -340.669794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.669794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.669794 (E_RNA)
where:
Base-Base interactions energy: -106.967
where: short stacking energy: -91.235
Base-Backbone interact. energy: 0.091
local terms energy: -233.793279
where:
bonds (distance) C4'-P energy: -78.807
bonds (distance) P-C4' energy: -87.834
flat angles C4'-P-C4' energy: -64.425
flat angles P-C4'-P energy: -23.856
tors. eta vs tors. theta energy: 21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1179.672712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.672712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.672712 (E_RNA)
where:
Base-Base interactions energy: -709.718
where: short stacking energy: -426.006
Base-Backbone interact. energy: 0.818
local terms energy: -470.772302
where:
bonds (distance) C4'-P energy: -77.623
bonds (distance) P-C4' energy: -104.746
flat angles C4'-P-C4' energy: -112.571
flat angles P-C4'-P energy: -56.561
tors. eta vs tors. theta energy: -119.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1022.664553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.664553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.664553 (E_RNA)
where:
Base-Base interactions energy: -605.837
where: short stacking energy: -368.271
Base-Backbone interact. energy: -1.004
local terms energy: -415.824099
where:
bonds (distance) C4'-P energy: -79.602
bonds (distance) P-C4' energy: -97.866
flat angles C4'-P-C4' energy: -94.411
flat angles P-C4'-P energy: -54.848
tors. eta vs tors. theta energy: -89.097
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: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -942.816986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.816986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.816986 (E_RNA)
where:
Base-Base interactions energy: -506.252
where: short stacking energy: -331.361
Base-Backbone interact. energy: 0.939
local terms energy: -437.503934
where:
bonds (distance) C4'-P energy: -94.113
bonds (distance) P-C4' energy: -84.943
flat angles C4'-P-C4' energy: -103.159
flat angles P-C4'-P energy: -59.101
tors. eta vs tors. theta energy: -96.187
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: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -780.977985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.977985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.977985 (E_RNA)
where:
Base-Base interactions energy: -414.225
where: short stacking energy: -261.097
Base-Backbone interact. energy: -2.347
local terms energy: -364.405419
where:
bonds (distance) C4'-P energy: -84.809
bonds (distance) P-C4' energy: -79.300
flat angles C4'-P-C4' energy: -78.690
flat angles P-C4'-P energy: -56.425
tors. eta vs tors. theta energy: -65.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -647.853803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.853803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.853803 (E_RNA)
where:
Base-Base interactions energy: -312.979
where: short stacking energy: -207.949
Base-Backbone interact. energy: -0.895
local terms energy: -333.979354
where:
bonds (distance) C4'-P energy: -76.090
bonds (distance) P-C4' energy: -90.515
flat angles C4'-P-C4' energy: -83.126
flat angles P-C4'-P energy: -46.108
tors. eta vs tors. theta energy: -38.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -577.619838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.619838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.619838 (E_RNA)
where:
Base-Base interactions energy: -263.428
where: short stacking energy: -188.880
Base-Backbone interact. energy: 2.416
local terms energy: -316.607253
where:
bonds (distance) C4'-P energy: -83.223
bonds (distance) P-C4' energy: -82.624
flat angles C4'-P-C4' energy: -79.276
flat angles P-C4'-P energy: -41.763
tors. eta vs tors. theta energy: -29.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -525.517028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.517028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.517028 (E_RNA)
where:
Base-Base interactions energy: -226.165
where: short stacking energy: -166.573
Base-Backbone interact. energy: -1.281
local terms energy: -298.071137
where:
bonds (distance) C4'-P energy: -87.021
bonds (distance) P-C4' energy: -79.124
flat angles C4'-P-C4' energy: -70.977
flat angles P-C4'-P energy: -44.519
tors. eta vs tors. theta energy: -16.430
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: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -402.291286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.291286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.291286 (E_RNA)
where:
Base-Base interactions energy: -132.145
where: short stacking energy: -124.427
Base-Backbone interact. energy: 9.185
local terms energy: -279.330880
where:
bonds (distance) C4'-P energy: -79.090
bonds (distance) P-C4' energy: -86.554
flat angles C4'-P-C4' energy: -68.573
flat angles P-C4'-P energy: -47.400
tors. eta vs tors. theta energy: 2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -380.353139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.353139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.353139 (E_RNA)
where:
Base-Base interactions energy: -139.238
where: short stacking energy: -129.266
Base-Backbone interact. energy: 0.776
local terms energy: -241.891481
where:
bonds (distance) C4'-P energy: -61.635
bonds (distance) P-C4' energy: -90.693
flat angles C4'-P-C4' energy: -57.330
flat angles P-C4'-P energy: -36.232
tors. eta vs tors. theta energy: 3.998
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: 162
Temperature: 1.350000
Total energy: -356.452018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.452018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.452018 (E_RNA)
where:
Base-Base interactions energy: -126.004
where: short stacking energy: -112.064
Base-Backbone interact. energy: -0.318
local terms energy: -230.130893
where:
bonds (distance) C4'-P energy: -77.155
bonds (distance) P-C4' energy: -83.386
flat angles C4'-P-C4' energy: -53.562
flat angles P-C4'-P energy: -24.505
tors. eta vs tors. theta energy: 8.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1144.146465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.146465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.146465 (E_RNA)
where:
Base-Base interactions energy: -693.169
where: short stacking energy: -397.914
Base-Backbone interact. energy: 0.492
local terms energy: -451.469325
where:
bonds (distance) C4'-P energy: -97.068
bonds (distance) P-C4' energy: -83.069
flat angles C4'-P-C4' energy: -100.161
flat angles P-C4'-P energy: -55.473
tors. eta vs tors. theta energy: -115.698
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: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1071.777264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.777264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.777264 (E_RNA)
where:
Base-Base interactions energy: -632.481
where: short stacking energy: -402.187
Base-Backbone interact. energy: 0.404
local terms energy: -439.700377
where:
bonds (distance) C4'-P energy: -83.081
bonds (distance) P-C4' energy: -77.825
flat angles C4'-P-C4' energy: -97.927
flat angles P-C4'-P energy: -68.616
tors. eta vs tors. theta energy: -112.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -904.108032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.108032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.108032 (E_RNA)
where:
Base-Base interactions energy: -491.981
where: short stacking energy: -301.670
Base-Backbone interact. energy: 1.627
local terms energy: -413.754885
where:
bonds (distance) C4'-P energy: -100.197
bonds (distance) P-C4' energy: -68.634
flat angles C4'-P-C4' energy: -96.096
flat angles P-C4'-P energy: -67.113
tors. eta vs tors. theta energy: -81.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -771.548743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.548743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.548743 (E_RNA)
where:
Base-Base interactions energy: -392.925
where: short stacking energy: -253.930
Base-Backbone interact. energy: -3.298
local terms energy: -375.326656
where:
bonds (distance) C4'-P energy: -78.318
bonds (distance) P-C4' energy: -96.676
flat angles C4'-P-C4' energy: -94.673
flat angles P-C4'-P energy: -51.986
tors. eta vs tors. theta energy: -53.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -657.288183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.288183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.288183 (E_RNA)
where:
Base-Base interactions energy: -318.916
where: short stacking energy: -221.849
Base-Backbone interact. energy: -0.195
local terms energy: -338.176487
where:
bonds (distance) C4'-P energy: -94.348
bonds (distance) P-C4' energy: -78.793
flat angles C4'-P-C4' energy: -86.030
flat angles P-C4'-P energy: -41.248
tors. eta vs tors. theta energy: -37.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -573.255256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.255256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.255256 (E_RNA)
where:
Base-Base interactions energy: -295.544
where: short stacking energy: -184.340
Base-Backbone interact. energy: 2.517
local terms energy: -280.228622
where:
bonds (distance) C4'-P energy: -65.090
bonds (distance) P-C4' energy: -94.614
flat angles C4'-P-C4' energy: -64.138
flat angles P-C4'-P energy: -51.384
tors. eta vs tors. theta energy: -5.002
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: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -514.834752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.834752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.834752 (E_RNA)
where:
Base-Base interactions energy: -222.719
where: short stacking energy: -177.586
Base-Backbone interact. energy: 2.134
local terms energy: -294.249383
where:
bonds (distance) C4'-P energy: -76.803
bonds (distance) P-C4' energy: -94.303
flat angles C4'-P-C4' energy: -58.834
flat angles P-C4'-P energy: -53.169
tors. eta vs tors. theta energy: -11.140
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: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -418.268452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.268452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.268452 (E_RNA)
where:
Base-Base interactions energy: -157.268
where: short stacking energy: -137.458
Base-Backbone interact. energy: 2.559
local terms energy: -263.559182
where:
bonds (distance) C4'-P energy: -83.810
bonds (distance) P-C4' energy: -70.836
flat angles C4'-P-C4' energy: -73.813
flat angles P-C4'-P energy: -31.377
tors. eta vs tors. theta energy: -3.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -377.895162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.895162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.895162 (E_RNA)
where:
Base-Base interactions energy: -111.229
where: short stacking energy: -102.663
Base-Backbone interact. energy: -0.794
local terms energy: -265.872671
where:
bonds (distance) C4'-P energy: -68.833
bonds (distance) P-C4' energy: -90.466
flat angles C4'-P-C4' energy: -78.907
flat angles P-C4'-P energy: -29.796
tors. eta vs tors. theta energy: 2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -346.173811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.173811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.173811 (E_RNA)
where:
Base-Base interactions energy: -130.263
where: short stacking energy: -115.769
Base-Backbone interact. energy: -1.154
local terms energy: -214.757207
where:
bonds (distance) C4'-P energy: -58.755
bonds (distance) P-C4' energy: -89.200
flat angles C4'-P-C4' energy: -53.795
flat angles P-C4'-P energy: -27.427
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1147.411838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.411838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.411838 (E_RNA)
where:
Base-Base interactions energy: -651.259
where: short stacking energy: -418.148
Base-Backbone interact. energy: -0.709
local terms energy: -495.444605
where:
bonds (distance) C4'-P energy: -101.268
bonds (distance) P-C4' energy: -95.908
flat angles C4'-P-C4' energy: -103.417
flat angles P-C4'-P energy: -72.725
tors. eta vs tors. theta energy: -122.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1147.804206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.804206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.804206 (E_RNA)
where:
Base-Base interactions energy: -702.699
where: short stacking energy: -393.532
Base-Backbone interact. energy: 6.393
local terms energy: -451.498646
where:
bonds (distance) C4'-P energy: -84.722
bonds (distance) P-C4' energy: -85.078
flat angles C4'-P-C4' energy: -102.996
flat angles P-C4'-P energy: -69.498
tors. eta vs tors. theta energy: -109.204
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: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -986.060062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.060062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.060062 (E_RNA)
where:
Base-Base interactions energy: -588.839
where: short stacking energy: -341.884
Base-Backbone interact. energy: -2.834
local terms energy: -394.387095
where:
bonds (distance) C4'-P energy: -70.699
bonds (distance) P-C4' energy: -98.323
flat angles C4'-P-C4' energy: -86.823
flat angles P-C4'-P energy: -53.458
tors. eta vs tors. theta energy: -85.083
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: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -743.200711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.200711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.200711 (E_RNA)
where:
Base-Base interactions energy: -358.154
where: short stacking energy: -236.375
Base-Backbone interact. energy: 2.196
local terms energy: -387.242918
where:
bonds (distance) C4'-P energy: -85.923
bonds (distance) P-C4' energy: -96.106
flat angles C4'-P-C4' energy: -83.224
flat angles P-C4'-P energy: -62.073
tors. eta vs tors. theta energy: -59.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -674.537016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.537016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.537016 (E_RNA)
where:
Base-Base interactions energy: -325.314
where: short stacking energy: -219.153
Base-Backbone interact. energy: 1.025
local terms energy: -350.248035
where:
bonds (distance) C4'-P energy: -86.803
bonds (distance) P-C4' energy: -101.400
flat angles C4'-P-C4' energy: -81.909
flat angles P-C4'-P energy: -44.361
tors. eta vs tors. theta energy: -35.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -536.756692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.756692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.756692 (E_RNA)
where:
Base-Base interactions energy: -229.014
where: short stacking energy: -181.841
Base-Backbone interact. energy: 2.667
local terms energy: -310.409349
where:
bonds (distance) C4'-P energy: -83.725
bonds (distance) P-C4' energy: -88.123
flat angles C4'-P-C4' energy: -82.295
flat angles P-C4'-P energy: -36.463
tors. eta vs tors. theta energy: -19.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -513.029110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.029110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.029110 (E_RNA)
where:
Base-Base interactions energy: -211.819
where: short stacking energy: -158.636
Base-Backbone interact. energy: 3.033
local terms energy: -304.243996
where:
bonds (distance) C4'-P energy: -76.497
bonds (distance) P-C4' energy: -84.459
flat angles C4'-P-C4' energy: -92.739
flat angles P-C4'-P energy: -36.493
tors. eta vs tors. theta energy: -14.055
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: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -422.721555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.721555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.721555 (E_RNA)
where:
Base-Base interactions energy: -147.624
where: short stacking energy: -125.580
Base-Backbone interact. energy: -0.746
local terms energy: -274.351447
where:
bonds (distance) C4'-P energy: -79.396
bonds (distance) P-C4' energy: -88.799
flat angles C4'-P-C4' energy: -69.653
flat angles P-C4'-P energy: -33.917
tors. eta vs tors. theta energy: -2.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -411.948580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.948580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.948580 (E_RNA)
where:
Base-Base interactions energy: -137.198
where: short stacking energy: -133.164
Base-Backbone interact. energy: -1.658
local terms energy: -273.092722
where:
bonds (distance) C4'-P energy: -65.279
bonds (distance) P-C4' energy: -74.869
flat angles C4'-P-C4' energy: -81.971
flat angles P-C4'-P energy: -46.633
tors. eta vs tors. theta energy: -4.340
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: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -353.727994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.727994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.727994 (E_RNA)
where:
Base-Base interactions energy: -115.586
where: short stacking energy: -105.570
Base-Backbone interact. energy: -2.065
local terms energy: -236.077710
where:
bonds (distance) C4'-P energy: -78.178
bonds (distance) P-C4' energy: -72.722
flat angles C4'-P-C4' energy: -56.636
flat angles P-C4'-P energy: -49.116
tors. eta vs tors. theta energy: 20.574
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1111.940543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.940543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.940543 (E_RNA)
where:
Base-Base interactions energy: -653.547
where: short stacking energy: -420.910
Base-Backbone interact. energy: -1.037
local terms energy: -457.357256
where:
bonds (distance) C4'-P energy: -91.343
bonds (distance) P-C4' energy: -93.948
flat angles C4'-P-C4' energy: -101.824
flat angles P-C4'-P energy: -49.203
tors. eta vs tors. theta energy: -121.040
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: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1163.121234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.121234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.121234 (E_RNA)
where:
Base-Base interactions energy: -701.435
where: short stacking energy: -399.763
Base-Backbone interact. energy: -1.362
local terms energy: -460.324713
where:
bonds (distance) C4'-P energy: -88.766
bonds (distance) P-C4' energy: -94.765
flat angles C4'-P-C4' energy: -101.415
flat angles P-C4'-P energy: -64.652
tors. eta vs tors. theta energy: -110.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -978.631227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.631227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.631227 (E_RNA)
where:
Base-Base interactions energy: -552.373
where: short stacking energy: -340.843
Base-Backbone interact. energy: -0.487
local terms energy: -425.771240
where:
bonds (distance) C4'-P energy: -92.708
bonds (distance) P-C4' energy: -86.371
flat angles C4'-P-C4' energy: -94.544
flat angles P-C4'-P energy: -62.224
tors. eta vs tors. theta energy: -89.923
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: 4, replica: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -823.243980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.243980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.243980 (E_RNA)
where:
Base-Base interactions energy: -419.847
where: short stacking energy: -267.476
Base-Backbone interact. energy: -1.719
local terms energy: -401.678095
where:
bonds (distance) C4'-P energy: -93.911
bonds (distance) P-C4' energy: -91.100
flat angles C4'-P-C4' energy: -88.782
flat angles P-C4'-P energy: -61.437
tors. eta vs tors. theta energy: -66.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -639.406773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.406773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.406773 (E_RNA)
where:
Base-Base interactions energy: -315.826
where: short stacking energy: -233.607
Base-Backbone interact. energy: -2.204
local terms energy: -321.377445
where:
bonds (distance) C4'-P energy: -79.963
bonds (distance) P-C4' energy: -73.719
flat angles C4'-P-C4' energy: -85.931
flat angles P-C4'-P energy: -37.707
tors. eta vs tors. theta energy: -44.057
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: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -561.109474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.109474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.109474 (E_RNA)
where:
Base-Base interactions energy: -253.890
where: short stacking energy: -194.664
Base-Backbone interact. energy: 2.005
local terms energy: -309.224042
where:
bonds (distance) C4'-P energy: -84.201
bonds (distance) P-C4' energy: -87.714
flat angles C4'-P-C4' energy: -60.440
flat angles P-C4'-P energy: -49.179
tors. eta vs tors. theta energy: -27.690
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: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -521.252535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.252535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.252535 (E_RNA)
where:
Base-Base interactions energy: -205.897
where: short stacking energy: -152.193
Base-Backbone interact. energy: -2.626
local terms energy: -312.729430
where:
bonds (distance) C4'-P energy: -79.668
bonds (distance) P-C4' energy: -99.957
flat angles C4'-P-C4' energy: -75.349
flat angles P-C4'-P energy: -49.646
tors. eta vs tors. theta energy: -8.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -401.900579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.900579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.900579 (E_RNA)
where:
Base-Base interactions energy: -137.334
where: short stacking energy: -119.514
Base-Backbone interact. energy: -1.375
local terms energy: -263.191506
where:
bonds (distance) C4'-P energy: -72.221
bonds (distance) P-C4' energy: -78.451
flat angles C4'-P-C4' energy: -63.643
flat angles P-C4'-P energy: -36.435
tors. eta vs tors. theta energy: -12.440
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: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -385.048321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.048321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.048321 (E_RNA)
where:
Base-Base interactions energy: -120.325
where: short stacking energy: -106.721
Base-Backbone interact. energy: 1.117
local terms energy: -265.840961
where:
bonds (distance) C4'-P energy: -76.361
bonds (distance) P-C4' energy: -88.486
flat angles C4'-P-C4' energy: -64.357
flat angles P-C4'-P energy: -43.860
tors. eta vs tors. theta energy: 7.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -352.458788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.458788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.458788 (E_RNA)
where:
Base-Base interactions energy: -112.290
where: short stacking energy: -108.359
Base-Backbone interact. energy: 0.755
local terms energy: -240.924471
where:
bonds (distance) C4'-P energy: -80.911
bonds (distance) P-C4' energy: -84.782
flat angles C4'-P-C4' energy: -54.629
flat angles P-C4'-P energy: -31.431
tors. eta vs tors. theta energy: 10.828
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1230.356077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.356077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.356077 (E_RNA)
where:
Base-Base interactions energy: -750.715
where: short stacking energy: -418.910
Base-Backbone interact. energy: -0.152
local terms energy: -479.489620
where:
bonds (distance) C4'-P energy: -93.933
bonds (distance) P-C4' energy: -92.096
flat angles C4'-P-C4' energy: -104.005
flat angles P-C4'-P energy: -70.066
tors. eta vs tors. theta energy: -119.390
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: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1081.828994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.828994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.828994 (E_RNA)
where:
Base-Base interactions energy: -607.429
where: short stacking energy: -376.303
Base-Backbone interact. energy: -0.443
local terms energy: -473.957244
where:
bonds (distance) C4'-P energy: -99.856
bonds (distance) P-C4' energy: -90.485
flat angles C4'-P-C4' energy: -106.040
flat angles P-C4'-P energy: -65.383
tors. eta vs tors. theta energy: -112.193
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: 3, replica: 3
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1009.982740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.982740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.982740 (E_RNA)
where:
Base-Base interactions energy: -572.931
where: short stacking energy: -350.261
Base-Backbone interact. energy: 0.640
local terms energy: -437.691951
where:
bonds (distance) C4'-P energy: -84.822
bonds (distance) P-C4' energy: -93.835
flat angles C4'-P-C4' energy: -90.128
flat angles P-C4'-P energy: -60.904
tors. eta vs tors. theta energy: -108.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -775.191816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.191816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.191816 (E_RNA)
where:
Base-Base interactions energy: -389.338
where: short stacking energy: -268.998
Base-Backbone interact. energy: 0.088
local terms energy: -385.941296
where:
bonds (distance) C4'-P energy: -81.806
bonds (distance) P-C4' energy: -86.178
flat angles C4'-P-C4' energy: -95.299
flat angles P-C4'-P energy: -54.509
tors. eta vs tors. theta energy: -68.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -635.426386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.426386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.426386 (E_RNA)
where:
Base-Base interactions energy: -303.217
where: short stacking energy: -205.391
Base-Backbone interact. energy: 1.299
local terms energy: -333.508023
where:
bonds (distance) C4'-P energy: -87.247
bonds (distance) P-C4' energy: -83.523
flat angles C4'-P-C4' energy: -73.892
flat angles P-C4'-P energy: -49.874
tors. eta vs tors. theta energy: -38.972
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: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -597.051262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.051262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.051262 (E_RNA)
where:
Base-Base interactions energy: -266.525
where: short stacking energy: -186.662
Base-Backbone interact. energy: -1.021
local terms energy: -329.504436
where:
bonds (distance) C4'-P energy: -88.408
bonds (distance) P-C4' energy: -83.836
flat angles C4'-P-C4' energy: -75.013
flat angles P-C4'-P energy: -45.693
tors. eta vs tors. theta energy: -36.554
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: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -462.207812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.207812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.207812 (E_RNA)
where:
Base-Base interactions energy: -165.567
where: short stacking energy: -135.395
Base-Backbone interact. energy: -0.345
local terms energy: -296.296153
where:
bonds (distance) C4'-P energy: -77.429
bonds (distance) P-C4' energy: -90.311
flat angles C4'-P-C4' energy: -67.070
flat angles P-C4'-P energy: -42.355
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -410.288961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.288961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.288961 (E_RNA)
where:
Base-Base interactions energy: -124.542
where: short stacking energy: -111.269
Base-Backbone interact. energy: -1.073
local terms energy: -284.674570
where:
bonds (distance) C4'-P energy: -70.731
bonds (distance) P-C4' energy: -84.297
flat angles C4'-P-C4' energy: -79.241
flat angles P-C4'-P energy: -53.971
tors. eta vs tors. theta energy: 3.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -387.534061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.534061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.534061 (E_RNA)
where:
Base-Base interactions energy: -137.903
where: short stacking energy: -128.022
Base-Backbone interact. energy: 3.693
local terms energy: -253.324409
where:
bonds (distance) C4'-P energy: -70.225
bonds (distance) P-C4' energy: -82.649
flat angles C4'-P-C4' energy: -71.194
flat angles P-C4'-P energy: -31.688
tors. eta vs tors. theta energy: 2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -367.388845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.388845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.388845 (E_RNA)
where:
Base-Base interactions energy: -117.307
where: short stacking energy: -101.672
Base-Backbone interact. energy: -1.230
local terms energy: -248.851464
where:
bonds (distance) C4'-P energy: -74.904
bonds (distance) P-C4' energy: -86.040
flat angles C4'-P-C4' energy: -53.121
flat angles P-C4'-P energy: -54.935
tors. eta vs tors. theta energy: 20.148
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1202.282786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.282786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.282786 (E_RNA)
where:
Base-Base interactions energy: -725.462
where: short stacking energy: -439.570
Base-Backbone interact. energy: 1.813
local terms energy: -478.633116
where:
bonds (distance) C4'-P energy: -90.880
bonds (distance) P-C4' energy: -87.870
flat angles C4'-P-C4' energy: -103.482
flat angles P-C4'-P energy: -66.876
tors. eta vs tors. theta energy: -129.525
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: 8
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1107.794014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.794014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.794014 (E_RNA)
where:
Base-Base interactions energy: -637.708
where: short stacking energy: -408.434
Base-Backbone interact. energy: -1.022
local terms energy: -469.063889
where:
bonds (distance) C4'-P energy: -90.826
bonds (distance) P-C4' energy: -99.083
flat angles C4'-P-C4' energy: -101.110
flat angles P-C4'-P energy: -53.450
tors. eta vs tors. theta energy: -124.595
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: 3
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1013.983624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.983624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.983624 (E_RNA)
where:
Base-Base interactions energy: -591.086
where: short stacking energy: -333.350
Base-Backbone interact. energy: -1.197
local terms energy: -421.700752
where:
bonds (distance) C4'-P energy: -76.078
bonds (distance) P-C4' energy: -86.851
flat angles C4'-P-C4' energy: -99.770
flat angles P-C4'-P energy: -59.631
tors. eta vs tors. theta energy: -99.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -798.262184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.262184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.262184 (E_RNA)
where:
Base-Base interactions energy: -422.452
where: short stacking energy: -286.551
Base-Backbone interact. energy: -0.504
local terms energy: -375.306080
where:
bonds (distance) C4'-P energy: -77.334
bonds (distance) P-C4' energy: -85.811
flat angles C4'-P-C4' energy: -99.212
flat angles P-C4'-P energy: -47.529
tors. eta vs tors. theta energy: -65.421
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: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -637.991858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.991858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.991858 (E_RNA)
where:
Base-Base interactions energy: -304.860
where: short stacking energy: -208.951
Base-Backbone interact. energy: -1.004
local terms energy: -332.127733
where:
bonds (distance) C4'-P energy: -76.249
bonds (distance) P-C4' energy: -92.576
flat angles C4'-P-C4' energy: -89.233
flat angles P-C4'-P energy: -43.602
tors. eta vs tors. theta energy: -30.468
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: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -563.927872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.927872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.927872 (E_RNA)
where:
Base-Base interactions energy: -266.092
where: short stacking energy: -196.170
Base-Backbone interact. energy: 1.389
local terms energy: -299.224776
where:
bonds (distance) C4'-P energy: -80.958
bonds (distance) P-C4' energy: -84.911
flat angles C4'-P-C4' energy: -68.581
flat angles P-C4'-P energy: -43.311
tors. eta vs tors. theta energy: -21.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -485.070862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.070862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.070862 (E_RNA)
where:
Base-Base interactions energy: -187.583
where: short stacking energy: -163.406
Base-Backbone interact. energy: 9.068
local terms energy: -306.555323
where:
bonds (distance) C4'-P energy: -77.076
bonds (distance) P-C4' energy: -86.951
flat angles C4'-P-C4' energy: -68.863
flat angles P-C4'-P energy: -50.890
tors. eta vs tors. theta energy: -22.775
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: 8, replica: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -404.304707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.304707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.304707 (E_RNA)
where:
Base-Base interactions energy: -145.199
where: short stacking energy: -114.173
Base-Backbone interact. energy: 4.601
local terms energy: -263.706468
where:
bonds (distance) C4'-P energy: -89.588
bonds (distance) P-C4' energy: -77.677
flat angles C4'-P-C4' energy: -63.482
flat angles P-C4'-P energy: -38.505
tors. eta vs tors. theta energy: 5.546
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: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -377.788725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.788725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.788725 (E_RNA)
where:
Base-Base interactions energy: -125.537
where: short stacking energy: -93.194
Base-Backbone interact. energy: 0.115
local terms energy: -252.367429
where:
bonds (distance) C4'-P energy: -77.537
bonds (distance) P-C4' energy: -87.981
flat angles C4'-P-C4' energy: -72.712
flat angles P-C4'-P energy: -24.172
tors. eta vs tors. theta energy: 10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -340.513649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.513649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.513649 (E_RNA)
where:
Base-Base interactions energy: -123.046
where: short stacking energy: -97.914
Base-Backbone interact. energy: 0.668
local terms energy: -218.135508
where:
bonds (distance) C4'-P energy: -72.523
bonds (distance) P-C4' energy: -73.295
flat angles C4'-P-C4' energy: -62.289
flat angles P-C4'-P energy: -44.155
tors. eta vs tors. theta energy: 34.127
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1207.743521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.743521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.743521 (E_RNA)
where:
Base-Base interactions energy: -714.283
where: short stacking energy: -432.659
Base-Backbone interact. energy: -1.111
local terms energy: -492.349011
where:
bonds (distance) C4'-P energy: -93.290
bonds (distance) P-C4' energy: -100.289
flat angles C4'-P-C4' energy: -104.044
flat angles P-C4'-P energy: -64.175
tors. eta vs tors. theta energy: -130.551
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: 2, replica: 8
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1084.623372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.623372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.623372 (E_RNA)
where:
Base-Base interactions energy: -626.464
where: short stacking energy: -398.594
Base-Backbone interact. energy: -0.497
local terms energy: -457.662965
where:
bonds (distance) C4'-P energy: -89.483
bonds (distance) P-C4' energy: -95.206
flat angles C4'-P-C4' energy: -99.420
flat angles P-C4'-P energy: -58.948
tors. eta vs tors. theta energy: -114.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -934.859958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.859958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.859958 (E_RNA)
where:
Base-Base interactions energy: -549.678
where: short stacking energy: -324.346
Base-Backbone interact. energy: 1.348
local terms energy: -386.530063
where:
bonds (distance) C4'-P energy: -81.032
bonds (distance) P-C4' energy: -88.367
flat angles C4'-P-C4' energy: -85.615
flat angles P-C4'-P energy: -49.636
tors. eta vs tors. theta energy: -81.879
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: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -735.060391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.060391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.060391 (E_RNA)
where:
Base-Base interactions energy: -369.356
where: short stacking energy: -241.636
Base-Backbone interact. energy: 0.199
local terms energy: -365.903929
where:
bonds (distance) C4'-P energy: -84.883
bonds (distance) P-C4' energy: -83.080
flat angles C4'-P-C4' energy: -87.714
flat angles P-C4'-P energy: -48.053
tors. eta vs tors. theta energy: -62.175
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: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -650.720690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.720690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.720690 (E_RNA)
where:
Base-Base interactions energy: -313.112
where: short stacking energy: -218.437
Base-Backbone interact. energy: -3.078
local terms energy: -334.530767
where:
bonds (distance) C4'-P energy: -79.714
bonds (distance) P-C4' energy: -80.851
flat angles C4'-P-C4' energy: -80.259
flat angles P-C4'-P energy: -51.990
tors. eta vs tors. theta energy: -41.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -578.436117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.436117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.436117 (E_RNA)
where:
Base-Base interactions energy: -252.552
where: short stacking energy: -165.247
Base-Backbone interact. energy: 0.322
local terms energy: -326.206313
where:
bonds (distance) C4'-P energy: -92.103
bonds (distance) P-C4' energy: -80.649
flat angles C4'-P-C4' energy: -85.480
flat angles P-C4'-P energy: -39.471
tors. eta vs tors. theta energy: -28.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -443.764948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.764948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.764948 (E_RNA)
where:
Base-Base interactions energy: -148.564
where: short stacking energy: -145.735
Base-Backbone interact. energy: 0.864
local terms energy: -296.065015
where:
bonds (distance) C4'-P energy: -86.402
bonds (distance) P-C4' energy: -81.468
flat angles C4'-P-C4' energy: -67.533
flat angles P-C4'-P energy: -43.001
tors. eta vs tors. theta energy: -17.660
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: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -418.740670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.740670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.740670 (E_RNA)
where:
Base-Base interactions energy: -154.835
where: short stacking energy: -130.381
Base-Backbone interact. energy: 0.933
local terms energy: -264.837841
where:
bonds (distance) C4'-P energy: -71.312
bonds (distance) P-C4' energy: -78.718
flat angles C4'-P-C4' energy: -69.921
flat angles P-C4'-P energy: -32.804
tors. eta vs tors. theta energy: -12.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -390.509599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.509599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.509599 (E_RNA)
where:
Base-Base interactions energy: -118.125
where: short stacking energy: -108.701
Base-Backbone interact. energy: 0.307
local terms energy: -272.691607
where:
bonds (distance) C4'-P energy: -78.055
bonds (distance) P-C4' energy: -85.273
flat angles C4'-P-C4' energy: -76.112
flat angles P-C4'-P energy: -39.852
tors. eta vs tors. theta energy: 6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -344.928306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.928306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.928306 (E_RNA)
where:
Base-Base interactions energy: -120.216
where: short stacking energy: -104.914
Base-Backbone interact. energy: 2.301
local terms energy: -227.013981
where:
bonds (distance) C4'-P energy: -60.145
bonds (distance) P-C4' energy: -81.619
flat angles C4'-P-C4' energy: -63.063
flat angles P-C4'-P energy: -35.307
tors. eta vs tors. theta energy: 13.120
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1195.361667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.361667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.361667 (E_RNA)
where:
Base-Base interactions energy: -714.122
where: short stacking energy: -409.661
Base-Backbone interact. energy: 0.790
local terms energy: -482.029508
where:
bonds (distance) C4'-P energy: -89.686
bonds (distance) P-C4' energy: -90.213
flat angles C4'-P-C4' energy: -109.070
flat angles P-C4'-P energy: -68.452
tors. eta vs tors. theta energy: -124.609
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: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1093.801739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.801739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.801739 (E_RNA)
where:
Base-Base interactions energy: -640.665
where: short stacking energy: -395.667
Base-Backbone interact. energy: -0.563
local terms energy: -452.573906
where:
bonds (distance) C4'-P energy: -83.899
bonds (distance) P-C4' energy: -91.612
flat angles C4'-P-C4' energy: -103.686
flat angles P-C4'-P energy: -53.139
tors. eta vs tors. theta energy: -120.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -970.787510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.787510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.787510 (E_RNA)
where:
Base-Base interactions energy: -539.926
where: short stacking energy: -338.666
Base-Backbone interact. energy: -0.642
local terms energy: -430.219418
where:
bonds (distance) C4'-P energy: -91.401
bonds (distance) P-C4' energy: -89.821
flat angles C4'-P-C4' energy: -97.126
flat angles P-C4'-P energy: -64.739
tors. eta vs tors. theta energy: -87.132
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: 4, replica: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -783.781351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.781351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.781351 (E_RNA)
where:
Base-Base interactions energy: -392.401
where: short stacking energy: -255.938
Base-Backbone interact. energy: 1.498
local terms energy: -392.878900
where:
bonds (distance) C4'-P energy: -93.531
bonds (distance) P-C4' energy: -88.473
flat angles C4'-P-C4' energy: -83.784
flat angles P-C4'-P energy: -60.618
tors. eta vs tors. theta energy: -66.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -611.458157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.458157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.458157 (E_RNA)
where:
Base-Base interactions energy: -269.582
where: short stacking energy: -183.933
Base-Backbone interact. energy: 0.359
local terms energy: -342.235284
where:
bonds (distance) C4'-P energy: -89.525
bonds (distance) P-C4' energy: -92.196
flat angles C4'-P-C4' energy: -79.594
flat angles P-C4'-P energy: -64.509
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -535.167998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.167998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.167998 (E_RNA)
where:
Base-Base interactions energy: -230.849
where: short stacking energy: -176.071
Base-Backbone interact. energy: 0.072
local terms energy: -304.390784
where:
bonds (distance) C4'-P energy: -73.198
bonds (distance) P-C4' energy: -73.018
flat angles C4'-P-C4' energy: -80.889
flat angles P-C4'-P energy: -52.847
tors. eta vs tors. theta energy: -24.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -472.194244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.194244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.194244 (E_RNA)
where:
Base-Base interactions energy: -185.518
where: short stacking energy: -156.814
Base-Backbone interact. energy: -0.011
local terms energy: -286.665301
where:
bonds (distance) C4'-P energy: -74.119
bonds (distance) P-C4' energy: -86.086
flat angles C4'-P-C4' energy: -73.474
flat angles P-C4'-P energy: -40.813
tors. eta vs tors. theta energy: -12.174
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: 8, replica: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -409.653270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.653270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.653270 (E_RNA)
where:
Base-Base interactions energy: -145.855
where: short stacking energy: -135.937
Base-Backbone interact. energy: 5.203
local terms energy: -269.001314
where:
bonds (distance) C4'-P energy: -65.320
bonds (distance) P-C4' energy: -74.470
flat angles C4'-P-C4' energy: -68.641
flat angles P-C4'-P energy: -47.413
tors. eta vs tors. theta energy: -13.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -389.095127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.095127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.095127 (E_RNA)
where:
Base-Base interactions energy: -128.104
where: short stacking energy: -112.924
Base-Backbone interact. energy: 2.861
local terms energy: -263.852339
where:
bonds (distance) C4'-P energy: -90.661
bonds (distance) P-C4' energy: -73.938
flat angles C4'-P-C4' energy: -57.926
flat angles P-C4'-P energy: -46.810
tors. eta vs tors. theta energy: 5.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -343.436657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.436657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.436657 (E_RNA)
where:
Base-Base interactions energy: -111.022
where: short stacking energy: -95.161
Base-Backbone interact. energy: -3.248
local terms energy: -229.166194
where:
bonds (distance) C4'-P energy: -66.542
bonds (distance) P-C4' energy: -72.445
flat angles C4'-P-C4' energy: -59.421
flat angles P-C4'-P energy: -43.066
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1200.415984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.415984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.415984 (E_RNA)
where:
Base-Base interactions energy: -704.135
where: short stacking energy: -431.609
Base-Backbone interact. energy: -1.278
local terms energy: -495.002873
where:
bonds (distance) C4'-P energy: -105.631
bonds (distance) P-C4' energy: -93.310
flat angles C4'-P-C4' energy: -104.947
flat angles P-C4'-P energy: -63.595
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: 2, replica: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1060.135815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.135815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.135815 (E_RNA)
where:
Base-Base interactions energy: -593.554
where: short stacking energy: -358.592
Base-Backbone interact. energy: -0.672
local terms energy: -465.910555
where:
bonds (distance) C4'-P energy: -86.902
bonds (distance) P-C4' energy: -93.837
flat angles C4'-P-C4' energy: -100.093
flat angles P-C4'-P energy: -72.803
tors. eta vs tors. theta energy: -112.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -940.351544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.351544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.351544 (E_RNA)
where:
Base-Base interactions energy: -507.117
where: short stacking energy: -326.618
Base-Backbone interact. energy: 1.022
local terms energy: -434.255919
where:
bonds (distance) C4'-P energy: -92.807
bonds (distance) P-C4' energy: -90.455
flat angles C4'-P-C4' energy: -96.080
flat angles P-C4'-P energy: -64.915
tors. eta vs tors. theta energy: -89.999
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: 4, replica: 1
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -763.109344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.109344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.109344 (E_RNA)
where:
Base-Base interactions energy: -382.256
where: short stacking energy: -246.013
Base-Backbone interact. energy: -0.907
local terms energy: -379.946485
where:
bonds (distance) C4'-P energy: -89.569
bonds (distance) P-C4' energy: -93.871
flat angles C4'-P-C4' energy: -91.657
flat angles P-C4'-P energy: -50.894
tors. eta vs tors. theta energy: -53.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -650.434587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.434587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.434587 (E_RNA)
where:
Base-Base interactions energy: -324.619
where: short stacking energy: -198.850
Base-Backbone interact. energy: -0.015
local terms energy: -325.799919
where:
bonds (distance) C4'-P energy: -77.191
bonds (distance) P-C4' energy: -77.841
flat angles C4'-P-C4' energy: -83.560
flat angles P-C4'-P energy: -54.932
tors. eta vs tors. theta energy: -32.276
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: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -543.797596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.797596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.797596 (E_RNA)
where:
Base-Base interactions energy: -224.064
where: short stacking energy: -156.271
Base-Backbone interact. energy: -1.324
local terms energy: -318.409295
where:
bonds (distance) C4'-P energy: -86.683
bonds (distance) P-C4' energy: -85.279
flat angles C4'-P-C4' energy: -88.289
flat angles P-C4'-P energy: -47.260
tors. eta vs tors. theta energy: -10.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -454.556367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.556367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.556367 (E_RNA)
where:
Base-Base interactions energy: -156.152
where: short stacking energy: -130.745
Base-Backbone interact. energy: -0.615
local terms energy: -297.788918
where:
bonds (distance) C4'-P energy: -88.367
bonds (distance) P-C4' energy: -83.674
flat angles C4'-P-C4' energy: -76.570
flat angles P-C4'-P energy: -41.217
tors. eta vs tors. theta energy: -7.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -421.190865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.190865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.190865 (E_RNA)
where:
Base-Base interactions energy: -127.862
where: short stacking energy: -109.570
Base-Backbone interact. energy: 0.595
local terms energy: -293.924534
where:
bonds (distance) C4'-P energy: -83.317
bonds (distance) P-C4' energy: -89.872
flat angles C4'-P-C4' energy: -80.140
flat angles P-C4'-P energy: -43.997
tors. eta vs tors. theta energy: 3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -381.492805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.492805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.492805 (E_RNA)
where:
Base-Base interactions energy: -114.796
where: short stacking energy: -101.687
Base-Backbone interact. energy: -0.312
local terms energy: -266.384997
where:
bonds (distance) C4'-P energy: -79.789
bonds (distance) P-C4' energy: -75.771
flat angles C4'-P-C4' energy: -72.586
flat angles P-C4'-P energy: -42.977
tors. eta vs tors. theta energy: 4.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -343.974030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.974030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.974030 (E_RNA)
where:
Base-Base interactions energy: -95.594
where: short stacking energy: -81.465
Base-Backbone interact. energy: -2.630
local terms energy: -245.749485
where:
bonds (distance) C4'-P energy: -71.525
bonds (distance) P-C4' energy: -79.468
flat angles C4'-P-C4' energy: -74.393
flat angles P-C4'-P energy: -38.672
tors. eta vs tors. theta energy: 18.309
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1217.574759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.574759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.574759 (E_RNA)
where:
Base-Base interactions energy: -729.475
where: short stacking energy: -430.520
Base-Backbone interact. energy: -0.608
local terms energy: -487.491504
where:
bonds (distance) C4'-P energy: -98.537
bonds (distance) P-C4' energy: -99.244
flat angles C4'-P-C4' energy: -102.401
flat angles P-C4'-P energy: -63.389
tors. eta vs tors. theta energy: -123.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1094.947672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.947672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.947672 (E_RNA)
where:
Base-Base interactions energy: -612.304
where: short stacking energy: -396.236
Base-Backbone interact. energy: -1.421
local terms energy: -481.223210
where:
bonds (distance) C4'-P energy: -95.434
bonds (distance) P-C4' energy: -96.866
flat angles C4'-P-C4' energy: -102.166
flat angles P-C4'-P energy: -71.445
tors. eta vs tors. theta energy: -115.311
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: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -916.651338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.651338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.651338 (E_RNA)
where:
Base-Base interactions energy: -487.973
where: short stacking energy: -324.724
Base-Backbone interact. energy: 0.257
local terms energy: -428.935358
where:
bonds (distance) C4'-P energy: -94.852
bonds (distance) P-C4' energy: -76.500
flat angles C4'-P-C4' energy: -98.534
flat angles P-C4'-P energy: -73.569
tors. eta vs tors. theta energy: -85.481
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: 1
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -748.071845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.071845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.071845 (E_RNA)
where:
Base-Base interactions energy: -380.243
where: short stacking energy: -278.919
Base-Backbone interact. energy: 0.480
local terms energy: -368.309233
where:
bonds (distance) C4'-P energy: -74.642
bonds (distance) P-C4' energy: -97.348
flat angles C4'-P-C4' energy: -77.855
flat angles P-C4'-P energy: -52.940
tors. eta vs tors. theta energy: -65.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -659.826643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.826643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.826643 (E_RNA)
where:
Base-Base interactions energy: -312.140
where: short stacking energy: -216.605
Base-Backbone interact. energy: -0.126
local terms energy: -347.561068
where:
bonds (distance) C4'-P energy: -94.095
bonds (distance) P-C4' energy: -86.906
flat angles C4'-P-C4' energy: -66.266
flat angles P-C4'-P energy: -55.649
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: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -562.897077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.897077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.897077 (E_RNA)
where:
Base-Base interactions energy: -252.208
where: short stacking energy: -185.801
Base-Backbone interact. energy: -2.098
local terms energy: -308.591324
where:
bonds (distance) C4'-P energy: -65.147
bonds (distance) P-C4' energy: -83.738
flat angles C4'-P-C4' energy: -85.366
flat angles P-C4'-P energy: -50.422
tors. eta vs tors. theta energy: -23.918
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: 9
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -499.759820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.759820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.759820 (E_RNA)
where:
Base-Base interactions energy: -198.860
where: short stacking energy: -150.368
Base-Backbone interact. energy: -1.194
local terms energy: -299.705930
where:
bonds (distance) C4'-P energy: -83.078
bonds (distance) P-C4' energy: -92.156
flat angles C4'-P-C4' energy: -79.618
flat angles P-C4'-P energy: -35.613
tors. eta vs tors. theta energy: -9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -417.986851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.986851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.986851 (E_RNA)
where:
Base-Base interactions energy: -141.786
where: short stacking energy: -125.184
Base-Backbone interact. energy: 1.040
local terms energy: -277.240913
where:
bonds (distance) C4'-P energy: -95.872
bonds (distance) P-C4' energy: -77.451
flat angles C4'-P-C4' energy: -64.735
flat angles P-C4'-P energy: -41.427
tors. eta vs tors. theta energy: 2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -366.255218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.255218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.255218 (E_RNA)
where:
Base-Base interactions energy: -103.106
where: short stacking energy: -98.879
Base-Backbone interact. energy: 3.621
local terms energy: -266.769910
where:
bonds (distance) C4'-P energy: -70.447
bonds (distance) P-C4' energy: -90.216
flat angles C4'-P-C4' energy: -84.273
flat angles P-C4'-P energy: -34.530
tors. eta vs tors. theta energy: 12.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -384.044679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.044679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.044679 (E_RNA)
where:
Base-Base interactions energy: -122.970
where: short stacking energy: -111.751
Base-Backbone interact. energy: 1.730
local terms energy: -262.805097
where:
bonds (distance) C4'-P energy: -82.836
bonds (distance) P-C4' energy: -86.986
flat angles C4'-P-C4' energy: -54.119
flat angles P-C4'-P energy: -49.550
tors. eta vs tors. theta energy: 10.686
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1244.083523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.083523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.083523 (E_RNA)
where:
Base-Base interactions energy: -744.643
where: short stacking energy: -420.188
Base-Backbone interact. energy: -2.219
local terms energy: -497.221229
where:
bonds (distance) C4'-P energy: -89.619
bonds (distance) P-C4' energy: -101.526
flat angles C4'-P-C4' energy: -106.256
flat angles P-C4'-P energy: -71.039
tors. eta vs tors. theta energy: -128.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1034.165739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.165739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.165739 (E_RNA)
where:
Base-Base interactions energy: -565.123
where: short stacking energy: -365.807
Base-Backbone interact. energy: 0.887
local terms energy: -469.929863
where:
bonds (distance) C4'-P energy: -86.014
bonds (distance) P-C4' energy: -97.326
flat angles C4'-P-C4' energy: -105.796
flat angles P-C4'-P energy: -65.718
tors. eta vs tors. theta energy: -115.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -943.805177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.805177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.805177 (E_RNA)
where:
Base-Base interactions energy: -524.487
where: short stacking energy: -337.030
Base-Backbone interact. energy: -0.571
local terms energy: -418.747406
where:
bonds (distance) C4'-P energy: -90.965
bonds (distance) P-C4' energy: -87.707
flat angles C4'-P-C4' energy: -93.781
flat angles P-C4'-P energy: -53.021
tors. eta vs tors. theta energy: -93.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -740.515038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.515038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.515038 (E_RNA)
where:
Base-Base interactions energy: -366.161
where: short stacking energy: -242.328
Base-Backbone interact. energy: 2.207
local terms energy: -376.560764
where:
bonds (distance) C4'-P energy: -79.870
bonds (distance) P-C4' energy: -86.053
flat angles C4'-P-C4' energy: -94.522
flat angles P-C4'-P energy: -66.756
tors. eta vs tors. theta energy: -49.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -743.669042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.669042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.669042 (E_RNA)
where:
Base-Base interactions energy: -374.512
where: short stacking energy: -246.078
Base-Backbone interact. energy: -0.382
local terms energy: -368.774564
where:
bonds (distance) C4'-P energy: -91.688
bonds (distance) P-C4' energy: -84.325
flat angles C4'-P-C4' energy: -86.721
flat angles P-C4'-P energy: -50.762
tors. eta vs tors. theta energy: -55.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -546.986313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.986313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.986313 (E_RNA)
where:
Base-Base interactions energy: -217.501
where: short stacking energy: -156.450
Base-Backbone interact. energy: -0.968
local terms energy: -328.517160
where:
bonds (distance) C4'-P energy: -82.811
bonds (distance) P-C4' energy: -94.220
flat angles C4'-P-C4' energy: -70.549
flat angles P-C4'-P energy: -65.177
tors. eta vs tors. theta energy: -15.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -510.670724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.670724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.670724 (E_RNA)
where:
Base-Base interactions energy: -220.288
where: short stacking energy: -186.325
Base-Backbone interact. energy: -1.090
local terms energy: -289.292965
where:
bonds (distance) C4'-P energy: -82.189
bonds (distance) P-C4' energy: -77.522
flat angles C4'-P-C4' energy: -64.535
flat angles P-C4'-P energy: -34.768
tors. eta vs tors. theta energy: -30.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -408.328990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.328990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.328990 (E_RNA)
where:
Base-Base interactions energy: -124.692
where: short stacking energy: -120.695
Base-Backbone interact. energy: -1.614
local terms energy: -282.022810
where:
bonds (distance) C4'-P energy: -76.491
bonds (distance) P-C4' energy: -81.442
flat angles C4'-P-C4' energy: -71.023
flat angles P-C4'-P energy: -48.306
tors. eta vs tors. theta energy: -4.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -389.193711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.193711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.193711 (E_RNA)
where:
Base-Base interactions energy: -113.845
where: short stacking energy: -101.587
Base-Backbone interact. energy: -0.201
local terms energy: -275.147434
where:
bonds (distance) C4'-P energy: -65.386
bonds (distance) P-C4' energy: -84.347
flat angles C4'-P-C4' energy: -60.184
flat angles P-C4'-P energy: -55.517
tors. eta vs tors. theta energy: -9.714
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: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -386.442125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.442125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.442125 (E_RNA)
where:
Base-Base interactions energy: -109.545
where: short stacking energy: -88.150
Base-Backbone interact. energy: 1.722
local terms energy: -278.619213
where:
bonds (distance) C4'-P energy: -84.960
bonds (distance) P-C4' energy: -90.483
flat angles C4'-P-C4' energy: -60.161
flat angles P-C4'-P energy: -38.515
tors. eta vs tors. theta energy: -4.501
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1228.263979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.263979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.263979 (E_RNA)
where:
Base-Base interactions energy: -752.854
where: short stacking energy: -430.167
Base-Backbone interact. energy: 4.405
local terms energy: -479.814193
where:
bonds (distance) C4'-P energy: -93.464
bonds (distance) P-C4' energy: -92.949
flat angles C4'-P-C4' energy: -103.125
flat angles P-C4'-P energy: -61.370
tors. eta vs tors. theta energy: -128.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1048.480074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.480074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.480074 (E_RNA)
where:
Base-Base interactions energy: -607.493
where: short stacking energy: -348.117
Base-Backbone interact. energy: 0.651
local terms energy: -441.638077
where:
bonds (distance) C4'-P energy: -93.656
bonds (distance) P-C4' energy: -92.727
flat angles C4'-P-C4' energy: -102.423
flat angles P-C4'-P energy: -55.390
tors. eta vs tors. theta energy: -97.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -948.772234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.772234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.772234 (E_RNA)
where:
Base-Base interactions energy: -535.371
where: short stacking energy: -341.016
Base-Backbone interact. energy: -0.810
local terms energy: -412.591386
where:
bonds (distance) C4'-P energy: -77.733
bonds (distance) P-C4' energy: -94.126
flat angles C4'-P-C4' energy: -101.259
flat angles P-C4'-P energy: -52.478
tors. eta vs tors. theta energy: -86.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -794.832244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.832244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.832244 (E_RNA)
where:
Base-Base interactions energy: -416.381
where: short stacking energy: -269.269
Base-Backbone interact. energy: -1.871
local terms energy: -376.579692
where:
bonds (distance) C4'-P energy: -82.833
bonds (distance) P-C4' energy: -92.886
flat angles C4'-P-C4' energy: -91.183
flat angles P-C4'-P energy: -49.696
tors. eta vs tors. theta energy: -59.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -686.316939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.316939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.316939 (E_RNA)
where:
Base-Base interactions energy: -328.999
where: short stacking energy: -234.871
Base-Backbone interact. energy: -0.461
local terms energy: -356.856658
where:
bonds (distance) C4'-P energy: -71.649
bonds (distance) P-C4' energy: -87.395
flat angles C4'-P-C4' energy: -101.044
flat angles P-C4'-P energy: -45.366
tors. eta vs tors. theta energy: -51.403
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: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -593.461162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.461162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.461162 (E_RNA)
where:
Base-Base interactions energy: -260.382
where: short stacking energy: -171.904
Base-Backbone interact. energy: 0.339
local terms energy: -333.418552
where:
bonds (distance) C4'-P energy: -93.108
bonds (distance) P-C4' energy: -84.514
flat angles C4'-P-C4' energy: -82.849
flat angles P-C4'-P energy: -58.109
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -493.773084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.773084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.773084 (E_RNA)
where:
Base-Base interactions energy: -175.464
where: short stacking energy: -115.664
Base-Backbone interact. energy: 2.380
local terms energy: -320.689066
where:
bonds (distance) C4'-P energy: -88.886
bonds (distance) P-C4' energy: -89.304
flat angles C4'-P-C4' energy: -89.511
flat angles P-C4'-P energy: -56.366
tors. eta vs tors. theta energy: 3.378
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: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -467.957480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.957480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.957480 (E_RNA)
where:
Base-Base interactions energy: -161.904
where: short stacking energy: -135.676
Base-Backbone interact. energy: -0.840
local terms energy: -305.213249
where:
bonds (distance) C4'-P energy: -79.683
bonds (distance) P-C4' energy: -82.545
flat angles C4'-P-C4' energy: -81.485
flat angles P-C4'-P energy: -49.920
tors. eta vs tors. theta energy: -11.581
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: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -391.581396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.581396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.581396 (E_RNA)
where:
Base-Base interactions energy: -123.450
where: short stacking energy: -102.693
Base-Backbone interact. energy: 1.131
local terms energy: -269.262528
where:
bonds (distance) C4'-P energy: -74.172
bonds (distance) P-C4' energy: -80.181
flat angles C4'-P-C4' energy: -63.586
flat angles P-C4'-P energy: -50.920
tors. eta vs tors. theta energy: -0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -364.114471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.114471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.114471 (E_RNA)
where:
Base-Base interactions energy: -107.117
where: short stacking energy: -100.906
Base-Backbone interact. energy: -0.023
local terms energy: -256.974117
where:
bonds (distance) C4'-P energy: -75.445
bonds (distance) P-C4' energy: -70.925
flat angles C4'-P-C4' energy: -57.700
flat angles P-C4'-P energy: -66.271
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1189.854519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.854519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.854519 (E_RNA)
where:
Base-Base interactions energy: -725.048
where: short stacking energy: -426.068
Base-Backbone interact. energy: -0.942
local terms energy: -463.864650
where:
bonds (distance) C4'-P energy: -89.465
bonds (distance) P-C4' energy: -81.540
flat angles C4'-P-C4' energy: -103.407
flat angles P-C4'-P energy: -70.327
tors. eta vs tors. theta energy: -119.125
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: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1043.358475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.358475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.358475 (E_RNA)
where:
Base-Base interactions energy: -612.669
where: short stacking energy: -365.142
Base-Backbone interact. energy: -1.109
local terms energy: -429.581033
where:
bonds (distance) C4'-P energy: -75.579
bonds (distance) P-C4' energy: -89.451
flat angles C4'-P-C4' energy: -101.931
flat angles P-C4'-P energy: -60.671
tors. eta vs tors. theta energy: -101.948
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: 174
Temperature: 1.000000
Total energy: -956.906192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.906192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.906192 (E_RNA)
where:
Base-Base interactions energy: -531.205
where: short stacking energy: -327.514
Base-Backbone interact. energy: 2.336
local terms energy: -428.037410
where:
bonds (distance) C4'-P energy: -91.599
bonds (distance) P-C4' energy: -93.909
flat angles C4'-P-C4' energy: -90.690
flat angles P-C4'-P energy: -62.182
tors. eta vs tors. theta energy: -89.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -815.800593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.800593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.800593 (E_RNA)
where:
Base-Base interactions energy: -430.330
where: short stacking energy: -273.848
Base-Backbone interact. energy: 0.516
local terms energy: -385.986636
where:
bonds (distance) C4'-P energy: -76.253
bonds (distance) P-C4' energy: -85.315
flat angles C4'-P-C4' energy: -82.632
flat angles P-C4'-P energy: -60.469
tors. eta vs tors. theta energy: -81.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -668.719630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.719630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.719630 (E_RNA)
where:
Base-Base interactions energy: -341.454
where: short stacking energy: -235.407
Base-Backbone interact. energy: 0.143
local terms energy: -327.408599
where:
bonds (distance) C4'-P energy: -82.948
bonds (distance) P-C4' energy: -74.930
flat angles C4'-P-C4' energy: -83.325
flat angles P-C4'-P energy: -43.002
tors. eta vs tors. theta energy: -43.204
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: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -544.713471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.713471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.713471 (E_RNA)
where:
Base-Base interactions energy: -232.344
where: short stacking energy: -177.005
Base-Backbone interact. energy: -0.653
local terms energy: -311.716116
where:
bonds (distance) C4'-P energy: -89.654
bonds (distance) P-C4' energy: -76.588
flat angles C4'-P-C4' energy: -65.630
flat angles P-C4'-P energy: -53.037
tors. eta vs tors. theta energy: -26.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -527.911251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.911251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.911251 (E_RNA)
where:
Base-Base interactions energy: -222.115
where: short stacking energy: -168.703
Base-Backbone interact. energy: -2.253
local terms energy: -303.542924
where:
bonds (distance) C4'-P energy: -76.056
bonds (distance) P-C4' energy: -88.719
flat angles C4'-P-C4' energy: -78.708
flat angles P-C4'-P energy: -42.511
tors. eta vs tors. theta energy: -17.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -430.892715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.892715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.892715 (E_RNA)
where:
Base-Base interactions energy: -136.443
where: short stacking energy: -128.526
Base-Backbone interact. energy: -1.419
local terms energy: -293.030891
where:
bonds (distance) C4'-P energy: -88.236
bonds (distance) P-C4' energy: -77.961
flat angles C4'-P-C4' energy: -73.000
flat angles P-C4'-P energy: -47.981
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -391.433185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.433185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.433185 (E_RNA)
where:
Base-Base interactions energy: -129.134
where: short stacking energy: -125.514
Base-Backbone interact. energy: -1.067
local terms energy: -261.232246
where:
bonds (distance) C4'-P energy: -66.558
bonds (distance) P-C4' energy: -80.628
flat angles C4'-P-C4' energy: -69.950
flat angles P-C4'-P energy: -31.621
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: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -331.942564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.942564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.942564 (E_RNA)
where:
Base-Base interactions energy: -69.293
where: short stacking energy: -58.888
Base-Backbone interact. energy: -0.993
local terms energy: -261.656845
where:
bonds (distance) C4'-P energy: -67.169
bonds (distance) P-C4' energy: -100.596
flat angles C4'-P-C4' energy: -65.538
flat angles P-C4'-P energy: -41.515
tors. eta vs tors. theta energy: 13.161
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1201.590814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.590814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.590814 (E_RNA)
where:
Base-Base interactions energy: -724.899
where: short stacking energy: -414.659
Base-Backbone interact. energy: 3.044
local terms energy: -479.735384
where:
bonds (distance) C4'-P energy: -92.613
bonds (distance) P-C4' energy: -91.701
flat angles C4'-P-C4' energy: -96.827
flat angles P-C4'-P energy: -73.021
tors. eta vs tors. theta energy: -125.574
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: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1066.957315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.957315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.957315 (E_RNA)
where:
Base-Base interactions energy: -610.397
where: short stacking energy: -367.705
Base-Backbone interact. energy: -0.338
local terms energy: -456.221972
where:
bonds (distance) C4'-P energy: -89.348
bonds (distance) P-C4' energy: -99.812
flat angles C4'-P-C4' energy: -99.252
flat angles P-C4'-P energy: -70.104
tors. eta vs tors. theta energy: -97.707
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: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -947.432436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.432436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.432436 (E_RNA)
where:
Base-Base interactions energy: -528.509
where: short stacking energy: -351.762
Base-Backbone interact. energy: -1.315
local terms energy: -417.608341
where:
bonds (distance) C4'-P energy: -84.321
bonds (distance) P-C4' energy: -83.443
flat angles C4'-P-C4' energy: -91.121
flat angles P-C4'-P energy: -58.973
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: 4, replica: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -707.026227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.026227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.026227 (E_RNA)
where:
Base-Base interactions energy: -338.540
where: short stacking energy: -247.925
Base-Backbone interact. energy: -1.591
local terms energy: -366.894923
where:
bonds (distance) C4'-P energy: -88.143
bonds (distance) P-C4' energy: -86.496
flat angles C4'-P-C4' energy: -83.073
flat angles P-C4'-P energy: -59.363
tors. eta vs tors. theta energy: -49.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -759.500253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.500253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.500253 (E_RNA)
where:
Base-Base interactions energy: -406.481
where: short stacking energy: -253.185
Base-Backbone interact. energy: -1.108
local terms energy: -351.911013
where:
bonds (distance) C4'-P energy: -83.810
bonds (distance) P-C4' energy: -86.278
flat angles C4'-P-C4' energy: -73.704
flat angles P-C4'-P energy: -49.892
tors. eta vs tors. theta energy: -58.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -565.974728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.974728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.974728 (E_RNA)
where:
Base-Base interactions energy: -252.131
where: short stacking energy: -169.484
Base-Backbone interact. energy: -0.588
local terms energy: -313.256194
where:
bonds (distance) C4'-P energy: -95.361
bonds (distance) P-C4' energy: -88.916
flat angles C4'-P-C4' energy: -69.299
flat angles P-C4'-P energy: -42.947
tors. eta vs tors. theta energy: -16.733
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: 7, replica: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -506.035738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.035738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.035738 (E_RNA)
where:
Base-Base interactions energy: -204.360
where: short stacking energy: -150.936
Base-Backbone interact. energy: -0.837
local terms energy: -300.838350
where:
bonds (distance) C4'-P energy: -79.653
bonds (distance) P-C4' energy: -86.236
flat angles C4'-P-C4' energy: -77.340
flat angles P-C4'-P energy: -40.966
tors. eta vs tors. theta energy: -16.644
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: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -433.861490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.861490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.861490 (E_RNA)
where:
Base-Base interactions energy: -158.990
where: short stacking energy: -131.289
Base-Backbone interact. energy: 0.680
local terms energy: -275.551881
where:
bonds (distance) C4'-P energy: -69.816
bonds (distance) P-C4' energy: -84.695
flat angles C4'-P-C4' energy: -69.168
flat angles P-C4'-P energy: -48.163
tors. eta vs tors. theta energy: -3.711
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: 7
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -379.413037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.413037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.413037 (E_RNA)
where:
Base-Base interactions energy: -115.699
where: short stacking energy: -85.968
Base-Backbone interact. energy: 1.269
local terms energy: -264.983319
where:
bonds (distance) C4'-P energy: -81.149
bonds (distance) P-C4' energy: -84.208
flat angles C4'-P-C4' energy: -68.081
flat angles P-C4'-P energy: -45.076
tors. eta vs tors. theta energy: 13.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -348.251472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.251472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.251472 (E_RNA)
where:
Base-Base interactions energy: -91.435
where: short stacking energy: -89.242
Base-Backbone interact. energy: -0.249
local terms energy: -256.567943
where:
bonds (distance) C4'-P energy: -70.920
bonds (distance) P-C4' energy: -83.549
flat angles C4'-P-C4' energy: -80.032
flat angles P-C4'-P energy: -43.596
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1222.717151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.717151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.717151 (E_RNA)
where:
Base-Base interactions energy: -731.383
where: short stacking energy: -434.886
Base-Backbone interact. energy: -2.536
local terms energy: -488.797600
where:
bonds (distance) C4'-P energy: -100.083
bonds (distance) P-C4' energy: -95.431
flat angles C4'-P-C4' energy: -103.899
flat angles P-C4'-P energy: -69.413
tors. eta vs tors. theta energy: -119.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1062.368783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.368783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.368783 (E_RNA)
where:
Base-Base interactions energy: -589.959
where: short stacking energy: -362.290
Base-Backbone interact. energy: -1.634
local terms energy: -470.776166
where:
bonds (distance) C4'-P energy: -104.778
bonds (distance) P-C4' energy: -97.354
flat angles C4'-P-C4' energy: -86.562
flat angles P-C4'-P energy: -72.467
tors. eta vs tors. theta energy: -109.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -997.385171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.385171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.385171 (E_RNA)
where:
Base-Base interactions energy: -558.392
where: short stacking energy: -369.194
Base-Backbone interact. energy: 0.961
local terms energy: -439.954132
where:
bonds (distance) C4'-P energy: -88.171
bonds (distance) P-C4' energy: -92.886
flat angles C4'-P-C4' energy: -88.885
flat angles P-C4'-P energy: -61.985
tors. eta vs tors. theta energy: -108.026
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: 1
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -731.939223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.939223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.939223 (E_RNA)
where:
Base-Base interactions energy: -364.243
where: short stacking energy: -248.847
Base-Backbone interact. energy: 0.083
local terms energy: -367.779469
where:
bonds (distance) C4'-P energy: -80.791
bonds (distance) P-C4' energy: -89.207
flat angles C4'-P-C4' energy: -76.561
flat angles P-C4'-P energy: -63.694
tors. eta vs tors. theta energy: -57.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -722.156948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.156948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.156948 (E_RNA)
where:
Base-Base interactions energy: -372.438
where: short stacking energy: -228.047
Base-Backbone interact. energy: 0.439
local terms energy: -350.158044
where:
bonds (distance) C4'-P energy: -94.725
bonds (distance) P-C4' energy: -93.583
flat angles C4'-P-C4' energy: -75.586
flat angles P-C4'-P energy: -44.072
tors. eta vs tors. theta energy: -42.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -581.739743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.739743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.739743 (E_RNA)
where:
Base-Base interactions energy: -272.695
where: short stacking energy: -191.306
Base-Backbone interact. energy: -1.315
local terms energy: -307.730445
where:
bonds (distance) C4'-P energy: -83.974
bonds (distance) P-C4' energy: -83.248
flat angles C4'-P-C4' energy: -71.136
flat angles P-C4'-P energy: -43.378
tors. eta vs tors. theta energy: -25.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -513.706738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.706738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.706738 (E_RNA)
where:
Base-Base interactions energy: -212.840
where: short stacking energy: -162.864
Base-Backbone interact. energy: 4.664
local terms energy: -305.531008
where:
bonds (distance) C4'-P energy: -89.561
bonds (distance) P-C4' energy: -91.183
flat angles C4'-P-C4' energy: -62.918
flat angles P-C4'-P energy: -40.900
tors. eta vs tors. theta energy: -20.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -418.873667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.873667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.873667 (E_RNA)
where:
Base-Base interactions energy: -156.433
where: short stacking energy: -106.581
Base-Backbone interact. energy: 1.909
local terms energy: -264.349657
where:
bonds (distance) C4'-P energy: -72.606
bonds (distance) P-C4' energy: -104.271
flat angles C4'-P-C4' energy: -70.723
flat angles P-C4'-P energy: -21.942
tors. eta vs tors. theta energy: 5.192
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: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -394.255577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.255577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.255577 (E_RNA)
where:
Base-Base interactions energy: -123.909
where: short stacking energy: -112.995
Base-Backbone interact. energy: -1.704
local terms energy: -268.642290
where:
bonds (distance) C4'-P energy: -83.982
bonds (distance) P-C4' energy: -81.946
flat angles C4'-P-C4' energy: -55.714
flat angles P-C4'-P energy: -48.462
tors. eta vs tors. theta energy: 1.461
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: 7
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -366.992938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.992938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.992938 (E_RNA)
where:
Base-Base interactions energy: -135.118
where: short stacking energy: -132.484
Base-Backbone interact. energy: 1.396
local terms energy: -233.270492
where:
bonds (distance) C4'-P energy: -61.729
bonds (distance) P-C4' energy: -76.562
flat angles C4'-P-C4' energy: -50.026
flat angles P-C4'-P energy: -41.122
tors. eta vs tors. theta energy: -3.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1240.977946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.977946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.977946 (E_RNA)
where:
Base-Base interactions energy: -756.064
where: short stacking energy: -425.118
Base-Backbone interact. energy: -1.075
local terms energy: -483.838520
where:
bonds (distance) C4'-P energy: -97.437
bonds (distance) P-C4' energy: -91.680
flat angles C4'-P-C4' energy: -95.551
flat angles P-C4'-P energy: -73.193
tors. eta vs tors. theta energy: -125.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1064.169208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.169208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.169208 (E_RNA)
where:
Base-Base interactions energy: -605.808
where: short stacking energy: -364.508
Base-Backbone interact. energy: 0.329
local terms energy: -458.690104
where:
bonds (distance) C4'-P energy: -93.870
bonds (distance) P-C4' energy: -98.118
flat angles C4'-P-C4' energy: -97.649
flat angles P-C4'-P energy: -60.134
tors. eta vs tors. theta energy: -108.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -896.509323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.509323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.509323 (E_RNA)
where:
Base-Base interactions energy: -491.777
where: short stacking energy: -290.901
Base-Backbone interact. energy: 1.459
local terms energy: -406.191228
where:
bonds (distance) C4'-P energy: -101.728
bonds (distance) P-C4' energy: -80.481
flat angles C4'-P-C4' energy: -94.645
flat angles P-C4'-P energy: -51.750
tors. eta vs tors. theta energy: -77.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -798.937205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.937205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.937205 (E_RNA)
where:
Base-Base interactions energy: -417.068
where: short stacking energy: -291.968
Base-Backbone interact. energy: 1.891
local terms energy: -383.759932
where:
bonds (distance) C4'-P energy: -90.508
bonds (distance) P-C4' energy: -94.893
flat angles C4'-P-C4' energy: -82.194
flat angles P-C4'-P energy: -52.802
tors. eta vs tors. theta energy: -63.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -690.204777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.204777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.204777 (E_RNA)
where:
Base-Base interactions energy: -315.399
where: short stacking energy: -224.951
Base-Backbone interact. energy: -1.653
local terms energy: -373.152806
where:
bonds (distance) C4'-P energy: -81.147
bonds (distance) P-C4' energy: -96.957
flat angles C4'-P-C4' energy: -94.868
flat angles P-C4'-P energy: -53.253
tors. eta vs tors. theta energy: -46.928
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: 9
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -573.855141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.855141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.855141 (E_RNA)
where:
Base-Base interactions energy: -246.987
where: short stacking energy: -188.245
Base-Backbone interact. energy: -0.831
local terms energy: -326.037521
where:
bonds (distance) C4'-P energy: -75.001
bonds (distance) P-C4' energy: -82.848
flat angles C4'-P-C4' energy: -88.068
flat angles P-C4'-P energy: -49.842
tors. eta vs tors. theta energy: -30.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -539.954402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.954402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.954402 (E_RNA)
where:
Base-Base interactions energy: -238.848
where: short stacking energy: -175.628
Base-Backbone interact. energy: 7.559
local terms energy: -308.665644
where:
bonds (distance) C4'-P energy: -95.489
bonds (distance) P-C4' energy: -75.140
flat angles C4'-P-C4' energy: -73.655
flat angles P-C4'-P energy: -40.139
tors. eta vs tors. theta energy: -24.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -412.804981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.804981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.804981 (E_RNA)
where:
Base-Base interactions energy: -136.546
where: short stacking energy: -102.492
Base-Backbone interact. energy: 0.091
local terms energy: -276.349916
where:
bonds (distance) C4'-P energy: -78.008
bonds (distance) P-C4' energy: -78.556
flat angles C4'-P-C4' energy: -82.022
flat angles P-C4'-P energy: -49.171
tors. eta vs tors. theta energy: 11.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -388.164871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.164871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.164871 (E_RNA)
where:
Base-Base interactions energy: -134.181
where: short stacking energy: -124.940
Base-Backbone interact. energy: 1.579
local terms energy: -255.562511
where:
bonds (distance) C4'-P energy: -68.859
bonds (distance) P-C4' energy: -92.613
flat angles C4'-P-C4' energy: -69.846
flat angles P-C4'-P energy: -47.877
tors. eta vs tors. theta energy: 23.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -345.388385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.388385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.388385 (E_RNA)
where:
Base-Base interactions energy: -126.527
where: short stacking energy: -110.020
Base-Backbone interact. energy: 0.825
local terms energy: -219.686387
where:
bonds (distance) C4'-P energy: -76.410
bonds (distance) P-C4' energy: -72.878
flat angles C4'-P-C4' energy: -55.583
flat angles P-C4'-P energy: -28.176
tors. eta vs tors. theta energy: 13.361
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1225.466734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.466734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.466734 (E_RNA)
where:
Base-Base interactions energy: -721.474
where: short stacking energy: -411.544
Base-Backbone interact. energy: -0.742
local terms energy: -503.251489
where:
bonds (distance) C4'-P energy: -103.682
bonds (distance) P-C4' energy: -104.199
flat angles C4'-P-C4' energy: -102.687
flat angles P-C4'-P energy: -68.240
tors. eta vs tors. theta energy: -124.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1065.591112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.591112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.591112 (E_RNA)
where:
Base-Base interactions energy: -610.169
where: short stacking energy: -391.414
Base-Backbone interact. energy: -0.884
local terms energy: -454.538343
where:
bonds (distance) C4'-P energy: -79.749
bonds (distance) P-C4' energy: -91.483
flat angles C4'-P-C4' energy: -101.464
flat angles P-C4'-P energy: -65.347
tors. eta vs tors. theta energy: -116.496
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: 178
Temperature: 1.000000
Total energy: -937.678014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.678014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.678014 (E_RNA)
where:
Base-Base interactions energy: -489.924
where: short stacking energy: -320.154
Base-Backbone interact. energy: -0.563
local terms energy: -447.191348
where:
bonds (distance) C4'-P energy: -99.964
bonds (distance) P-C4' energy: -92.990
flat angles C4'-P-C4' energy: -84.846
flat angles P-C4'-P energy: -64.730
tors. eta vs tors. theta energy: -104.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -803.331415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.331415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.331415 (E_RNA)
where:
Base-Base interactions energy: -418.542
where: short stacking energy: -259.275
Base-Backbone interact. energy: -0.720
local terms energy: -384.069789
where:
bonds (distance) C4'-P energy: -79.943
bonds (distance) P-C4' energy: -93.635
flat angles C4'-P-C4' energy: -93.132
flat angles P-C4'-P energy: -62.614
tors. eta vs tors. theta energy: -54.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -663.084934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.084934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.084934 (E_RNA)
where:
Base-Base interactions energy: -327.121
where: short stacking energy: -210.448
Base-Backbone interact. energy: -1.955
local terms energy: -334.009058
where:
bonds (distance) C4'-P energy: -77.533
bonds (distance) P-C4' energy: -84.160
flat angles C4'-P-C4' energy: -84.254
flat angles P-C4'-P energy: -53.397
tors. eta vs tors. theta energy: -34.665
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: 6, replica: 9
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -537.848079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.848079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.848079 (E_RNA)
where:
Base-Base interactions energy: -239.262
where: short stacking energy: -191.284
Base-Backbone interact. energy: -1.515
local terms energy: -297.071281
where:
bonds (distance) C4'-P energy: -75.762
bonds (distance) P-C4' energy: -83.604
flat angles C4'-P-C4' energy: -76.990
flat angles P-C4'-P energy: -53.564
tors. eta vs tors. theta energy: -7.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -434.619877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.619877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.619877 (E_RNA)
where:
Base-Base interactions energy: -152.233
where: short stacking energy: -145.292
Base-Backbone interact. energy: 1.967
local terms energy: -284.354571
where:
bonds (distance) C4'-P energy: -72.815
bonds (distance) P-C4' energy: -83.131
flat angles C4'-P-C4' energy: -80.072
flat angles P-C4'-P energy: -38.475
tors. eta vs tors. theta energy: -9.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -484.713546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.713546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.713546 (E_RNA)
where:
Base-Base interactions energy: -203.066
where: short stacking energy: -156.017
Base-Backbone interact. energy: -1.636
local terms energy: -280.011615
where:
bonds (distance) C4'-P energy: -85.625
bonds (distance) P-C4' energy: -75.362
flat angles C4'-P-C4' energy: -86.311
flat angles P-C4'-P energy: -29.994
tors. eta vs tors. theta energy: -2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -378.468616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.468616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.468616 (E_RNA)
where:
Base-Base interactions energy: -106.178
where: short stacking energy: -98.876
Base-Backbone interact. energy: -0.364
local terms energy: -271.926329
where:
bonds (distance) C4'-P energy: -89.694
bonds (distance) P-C4' energy: -80.293
flat angles C4'-P-C4' energy: -61.997
flat angles P-C4'-P energy: -38.096
tors. eta vs tors. theta energy: -1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -348.743408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.743408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.743408 (E_RNA)
where:
Base-Base interactions energy: -118.920
where: short stacking energy: -101.354
Base-Backbone interact. energy: 0.503
local terms energy: -230.326810
where:
bonds (distance) C4'-P energy: -74.453
bonds (distance) P-C4' energy: -66.911
flat angles C4'-P-C4' energy: -66.432
flat angles P-C4'-P energy: -29.265
tors. eta vs tors. theta energy: 6.734
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1244.260891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.260891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.260891 (E_RNA)
where:
Base-Base interactions energy: -743.327
where: short stacking energy: -432.008
Base-Backbone interact. energy: -1.302
local terms energy: -499.632442
where:
bonds (distance) C4'-P energy: -85.960
bonds (distance) P-C4' energy: -101.780
flat angles C4'-P-C4' energy: -106.245
flat angles P-C4'-P energy: -75.741
tors. eta vs tors. theta energy: -129.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1036.325410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.325410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.325410 (E_RNA)
where:
Base-Base interactions energy: -599.183
where: short stacking energy: -340.859
Base-Backbone interact. energy: -1.571
local terms energy: -435.570947
where:
bonds (distance) C4'-P energy: -87.585
bonds (distance) P-C4' energy: -86.406
flat angles C4'-P-C4' energy: -105.693
flat angles P-C4'-P energy: -63.026
tors. eta vs tors. theta energy: -92.860
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: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -937.209575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.209575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.209575 (E_RNA)
where:
Base-Base interactions energy: -496.203
where: short stacking energy: -313.349
Base-Backbone interact. energy: -0.721
local terms energy: -440.285820
where:
bonds (distance) C4'-P energy: -87.141
bonds (distance) P-C4' energy: -100.976
flat angles C4'-P-C4' energy: -91.377
flat angles P-C4'-P energy: -78.064
tors. eta vs tors. theta energy: -82.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -780.321024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.321024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.321024 (E_RNA)
where:
Base-Base interactions energy: -381.243
where: short stacking energy: -257.433
Base-Backbone interact. energy: -1.201
local terms energy: -397.876407
where:
bonds (distance) C4'-P energy: -87.155
bonds (distance) P-C4' energy: -92.651
flat angles C4'-P-C4' energy: -94.957
flat angles P-C4'-P energy: -63.981
tors. eta vs tors. theta energy: -59.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -685.366894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.366894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.366894 (E_RNA)
where:
Base-Base interactions energy: -320.456
where: short stacking energy: -228.119
Base-Backbone interact. energy: 4.855
local terms energy: -369.766041
where:
bonds (distance) C4'-P energy: -91.350
bonds (distance) P-C4' energy: -93.154
flat angles C4'-P-C4' energy: -79.311
flat angles P-C4'-P energy: -52.564
tors. eta vs tors. theta energy: -53.387
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: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -570.417006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.417006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.417006 (E_RNA)
where:
Base-Base interactions energy: -248.765
where: short stacking energy: -175.084
Base-Backbone interact. energy: -0.136
local terms energy: -321.516206
where:
bonds (distance) C4'-P energy: -62.368
bonds (distance) P-C4' energy: -95.496
flat angles C4'-P-C4' energy: -93.837
flat angles P-C4'-P energy: -39.344
tors. eta vs tors. theta energy: -30.472
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: 179
Temperature: 1.200000
Total energy: -453.067260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.067260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.067260 (E_RNA)
where:
Base-Base interactions energy: -171.954
where: short stacking energy: -145.964
Base-Backbone interact. energy: 2.736
local terms energy: -283.849433
where:
bonds (distance) C4'-P energy: -89.666
bonds (distance) P-C4' energy: -80.546
flat angles C4'-P-C4' energy: -62.789
flat angles P-C4'-P energy: -40.424
tors. eta vs tors. theta energy: -10.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -443.382274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.382274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.382274 (E_RNA)
where:
Base-Base interactions energy: -157.011
where: short stacking energy: -133.380
Base-Backbone interact. energy: 2.528
local terms energy: -288.899696
where:
bonds (distance) C4'-P energy: -71.735
bonds (distance) P-C4' energy: -94.200
flat angles C4'-P-C4' energy: -73.561
flat angles P-C4'-P energy: -47.283
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -397.082709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.082709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.082709 (E_RNA)
where:
Base-Base interactions energy: -143.019
where: short stacking energy: -127.450
Base-Backbone interact. energy: -1.048
local terms energy: -253.015871
where:
bonds (distance) C4'-P energy: -76.547
bonds (distance) P-C4' energy: -77.046
flat angles C4'-P-C4' energy: -58.726
flat angles P-C4'-P energy: -45.906
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: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -359.245805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.245805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.245805 (E_RNA)
where:
Base-Base interactions energy: -102.474
where: short stacking energy: -75.564
Base-Backbone interact. energy: -2.168
local terms energy: -254.603784
where:
bonds (distance) C4'-P energy: -81.019
bonds (distance) P-C4' energy: -72.264
flat angles C4'-P-C4' energy: -70.973
flat angles P-C4'-P energy: -39.033
tors. eta vs tors. theta energy: 8.685
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1195.921072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.921072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.921072 (E_RNA)
where:
Base-Base interactions energy: -700.436
where: short stacking energy: -420.936
Base-Backbone interact. energy: -1.791
local terms energy: -493.694042
where:
bonds (distance) C4'-P energy: -85.936
bonds (distance) P-C4' energy: -106.177
flat angles C4'-P-C4' energy: -97.192
flat angles P-C4'-P energy: -78.918
tors. eta vs tors. theta energy: -125.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1018.861227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.861227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.861227 (E_RNA)
where:
Base-Base interactions energy: -572.004
where: short stacking energy: -344.416
Base-Backbone interact. energy: -1.106
local terms energy: -445.750876
where:
bonds (distance) C4'-P energy: -93.975
bonds (distance) P-C4' energy: -93.430
flat angles C4'-P-C4' energy: -87.304
flat angles P-C4'-P energy: -73.225
tors. eta vs tors. theta energy: -97.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -914.116519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.116519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.116519 (E_RNA)
where:
Base-Base interactions energy: -517.923
where: short stacking energy: -304.640
Base-Backbone interact. energy: -1.601
local terms energy: -394.592275
where:
bonds (distance) C4'-P energy: -73.847
bonds (distance) P-C4' energy: -105.140
flat angles C4'-P-C4' energy: -83.857
flat angles P-C4'-P energy: -62.242
tors. eta vs tors. theta energy: -69.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -781.485694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.485694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.485694 (E_RNA)
where:
Base-Base interactions energy: -426.115
where: short stacking energy: -284.418
Base-Backbone interact. energy: -0.851
local terms energy: -354.520130
where:
bonds (distance) C4'-P energy: -76.120
bonds (distance) P-C4' energy: -82.828
flat angles C4'-P-C4' energy: -80.373
flat angles P-C4'-P energy: -57.569
tors. eta vs tors. theta energy: -57.631
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: 1
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -680.906297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.906297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.906297 (E_RNA)
where:
Base-Base interactions energy: -342.467
where: short stacking energy: -239.060
Base-Backbone interact. energy: 5.425
local terms energy: -343.864807
where:
bonds (distance) C4'-P energy: -82.011
bonds (distance) P-C4' energy: -94.064
flat angles C4'-P-C4' energy: -90.300
flat angles P-C4'-P energy: -36.084
tors. eta vs tors. theta energy: -41.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -590.379272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.379272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.379272 (E_RNA)
where:
Base-Base interactions energy: -253.553
where: short stacking energy: -199.923
Base-Backbone interact. energy: -0.346
local terms energy: -336.480414
where:
bonds (distance) C4'-P energy: -85.536
bonds (distance) P-C4' energy: -89.446
flat angles C4'-P-C4' energy: -79.558
flat angles P-C4'-P energy: -49.349
tors. eta vs tors. theta energy: -32.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -473.070800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.070800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.070800 (E_RNA)
where:
Base-Base interactions energy: -175.365
where: short stacking energy: -144.817
Base-Backbone interact. energy: -2.798
local terms energy: -294.907901
where:
bonds (distance) C4'-P energy: -75.738
bonds (distance) P-C4' energy: -83.726
flat angles C4'-P-C4' energy: -85.162
flat angles P-C4'-P energy: -34.560
tors. eta vs tors. theta energy: -15.722
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: 5
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -444.479011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.479011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.479011 (E_RNA)
where:
Base-Base interactions energy: -173.654
where: short stacking energy: -127.224
Base-Backbone interact. energy: 4.173
local terms energy: -274.997706
where:
bonds (distance) C4'-P energy: -85.860
bonds (distance) P-C4' energy: -87.806
flat angles C4'-P-C4' energy: -71.529
flat angles P-C4'-P energy: -38.639
tors. eta vs tors. theta energy: 8.836
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: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -373.727206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.727206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.727206 (E_RNA)
where:
Base-Base interactions energy: -143.773
where: short stacking energy: -128.532
Base-Backbone interact. energy: 6.023
local terms energy: -235.976715
where:
bonds (distance) C4'-P energy: -75.204
bonds (distance) P-C4' energy: -71.119
flat angles C4'-P-C4' energy: -49.415
flat angles P-C4'-P energy: -42.575
tors. eta vs tors. theta energy: 2.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -364.946846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.946846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.946846 (E_RNA)
where:
Base-Base interactions energy: -122.551
where: short stacking energy: -100.535
Base-Backbone interact. energy: -0.769
local terms energy: -241.626284
where:
bonds (distance) C4'-P energy: -65.390
bonds (distance) P-C4' energy: -90.717
flat angles C4'-P-C4' energy: -62.490
flat angles P-C4'-P energy: -34.981
tors. eta vs tors. theta energy: 11.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1223.832059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.832059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.832059 (E_RNA)
where:
Base-Base interactions energy: -739.289
where: short stacking energy: -420.871
Base-Backbone interact. energy: -1.698
local terms energy: -482.845351
where:
bonds (distance) C4'-P energy: -95.911
bonds (distance) P-C4' energy: -100.510
flat angles C4'-P-C4' energy: -100.676
flat angles P-C4'-P energy: -65.792
tors. eta vs tors. theta energy: -119.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1059.325664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.325664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.325664 (E_RNA)
where:
Base-Base interactions energy: -607.682
where: short stacking energy: -361.147
Base-Backbone interact. energy: -0.888
local terms energy: -450.755489
where:
bonds (distance) C4'-P energy: -91.010
bonds (distance) P-C4' energy: -88.978
flat angles C4'-P-C4' energy: -99.239
flat angles P-C4'-P energy: -70.567
tors. eta vs tors. theta energy: -100.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -920.649581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.649581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.649581 (E_RNA)
where:
Base-Base interactions energy: -517.267
where: short stacking energy: -316.383
Base-Backbone interact. energy: -0.555
local terms energy: -402.827937
where:
bonds (distance) C4'-P energy: -79.729
bonds (distance) P-C4' energy: -94.921
flat angles C4'-P-C4' energy: -92.954
flat angles P-C4'-P energy: -58.346
tors. eta vs tors. theta energy: -76.877
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: 181
Temperature: 1.050000
Total energy: -778.589936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.589936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.589936 (E_RNA)
where:
Base-Base interactions energy: -397.635
where: short stacking energy: -279.613
Base-Backbone interact. energy: -0.556
local terms energy: -380.398272
where:
bonds (distance) C4'-P energy: -87.804
bonds (distance) P-C4' energy: -98.885
flat angles C4'-P-C4' energy: -95.466
flat angles P-C4'-P energy: -41.482
tors. eta vs tors. theta energy: -56.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -668.021490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.021490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.021490 (E_RNA)
where:
Base-Base interactions energy: -321.952
where: short stacking energy: -222.509
Base-Backbone interact. energy: 0.181
local terms energy: -346.249985
where:
bonds (distance) C4'-P energy: -75.501
bonds (distance) P-C4' energy: -88.025
flat angles C4'-P-C4' energy: -88.737
flat angles P-C4'-P energy: -50.136
tors. eta vs tors. theta energy: -43.852
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: 6, replica: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -576.565768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.565768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.565768 (E_RNA)
where:
Base-Base interactions energy: -262.746
where: short stacking energy: -197.917
Base-Backbone interact. energy: -0.128
local terms energy: -313.691148
where:
bonds (distance) C4'-P energy: -72.695
bonds (distance) P-C4' energy: -74.517
flat angles C4'-P-C4' energy: -90.428
flat angles P-C4'-P energy: -51.380
tors. eta vs tors. theta energy: -24.671
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: 181
Temperature: 1.200000
Total energy: -449.257576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.257576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.257576 (E_RNA)
where:
Base-Base interactions energy: -168.189
where: short stacking energy: -132.981
Base-Backbone interact. energy: -0.675
local terms energy: -280.394023
where:
bonds (distance) C4'-P energy: -61.278
bonds (distance) P-C4' energy: -94.861
flat angles C4'-P-C4' energy: -66.405
flat angles P-C4'-P energy: -50.721
tors. eta vs tors. theta energy: -7.129
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: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -437.904279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.904279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.904279 (E_RNA)
where:
Base-Base interactions energy: -146.484
where: short stacking energy: -116.392
Base-Backbone interact. energy: 0.503
local terms energy: -291.922860
where:
bonds (distance) C4'-P energy: -88.482
bonds (distance) P-C4' energy: -76.406
flat angles C4'-P-C4' energy: -74.079
flat angles P-C4'-P energy: -48.653
tors. eta vs tors. theta energy: -4.302
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: 181
Temperature: 1.300000
Total energy: -373.292680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.292680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.292680 (E_RNA)
where:
Base-Base interactions energy: -117.503
where: short stacking energy: -113.127
Base-Backbone interact. energy: -1.479
local terms energy: -254.310470
where:
bonds (distance) C4'-P energy: -68.908
bonds (distance) P-C4' energy: -79.762
flat angles C4'-P-C4' energy: -75.077
flat angles P-C4'-P energy: -50.563
tors. eta vs tors. theta energy: 20.000
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: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -340.687510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.687510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.687510 (E_RNA)
where:
Base-Base interactions energy: -116.170
where: short stacking energy: -111.409
Base-Backbone interact. energy: 7.523
local terms energy: -232.040201
where:
bonds (distance) C4'-P energy: -69.077
bonds (distance) P-C4' energy: -71.661
flat angles C4'-P-C4' energy: -48.997
flat angles P-C4'-P energy: -51.812
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1239.842066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.842066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.842066 (E_RNA)
where:
Base-Base interactions energy: -749.815
where: short stacking energy: -446.216
Base-Backbone interact. energy: -1.062
local terms energy: -488.964977
where:
bonds (distance) C4'-P energy: -78.374
bonds (distance) P-C4' energy: -98.326
flat angles C4'-P-C4' energy: -107.255
flat angles P-C4'-P energy: -71.642
tors. eta vs tors. theta energy: -133.367
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: 8
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1054.346664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.346664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.346664 (E_RNA)
where:
Base-Base interactions energy: -594.291
where: short stacking energy: -345.458
Base-Backbone interact. energy: 0.484
local terms energy: -460.540134
where:
bonds (distance) C4'-P energy: -95.137
bonds (distance) P-C4' energy: -104.770
flat angles C4'-P-C4' energy: -102.087
flat angles P-C4'-P energy: -51.508
tors. eta vs tors. theta energy: -107.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -893.199030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.199030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.199030 (E_RNA)
where:
Base-Base interactions energy: -495.698
where: short stacking energy: -333.209
Base-Backbone interact. energy: -0.560
local terms energy: -396.941205
where:
bonds (distance) C4'-P energy: -78.774
bonds (distance) P-C4' energy: -97.500
flat angles C4'-P-C4' energy: -67.902
flat angles P-C4'-P energy: -56.905
tors. eta vs tors. theta energy: -95.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -776.625596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.625596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.625596 (E_RNA)
where:
Base-Base interactions energy: -397.652
where: short stacking energy: -241.777
Base-Backbone interact. energy: 1.082
local terms energy: -380.055702
where:
bonds (distance) C4'-P energy: -94.409
bonds (distance) P-C4' energy: -92.103
flat angles C4'-P-C4' energy: -80.118
flat angles P-C4'-P energy: -58.672
tors. eta vs tors. theta energy: -54.754
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: 1
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -654.197636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.197636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.197636 (E_RNA)
where:
Base-Base interactions energy: -308.497
where: short stacking energy: -212.535
Base-Backbone interact. energy: 2.551
local terms energy: -348.251465
where:
bonds (distance) C4'-P energy: -81.350
bonds (distance) P-C4' energy: -84.837
flat angles C4'-P-C4' energy: -84.210
flat angles P-C4'-P energy: -55.561
tors. eta vs tors. theta energy: -42.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -604.256778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.256778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.256778 (E_RNA)
where:
Base-Base interactions energy: -295.810
where: short stacking energy: -205.372
Base-Backbone interact. energy: -0.722
local terms energy: -307.724362
where:
bonds (distance) C4'-P energy: -82.000
bonds (distance) P-C4' energy: -80.438
flat angles C4'-P-C4' energy: -67.833
flat angles P-C4'-P energy: -38.107
tors. eta vs tors. theta energy: -39.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -451.814211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.814211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.814211 (E_RNA)
where:
Base-Base interactions energy: -145.147
where: short stacking energy: -125.070
Base-Backbone interact. energy: 0.501
local terms energy: -307.168613
where:
bonds (distance) C4'-P energy: -87.855
bonds (distance) P-C4' energy: -80.932
flat angles C4'-P-C4' energy: -72.725
flat angles P-C4'-P energy: -51.288
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: 8, replica: 10
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -408.123818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.123818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.123818 (E_RNA)
where:
Base-Base interactions energy: -121.570
where: short stacking energy: -98.849
Base-Backbone interact. energy: 3.270
local terms energy: -289.824297
where:
bonds (distance) C4'-P energy: -89.128
bonds (distance) P-C4' energy: -85.850
flat angles C4'-P-C4' energy: -80.312
flat angles P-C4'-P energy: -41.185
tors. eta vs tors. theta energy: 6.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -381.480970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.480970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.480970 (E_RNA)
where:
Base-Base interactions energy: -122.552
where: short stacking energy: -109.868
Base-Backbone interact. energy: -0.269
local terms energy: -258.659737
where:
bonds (distance) C4'-P energy: -80.281
bonds (distance) P-C4' energy: -89.146
flat angles C4'-P-C4' energy: -60.076
flat angles P-C4'-P energy: -36.401
tors. eta vs tors. theta energy: 7.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -365.367780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.367780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.367780 (E_RNA)
where:
Base-Base interactions energy: -104.280
where: short stacking energy: -93.725
Base-Backbone interact. energy: -0.216
local terms energy: -260.871007
where:
bonds (distance) C4'-P energy: -87.722
bonds (distance) P-C4' energy: -90.242
flat angles C4'-P-C4' energy: -70.738
flat angles P-C4'-P energy: -23.841
tors. eta vs tors. theta energy: 11.672
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1224.589062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.589062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.589062 (E_RNA)
where:
Base-Base interactions energy: -745.973
where: short stacking energy: -443.779
Base-Backbone interact. energy: 1.193
local terms energy: -479.808783
where:
bonds (distance) C4'-P energy: -83.245
bonds (distance) P-C4' energy: -88.697
flat angles C4'-P-C4' energy: -103.735
flat angles P-C4'-P energy: -72.032
tors. eta vs tors. theta energy: -132.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1079.995353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.995353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.995353 (E_RNA)
where:
Base-Base interactions energy: -632.454
where: short stacking energy: -393.256
Base-Backbone interact. energy: -1.427
local terms energy: -446.115169
where:
bonds (distance) C4'-P energy: -90.500
bonds (distance) P-C4' energy: -94.585
flat angles C4'-P-C4' energy: -90.716
flat angles P-C4'-P energy: -53.884
tors. eta vs tors. theta energy: -116.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -910.327562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.327562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.327562 (E_RNA)
where:
Base-Base interactions energy: -505.193
where: short stacking energy: -325.206
Base-Backbone interact. energy: -0.970
local terms energy: -404.164637
where:
bonds (distance) C4'-P energy: -91.496
bonds (distance) P-C4' energy: -80.576
flat angles C4'-P-C4' energy: -83.717
flat angles P-C4'-P energy: -70.124
tors. eta vs tors. theta energy: -78.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -799.151973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.151973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.151973 (E_RNA)
where:
Base-Base interactions energy: -428.390
where: short stacking energy: -273.513
Base-Backbone interact. energy: 0.815
local terms energy: -371.577232
where:
bonds (distance) C4'-P energy: -85.756
bonds (distance) P-C4' energy: -87.795
flat angles C4'-P-C4' energy: -80.653
flat angles P-C4'-P energy: -53.982
tors. eta vs tors. theta energy: -63.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -632.704379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.704379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.704379 (E_RNA)
where:
Base-Base interactions energy: -303.850
where: short stacking energy: -177.282
Base-Backbone interact. energy: 5.196
local terms energy: -334.050019
where:
bonds (distance) C4'-P energy: -74.390
bonds (distance) P-C4' energy: -96.990
flat angles C4'-P-C4' energy: -85.807
flat angles P-C4'-P energy: -55.694
tors. eta vs tors. theta energy: -21.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -635.422846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.422846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.422846 (E_RNA)
where:
Base-Base interactions energy: -292.501
where: short stacking energy: -186.997
Base-Backbone interact. energy: -1.320
local terms energy: -341.601632
where:
bonds (distance) C4'-P energy: -85.841
bonds (distance) P-C4' energy: -85.776
flat angles C4'-P-C4' energy: -93.099
flat angles P-C4'-P energy: -52.809
tors. eta vs tors. theta energy: -24.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -493.022745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.022745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.022745 (E_RNA)
where:
Base-Base interactions energy: -203.096
where: short stacking energy: -153.948
Base-Backbone interact. energy: -0.826
local terms energy: -289.100203
where:
bonds (distance) C4'-P energy: -80.581
bonds (distance) P-C4' energy: -68.000
flat angles C4'-P-C4' energy: -85.726
flat angles P-C4'-P energy: -48.040
tors. eta vs tors. theta energy: -6.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -409.030532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.030532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.030532 (E_RNA)
where:
Base-Base interactions energy: -126.332
where: short stacking energy: -120.448
Base-Backbone interact. energy: 1.938
local terms energy: -284.635686
where:
bonds (distance) C4'-P energy: -81.869
bonds (distance) P-C4' energy: -84.337
flat angles C4'-P-C4' energy: -71.168
flat angles P-C4'-P energy: -43.628
tors. eta vs tors. theta energy: -3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -436.408900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.408900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.408900 (E_RNA)
where:
Base-Base interactions energy: -144.851
where: short stacking energy: -133.974
Base-Backbone interact. energy: 0.009
local terms energy: -291.566622
where:
bonds (distance) C4'-P energy: -88.604
bonds (distance) P-C4' energy: -81.480
flat angles C4'-P-C4' energy: -64.326
flat angles P-C4'-P energy: -54.100
tors. eta vs tors. theta energy: -3.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -344.083663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.083663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.083663 (E_RNA)
where:
Base-Base interactions energy: -122.170
where: short stacking energy: -115.746
Base-Backbone interact. energy: 0.339
local terms energy: -222.253100
where:
bonds (distance) C4'-P energy: -83.962
bonds (distance) P-C4' energy: -68.152
flat angles C4'-P-C4' energy: -54.746
flat angles P-C4'-P energy: -32.338
tors. eta vs tors. theta energy: 16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1243.997856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.997856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.997856 (E_RNA)
where:
Base-Base interactions energy: -749.429
where: short stacking energy: -436.542
Base-Backbone interact. energy: -1.010
local terms energy: -493.559302
where:
bonds (distance) C4'-P energy: -102.380
bonds (distance) P-C4' energy: -91.471
flat angles C4'-P-C4' energy: -105.652
flat angles P-C4'-P energy: -62.236
tors. eta vs tors. theta energy: -131.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1115.001485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.001485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.001485 (E_RNA)
where:
Base-Base interactions energy: -640.135
where: short stacking energy: -385.349
Base-Backbone interact. energy: -0.270
local terms energy: -474.596610
where:
bonds (distance) C4'-P energy: -85.408
bonds (distance) P-C4' energy: -95.006
flat angles C4'-P-C4' energy: -112.509
flat angles P-C4'-P energy: -59.410
tors. eta vs tors. theta energy: -122.263
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: 3
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -877.127610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.127610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.127610 (E_RNA)
where:
Base-Base interactions energy: -480.992
where: short stacking energy: -298.930
Base-Backbone interact. energy: 0.616
local terms energy: -396.751112
where:
bonds (distance) C4'-P energy: -92.018
bonds (distance) P-C4' energy: -81.271
flat angles C4'-P-C4' energy: -99.026
flat angles P-C4'-P energy: -60.089
tors. eta vs tors. theta energy: -64.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -782.593220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.593220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.593220 (E_RNA)
where:
Base-Base interactions energy: -411.514
where: short stacking energy: -255.973
Base-Backbone interact. energy: -3.105
local terms energy: -367.974215
where:
bonds (distance) C4'-P energy: -87.677
bonds (distance) P-C4' energy: -76.355
flat angles C4'-P-C4' energy: -91.358
flat angles P-C4'-P energy: -55.499
tors. eta vs tors. theta energy: -57.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -651.906213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.906213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.906213 (E_RNA)
where:
Base-Base interactions energy: -345.261
where: short stacking energy: -234.665
Base-Backbone interact. energy: 0.560
local terms energy: -307.205051
where:
bonds (distance) C4'-P energy: -60.661
bonds (distance) P-C4' energy: -90.194
flat angles C4'-P-C4' energy: -90.486
flat angles P-C4'-P energy: -26.995
tors. eta vs tors. theta energy: -38.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -614.098612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.098612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.098612 (E_RNA)
where:
Base-Base interactions energy: -279.044
where: short stacking energy: -188.458
Base-Backbone interact. energy: -1.627
local terms energy: -333.427750
where:
bonds (distance) C4'-P energy: -94.359
bonds (distance) P-C4' energy: -84.151
flat angles C4'-P-C4' energy: -73.938
flat angles P-C4'-P energy: -58.338
tors. eta vs tors. theta energy: -22.641
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: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -423.122061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.122061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.122061 (E_RNA)
where:
Base-Base interactions energy: -174.194
where: short stacking energy: -142.588
Base-Backbone interact. energy: -3.127
local terms energy: -245.800169
where:
bonds (distance) C4'-P energy: -77.289
bonds (distance) P-C4' energy: -86.686
flat angles C4'-P-C4' energy: -70.000
flat angles P-C4'-P energy: -31.498
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: 8, replica: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -408.194947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.194947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.194947 (E_RNA)
where:
Base-Base interactions energy: -150.252
where: short stacking energy: -134.231
Base-Backbone interact. energy: 4.307
local terms energy: -262.250287
where:
bonds (distance) C4'-P energy: -81.900
bonds (distance) P-C4' energy: -80.920
flat angles C4'-P-C4' energy: -69.246
flat angles P-C4'-P energy: -34.451
tors. eta vs tors. theta energy: 4.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -395.459879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.459879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.459879 (E_RNA)
where:
Base-Base interactions energy: -134.271
where: short stacking energy: -125.482
Base-Backbone interact. energy: 1.078
local terms energy: -262.267339
where:
bonds (distance) C4'-P energy: -57.812
bonds (distance) P-C4' energy: -75.861
flat angles C4'-P-C4' energy: -74.735
flat angles P-C4'-P energy: -45.682
tors. eta vs tors. theta energy: -8.178
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: 10, replica: 5
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -326.993668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.993668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.993668 (E_RNA)
where:
Base-Base interactions energy: -107.788
where: short stacking energy: -95.575
Base-Backbone interact. energy: 5.370
local terms energy: -224.575348
where:
bonds (distance) C4'-P energy: -66.365
bonds (distance) P-C4' energy: -79.478
flat angles C4'-P-C4' energy: -59.223
flat angles P-C4'-P energy: -36.990
tors. eta vs tors. theta energy: 17.482
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1192.993208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.993208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.993208 (E_RNA)
where:
Base-Base interactions energy: -715.223
where: short stacking energy: -409.367
Base-Backbone interact. energy: -1.597
local terms energy: -476.173891
where:
bonds (distance) C4'-P energy: -86.521
bonds (distance) P-C4' energy: -95.340
flat angles C4'-P-C4' energy: -97.034
flat angles P-C4'-P energy: -72.148
tors. eta vs tors. theta energy: -125.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1108.538735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.538735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.538735 (E_RNA)
where:
Base-Base interactions energy: -615.619
where: short stacking energy: -394.239
Base-Backbone interact. energy: -1.510
local terms energy: -491.410480
where:
bonds (distance) C4'-P energy: -97.564
bonds (distance) P-C4' energy: -96.071
flat angles C4'-P-C4' energy: -106.710
flat angles P-C4'-P energy: -69.454
tors. eta vs tors. theta energy: -121.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -869.733731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.733731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.733731 (E_RNA)
where:
Base-Base interactions energy: -454.327
where: short stacking energy: -297.467
Base-Backbone interact. energy: -0.471
local terms energy: -414.934919
where:
bonds (distance) C4'-P energy: -95.772
bonds (distance) P-C4' energy: -94.151
flat angles C4'-P-C4' energy: -98.453
flat angles P-C4'-P energy: -62.412
tors. eta vs tors. theta energy: -64.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -799.882257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.882257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.882257 (E_RNA)
where:
Base-Base interactions energy: -423.065
where: short stacking energy: -274.226
Base-Backbone interact. energy: -0.572
local terms energy: -376.244830
where:
bonds (distance) C4'-P energy: -74.301
bonds (distance) P-C4' energy: -87.542
flat angles C4'-P-C4' energy: -100.438
flat angles P-C4'-P energy: -60.359
tors. eta vs tors. theta energy: -53.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -693.405901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.405901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.405901 (E_RNA)
where:
Base-Base interactions energy: -348.786
where: short stacking energy: -219.040
Base-Backbone interact. energy: 0.840
local terms energy: -345.460328
where:
bonds (distance) C4'-P energy: -81.234
bonds (distance) P-C4' energy: -72.076
flat angles C4'-P-C4' energy: -89.027
flat angles P-C4'-P energy: -53.999
tors. eta vs tors. theta energy: -49.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -577.872660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.872660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.872660 (E_RNA)
where:
Base-Base interactions energy: -259.881
where: short stacking energy: -181.634
Base-Backbone interact. energy: -1.156
local terms energy: -316.835706
where:
bonds (distance) C4'-P energy: -74.054
bonds (distance) P-C4' energy: -86.844
flat angles C4'-P-C4' energy: -83.569
flat angles P-C4'-P energy: -47.120
tors. eta vs tors. theta energy: -25.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -437.245389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.245389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.245389 (E_RNA)
where:
Base-Base interactions energy: -172.788
where: short stacking energy: -141.859
Base-Backbone interact. energy: 2.975
local terms energy: -267.432663
where:
bonds (distance) C4'-P energy: -68.504
bonds (distance) P-C4' energy: -85.167
flat angles C4'-P-C4' energy: -60.714
flat angles P-C4'-P energy: -42.552
tors. eta vs tors. theta energy: -10.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -395.746336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.746336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.746336 (E_RNA)
where:
Base-Base interactions energy: -140.489
where: short stacking energy: -121.150
Base-Backbone interact. energy: 0.385
local terms energy: -255.641835
where:
bonds (distance) C4'-P energy: -64.599
bonds (distance) P-C4' energy: -84.483
flat angles C4'-P-C4' energy: -71.409
flat angles P-C4'-P energy: -38.289
tors. eta vs tors. theta energy: 3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -413.672074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.672074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.672074 (E_RNA)
where:
Base-Base interactions energy: -146.252
where: short stacking energy: -138.499
Base-Backbone interact. energy: -1.453
local terms energy: -265.967328
where:
bonds (distance) C4'-P energy: -85.550
bonds (distance) P-C4' energy: -78.543
flat angles C4'-P-C4' energy: -73.701
flat angles P-C4'-P energy: -29.112
tors. eta vs tors. theta energy: 0.940
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: 10, replica: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -341.704859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.704859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.704859 (E_RNA)
where:
Base-Base interactions energy: -101.115
where: short stacking energy: -91.596
Base-Backbone interact. energy: 2.198
local terms energy: -242.787330
where:
bonds (distance) C4'-P energy: -76.000
bonds (distance) P-C4' energy: -81.358
flat angles C4'-P-C4' energy: -62.923
flat angles P-C4'-P energy: -32.532
tors. eta vs tors. theta energy: 10.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1191.043412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.043412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.043412 (E_RNA)
where:
Base-Base interactions energy: -712.581
where: short stacking energy: -404.416
Base-Backbone interact. energy: -0.960
local terms energy: -477.501772
where:
bonds (distance) C4'-P energy: -87.526
bonds (distance) P-C4' energy: -92.268
flat angles C4'-P-C4' energy: -108.716
flat angles P-C4'-P energy: -71.614
tors. eta vs tors. theta energy: -117.378
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: 2, replica: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1069.985528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.985528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.985528 (E_RNA)
where:
Base-Base interactions energy: -622.490
where: short stacking energy: -359.801
Base-Backbone interact. energy: -1.211
local terms energy: -446.284830
where:
bonds (distance) C4'-P energy: -87.104
bonds (distance) P-C4' energy: -91.720
flat angles C4'-P-C4' energy: -96.451
flat angles P-C4'-P energy: -61.078
tors. eta vs tors. theta energy: -109.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -896.003842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.003842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.003842 (E_RNA)
where:
Base-Base interactions energy: -477.141
where: short stacking energy: -310.795
Base-Backbone interact. energy: -2.405
local terms energy: -416.457539
where:
bonds (distance) C4'-P energy: -86.721
bonds (distance) P-C4' energy: -85.320
flat angles C4'-P-C4' energy: -91.306
flat angles P-C4'-P energy: -65.454
tors. eta vs tors. theta energy: -87.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -820.255841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.255841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.255841 (E_RNA)
where:
Base-Base interactions energy: -441.826
where: short stacking energy: -294.614
Base-Backbone interact. energy: -0.174
local terms energy: -378.255687
where:
bonds (distance) C4'-P energy: -92.373
bonds (distance) P-C4' energy: -87.019
flat angles C4'-P-C4' energy: -98.674
flat angles P-C4'-P energy: -36.966
tors. eta vs tors. theta energy: -63.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -704.110114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.110114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.110114 (E_RNA)
where:
Base-Base interactions energy: -354.564
where: short stacking energy: -244.662
Base-Backbone interact. energy: -1.728
local terms energy: -347.818403
where:
bonds (distance) C4'-P energy: -78.419
bonds (distance) P-C4' energy: -83.134
flat angles C4'-P-C4' energy: -75.055
flat angles P-C4'-P energy: -56.041
tors. eta vs tors. theta energy: -55.169
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: 1
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -612.229542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.229542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.229542 (E_RNA)
where:
Base-Base interactions energy: -309.845
where: short stacking energy: -207.211
Base-Backbone interact. energy: -1.176
local terms energy: -301.208535
where:
bonds (distance) C4'-P energy: -63.416
bonds (distance) P-C4' energy: -88.225
flat angles C4'-P-C4' energy: -83.642
flat angles P-C4'-P energy: -39.316
tors. eta vs tors. theta energy: -26.610
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: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -449.475239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.475239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.475239 (E_RNA)
where:
Base-Base interactions energy: -153.447
where: short stacking energy: -148.381
Base-Backbone interact. energy: -0.173
local terms energy: -295.855220
where:
bonds (distance) C4'-P energy: -85.970
bonds (distance) P-C4' energy: -90.015
flat angles C4'-P-C4' energy: -60.759
flat angles P-C4'-P energy: -49.715
tors. eta vs tors. theta energy: -9.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -414.930591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.930591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.930591 (E_RNA)
where:
Base-Base interactions energy: -146.099
where: short stacking energy: -119.342
Base-Backbone interact. energy: -0.108
local terms energy: -268.723472
where:
bonds (distance) C4'-P energy: -74.192
bonds (distance) P-C4' energy: -74.038
flat angles C4'-P-C4' energy: -70.542
flat angles P-C4'-P energy: -51.905
tors. eta vs tors. theta energy: 1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -385.209723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.209723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.209723 (E_RNA)
where:
Base-Base interactions energy: -124.430
where: short stacking energy: -117.957
Base-Backbone interact. energy: -0.211
local terms energy: -260.568723
where:
bonds (distance) C4'-P energy: -70.662
bonds (distance) P-C4' energy: -80.766
flat angles C4'-P-C4' energy: -64.055
flat angles P-C4'-P energy: -44.358
tors. eta vs tors. theta energy: -0.729
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: 186
Temperature: 1.350000
Total energy: -334.445725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.445725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.445725 (E_RNA)
where:
Base-Base interactions energy: -114.889
where: short stacking energy: -90.719
Base-Backbone interact. energy: 0.180
local terms energy: -219.736136
where:
bonds (distance) C4'-P energy: -69.806
bonds (distance) P-C4' energy: -75.664
flat angles C4'-P-C4' energy: -56.315
flat angles P-C4'-P energy: -42.652
tors. eta vs tors. theta energy: 24.700
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1200.159384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.159384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.159384 (E_RNA)
where:
Base-Base interactions energy: -738.099
where: short stacking energy: -393.407
Base-Backbone interact. energy: 0.952
local terms energy: -463.012211
where:
bonds (distance) C4'-P energy: -86.205
bonds (distance) P-C4' energy: -83.484
flat angles C4'-P-C4' energy: -99.390
flat angles P-C4'-P energy: -74.396
tors. eta vs tors. theta energy: -119.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1094.057079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.057079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.057079 (E_RNA)
where:
Base-Base interactions energy: -649.753
where: short stacking energy: -393.619
Base-Backbone interact. energy: -0.017
local terms energy: -444.286888
where:
bonds (distance) C4'-P energy: -82.554
bonds (distance) P-C4' energy: -91.383
flat angles C4'-P-C4' energy: -90.660
flat angles P-C4'-P energy: -74.662
tors. eta vs tors. theta energy: -105.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -896.565410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.565410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.565410 (E_RNA)
where:
Base-Base interactions energy: -488.742
where: short stacking energy: -300.563
Base-Backbone interact. energy: -1.101
local terms energy: -406.722086
where:
bonds (distance) C4'-P energy: -89.849
bonds (distance) P-C4' energy: -86.274
flat angles C4'-P-C4' energy: -95.811
flat angles P-C4'-P energy: -65.307
tors. eta vs tors. theta energy: -69.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -820.686190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.686190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.686190 (E_RNA)
where:
Base-Base interactions energy: -475.075
where: short stacking energy: -289.056
Base-Backbone interact. energy: 0.527
local terms energy: -346.138377
where:
bonds (distance) C4'-P energy: -56.803
bonds (distance) P-C4' energy: -81.980
flat angles C4'-P-C4' energy: -86.282
flat angles P-C4'-P energy: -58.074
tors. eta vs tors. theta energy: -62.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -709.955202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.955202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.955202 (E_RNA)
where:
Base-Base interactions energy: -354.100
where: short stacking energy: -235.467
Base-Backbone interact. energy: 3.597
local terms energy: -359.452121
where:
bonds (distance) C4'-P energy: -87.793
bonds (distance) P-C4' energy: -91.721
flat angles C4'-P-C4' energy: -72.049
flat angles P-C4'-P energy: -57.914
tors. eta vs tors. theta energy: -49.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -595.754637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.754637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.754637 (E_RNA)
where:
Base-Base interactions energy: -279.849
where: short stacking energy: -182.580
Base-Backbone interact. energy: 1.773
local terms energy: -317.678122
where:
bonds (distance) C4'-P energy: -86.744
bonds (distance) P-C4' energy: -91.917
flat angles C4'-P-C4' energy: -72.879
flat angles P-C4'-P energy: -48.256
tors. eta vs tors. theta energy: -17.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -451.158595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.158595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.158595 (E_RNA)
where:
Base-Base interactions energy: -161.984
where: short stacking energy: -132.041
Base-Backbone interact. energy: -2.608
local terms energy: -286.567009
where:
bonds (distance) C4'-P energy: -90.831
bonds (distance) P-C4' energy: -79.148
flat angles C4'-P-C4' energy: -77.415
flat angles P-C4'-P energy: -38.231
tors. eta vs tors. theta energy: -0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -418.928607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.928607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.928607 (E_RNA)
where:
Base-Base interactions energy: -148.971
where: short stacking energy: -110.703
Base-Backbone interact. energy: -0.822
local terms energy: -269.135858
where:
bonds (distance) C4'-P energy: -74.463
bonds (distance) P-C4' energy: -76.120
flat angles C4'-P-C4' energy: -72.710
flat angles P-C4'-P energy: -45.397
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: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -389.463826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.463826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.463826 (E_RNA)
where:
Base-Base interactions energy: -130.871
where: short stacking energy: -117.523
Base-Backbone interact. energy: 2.444
local terms energy: -261.037122
where:
bonds (distance) C4'-P energy: -71.420
bonds (distance) P-C4' energy: -79.909
flat angles C4'-P-C4' energy: -78.302
flat angles P-C4'-P energy: -35.351
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: 5
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -360.739746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.739746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.739746 (E_RNA)
where:
Base-Base interactions energy: -117.655
where: short stacking energy: -112.923
Base-Backbone interact. energy: -1.466
local terms energy: -241.619405
where:
bonds (distance) C4'-P energy: -77.614
bonds (distance) P-C4' energy: -77.587
flat angles C4'-P-C4' energy: -57.134
flat angles P-C4'-P energy: -45.584
tors. eta vs tors. theta energy: 16.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1217.589046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.589046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.589046 (E_RNA)
where:
Base-Base interactions energy: -731.403
where: short stacking energy: -418.058
Base-Backbone interact. energy: -1.643
local terms energy: -484.543131
where:
bonds (distance) C4'-P energy: -83.430
bonds (distance) P-C4' energy: -99.114
flat angles C4'-P-C4' energy: -103.968
flat angles P-C4'-P energy: -69.139
tors. eta vs tors. theta energy: -128.893
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: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1078.197511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.197511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.197511 (E_RNA)
where:
Base-Base interactions energy: -624.580
where: short stacking energy: -366.536
Base-Backbone interact. energy: -2.013
local terms energy: -451.604278
where:
bonds (distance) C4'-P energy: -94.451
bonds (distance) P-C4' energy: -91.032
flat angles C4'-P-C4' energy: -101.089
flat angles P-C4'-P energy: -62.325
tors. eta vs tors. theta energy: -102.707
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: 3, replica: 3
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -916.981963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.981963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.981963 (E_RNA)
where:
Base-Base interactions energy: -535.428
where: short stacking energy: -327.577
Base-Backbone interact. energy: 1.561
local terms energy: -383.115102
where:
bonds (distance) C4'-P energy: -85.700
bonds (distance) P-C4' energy: -79.951
flat angles C4'-P-C4' energy: -88.435
flat angles P-C4'-P energy: -61.213
tors. eta vs tors. theta energy: -67.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -846.806020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.806020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.806020 (E_RNA)
where:
Base-Base interactions energy: -469.544
where: short stacking energy: -289.960
Base-Backbone interact. energy: -2.335
local terms energy: -374.927017
where:
bonds (distance) C4'-P energy: -86.488
bonds (distance) P-C4' energy: -80.718
flat angles C4'-P-C4' energy: -88.391
flat angles P-C4'-P energy: -57.339
tors. eta vs tors. theta energy: -61.992
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: 9
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -702.974294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.974294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.974294 (E_RNA)
where:
Base-Base interactions energy: -351.658
where: short stacking energy: -235.338
Base-Backbone interact. energy: -0.445
local terms energy: -350.871112
where:
bonds (distance) C4'-P energy: -77.306
bonds (distance) P-C4' energy: -91.680
flat angles C4'-P-C4' energy: -92.734
flat angles P-C4'-P energy: -49.971
tors. eta vs tors. theta energy: -39.181
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: 1
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -549.078683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.078683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.078683 (E_RNA)
where:
Base-Base interactions energy: -235.572
where: short stacking energy: -173.020
Base-Backbone interact. energy: -0.271
local terms energy: -313.236273
where:
bonds (distance) C4'-P energy: -78.644
bonds (distance) P-C4' energy: -94.007
flat angles C4'-P-C4' energy: -78.041
flat angles P-C4'-P energy: -41.566
tors. eta vs tors. theta energy: -20.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -475.116965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.116965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.116965 (E_RNA)
where:
Base-Base interactions energy: -185.327
where: short stacking energy: -155.384
Base-Backbone interact. energy: -0.756
local terms energy: -289.033775
where:
bonds (distance) C4'-P energy: -81.877
bonds (distance) P-C4' energy: -89.699
flat angles C4'-P-C4' energy: -66.061
flat angles P-C4'-P energy: -35.618
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -400.682313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.682313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.682313 (E_RNA)
where:
Base-Base interactions energy: -125.815
where: short stacking energy: -117.116
Base-Backbone interact. energy: 1.175
local terms energy: -276.042245
where:
bonds (distance) C4'-P energy: -83.582
bonds (distance) P-C4' energy: -90.489
flat angles C4'-P-C4' energy: -74.077
flat angles P-C4'-P energy: -36.630
tors. eta vs tors. theta energy: 8.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -380.239137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.239137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.239137 (E_RNA)
where:
Base-Base interactions energy: -118.704
where: short stacking energy: -101.456
Base-Backbone interact. energy: -1.952
local terms energy: -259.583302
where:
bonds (distance) C4'-P energy: -65.929
bonds (distance) P-C4' energy: -96.665
flat angles C4'-P-C4' energy: -68.714
flat angles P-C4'-P energy: -41.865
tors. eta vs tors. theta energy: 13.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -353.705410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.705410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.705410 (E_RNA)
where:
Base-Base interactions energy: -119.393
where: short stacking energy: -94.147
Base-Backbone interact. energy: -0.033
local terms energy: -234.279698
where:
bonds (distance) C4'-P energy: -74.693
bonds (distance) P-C4' energy: -75.833
flat angles C4'-P-C4' energy: -61.598
flat angles P-C4'-P energy: -36.855
tors. eta vs tors. theta energy: 14.700
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1221.567800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.567800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.567800 (E_RNA)
where:
Base-Base interactions energy: -731.966
where: short stacking energy: -430.435
Base-Backbone interact. energy: -1.124
local terms energy: -488.478053
where:
bonds (distance) C4'-P energy: -87.937
bonds (distance) P-C4' energy: -87.751
flat angles C4'-P-C4' energy: -106.458
flat angles P-C4'-P energy: -75.259
tors. eta vs tors. theta energy: -131.073
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: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1081.674851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.674851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.674851 (E_RNA)
where:
Base-Base interactions energy: -642.569
where: short stacking energy: -393.141
Base-Backbone interact. energy: -0.459
local terms energy: -438.646010
where:
bonds (distance) C4'-P energy: -71.709
bonds (distance) P-C4' energy: -92.125
flat angles C4'-P-C4' energy: -92.586
flat angles P-C4'-P energy: -69.444
tors. eta vs tors. theta energy: -112.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -919.050653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.050653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.050653 (E_RNA)
where:
Base-Base interactions energy: -507.992
where: short stacking energy: -333.659
Base-Backbone interact. energy: 1.999
local terms energy: -413.057239
where:
bonds (distance) C4'-P energy: -94.860
bonds (distance) P-C4' energy: -89.837
flat angles C4'-P-C4' energy: -92.279
flat angles P-C4'-P energy: -52.539
tors. eta vs tors. theta energy: -83.542
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: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -845.392323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.392323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.392323 (E_RNA)
where:
Base-Base interactions energy: -465.512
where: short stacking energy: -272.684
Base-Backbone interact. energy: -2.415
local terms energy: -377.464788
where:
bonds (distance) C4'-P energy: -85.525
bonds (distance) P-C4' energy: -85.181
flat angles C4'-P-C4' energy: -81.624
flat angles P-C4'-P energy: -66.356
tors. eta vs tors. theta energy: -58.779
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: 9
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -679.244719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.244719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.244719 (E_RNA)
where:
Base-Base interactions energy: -326.759
where: short stacking energy: -221.077
Base-Backbone interact. energy: -1.052
local terms energy: -351.433943
where:
bonds (distance) C4'-P energy: -83.810
bonds (distance) P-C4' energy: -93.079
flat angles C4'-P-C4' energy: -79.102
flat angles P-C4'-P energy: -54.327
tors. eta vs tors. theta energy: -41.115
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: 1
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -539.142104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.142104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.142104 (E_RNA)
where:
Base-Base interactions energy: -244.185
where: short stacking energy: -182.257
Base-Backbone interact. energy: -0.427
local terms energy: -294.529626
where:
bonds (distance) C4'-P energy: -81.588
bonds (distance) P-C4' energy: -71.485
flat angles C4'-P-C4' energy: -76.628
flat angles P-C4'-P energy: -41.926
tors. eta vs tors. theta energy: -22.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -466.403396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.403396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.403396 (E_RNA)
where:
Base-Base interactions energy: -165.742
where: short stacking energy: -146.912
Base-Backbone interact. energy: -0.350
local terms energy: -300.311094
where:
bonds (distance) C4'-P energy: -78.428
bonds (distance) P-C4' energy: -92.972
flat angles C4'-P-C4' energy: -76.767
flat angles P-C4'-P energy: -46.885
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -444.743849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.743849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.743849 (E_RNA)
where:
Base-Base interactions energy: -162.070
where: short stacking energy: -140.982
Base-Backbone interact. energy: -1.570
local terms energy: -281.103375
where:
bonds (distance) C4'-P energy: -74.880
bonds (distance) P-C4' energy: -79.038
flat angles C4'-P-C4' energy: -65.511
flat angles P-C4'-P energy: -52.301
tors. eta vs tors. theta energy: -9.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -377.184873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.184873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.184873 (E_RNA)
where:
Base-Base interactions energy: -128.936
where: short stacking energy: -108.126
Base-Backbone interact. energy: 0.014
local terms energy: -248.263195
where:
bonds (distance) C4'-P energy: -73.771
bonds (distance) P-C4' energy: -81.751
flat angles C4'-P-C4' energy: -70.174
flat angles P-C4'-P energy: -31.405
tors. eta vs tors. theta energy: 8.836
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: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -382.207528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.207528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.207528 (E_RNA)
where:
Base-Base interactions energy: -134.380
where: short stacking energy: -130.617
Base-Backbone interact. energy: 1.586
local terms energy: -249.413277
where:
bonds (distance) C4'-P energy: -65.333
bonds (distance) P-C4' energy: -82.264
flat angles C4'-P-C4' energy: -83.984
flat angles P-C4'-P energy: -23.369
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1247.908307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.908307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.908307 (E_RNA)
where:
Base-Base interactions energy: -751.058
where: short stacking energy: -452.198
Base-Backbone interact. energy: -2.199
local terms energy: -494.651221
where:
bonds (distance) C4'-P energy: -89.862
bonds (distance) P-C4' energy: -88.280
flat angles C4'-P-C4' energy: -100.383
flat angles P-C4'-P energy: -79.227
tors. eta vs tors. theta energy: -136.900
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: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1102.098119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.098119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.098119 (E_RNA)
where:
Base-Base interactions energy: -638.774
where: short stacking energy: -378.352
Base-Backbone interact. energy: -0.245
local terms energy: -463.078923
where:
bonds (distance) C4'-P energy: -86.414
bonds (distance) P-C4' energy: -98.561
flat angles C4'-P-C4' energy: -98.664
flat angles P-C4'-P energy: -69.042
tors. eta vs tors. theta energy: -110.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -948.256466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.256466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.256466 (E_RNA)
where:
Base-Base interactions energy: -537.423
where: short stacking energy: -337.137
Base-Backbone interact. energy: -1.644
local terms energy: -409.189950
where:
bonds (distance) C4'-P energy: -99.541
bonds (distance) P-C4' energy: -81.676
flat angles C4'-P-C4' energy: -88.012
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -88.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -777.226320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.226320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.226320 (E_RNA)
where:
Base-Base interactions energy: -420.483
where: short stacking energy: -262.221
Base-Backbone interact. energy: -1.240
local terms energy: -355.503678
where:
bonds (distance) C4'-P energy: -90.923
bonds (distance) P-C4' energy: -94.497
flat angles C4'-P-C4' energy: -81.564
flat angles P-C4'-P energy: -38.756
tors. eta vs tors. theta energy: -49.765
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: 9
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -672.743259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.743259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.743259 (E_RNA)
where:
Base-Base interactions energy: -338.855
where: short stacking energy: -224.937
Base-Backbone interact. energy: -0.352
local terms energy: -333.536865
where:
bonds (distance) C4'-P energy: -87.802
bonds (distance) P-C4' energy: -84.059
flat angles C4'-P-C4' energy: -81.890
flat angles P-C4'-P energy: -50.988
tors. eta vs tors. theta energy: -28.797
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: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -586.415642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.415642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.415642 (E_RNA)
where:
Base-Base interactions energy: -248.246
where: short stacking energy: -186.774
Base-Backbone interact. energy: -0.115
local terms energy: -338.054541
where:
bonds (distance) C4'-P energy: -86.075
bonds (distance) P-C4' energy: -97.845
flat angles C4'-P-C4' energy: -84.943
flat angles P-C4'-P energy: -44.333
tors. eta vs tors. theta energy: -24.859
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: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -454.832716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.832716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.832716 (E_RNA)
where:
Base-Base interactions energy: -166.597
where: short stacking energy: -149.038
Base-Backbone interact. energy: -1.465
local terms energy: -286.770644
where:
bonds (distance) C4'-P energy: -77.131
bonds (distance) P-C4' energy: -80.840
flat angles C4'-P-C4' energy: -79.163
flat angles P-C4'-P energy: -32.978
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -411.297420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.297420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.297420 (E_RNA)
where:
Base-Base interactions energy: -138.577
where: short stacking energy: -127.332
Base-Backbone interact. energy: -1.384
local terms energy: -271.336660
where:
bonds (distance) C4'-P energy: -63.882
bonds (distance) P-C4' energy: -84.550
flat angles C4'-P-C4' energy: -72.652
flat angles P-C4'-P energy: -50.433
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: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -358.158736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.158736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.158736 (E_RNA)
where:
Base-Base interactions energy: -104.953
where: short stacking energy: -78.988
Base-Backbone interact. energy: 0.003
local terms energy: -253.208599
where:
bonds (distance) C4'-P energy: -83.428
bonds (distance) P-C4' energy: -86.969
flat angles C4'-P-C4' energy: -63.572
flat angles P-C4'-P energy: -38.167
tors. eta vs tors. theta energy: 18.926
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: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -358.168807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.168807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.168807 (E_RNA)
where:
Base-Base interactions energy: -107.230
where: short stacking energy: -84.406
Base-Backbone interact. energy: 0.948
local terms energy: -251.886553
where:
bonds (distance) C4'-P energy: -71.554
bonds (distance) P-C4' energy: -95.137
flat angles C4'-P-C4' energy: -55.315
flat angles P-C4'-P energy: -47.495
tors. eta vs tors. theta energy: 17.615
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1278.889252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.889252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.889252 (E_RNA)
where:
Base-Base interactions energy: -773.046
where: short stacking energy: -464.666
Base-Backbone interact. energy: -0.835
local terms energy: -505.007953
where:
bonds (distance) C4'-P energy: -90.316
bonds (distance) P-C4' energy: -93.029
flat angles C4'-P-C4' energy: -98.399
flat angles P-C4'-P energy: -72.306
tors. eta vs tors. theta energy: -150.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1070.199827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.199827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.199827 (E_RNA)
where:
Base-Base interactions energy: -620.946
where: short stacking energy: -373.161
Base-Backbone interact. energy: -1.481
local terms energy: -447.772176
where:
bonds (distance) C4'-P energy: -92.974
bonds (distance) P-C4' energy: -95.825
flat angles C4'-P-C4' energy: -81.301
flat angles P-C4'-P energy: -62.810
tors. eta vs tors. theta energy: -114.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -909.421242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.421242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.421242 (E_RNA)
where:
Base-Base interactions energy: -508.226
where: short stacking energy: -317.803
Base-Backbone interact. energy: -2.165
local terms energy: -399.030106
where:
bonds (distance) C4'-P energy: -79.928
bonds (distance) P-C4' energy: -89.665
flat angles C4'-P-C4' energy: -95.003
flat angles P-C4'-P energy: -54.056
tors. eta vs tors. theta energy: -80.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -846.804614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.804614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.804614 (E_RNA)
where:
Base-Base interactions energy: -462.860
where: short stacking energy: -306.752
Base-Backbone interact. energy: 1.066
local terms energy: -385.011260
where:
bonds (distance) C4'-P energy: -76.054
bonds (distance) P-C4' energy: -92.406
flat angles C4'-P-C4' energy: -83.936
flat angles P-C4'-P energy: -60.437
tors. eta vs tors. theta energy: -72.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -703.465957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.465957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.465957 (E_RNA)
where:
Base-Base interactions energy: -344.689
where: short stacking energy: -213.223
Base-Backbone interact. energy: -1.848
local terms energy: -356.929029
where:
bonds (distance) C4'-P energy: -96.551
bonds (distance) P-C4' energy: -77.772
flat angles C4'-P-C4' energy: -90.147
flat angles P-C4'-P energy: -47.997
tors. eta vs tors. theta energy: -44.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -569.414666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.414666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.414666 (E_RNA)
where:
Base-Base interactions energy: -257.368
where: short stacking energy: -191.662
Base-Backbone interact. energy: -2.149
local terms energy: -309.897821
where:
bonds (distance) C4'-P energy: -87.361
bonds (distance) P-C4' energy: -77.622
flat angles C4'-P-C4' energy: -82.509
flat angles P-C4'-P energy: -38.176
tors. eta vs tors. theta energy: -24.230
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: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -441.692447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.692447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.692447 (E_RNA)
where:
Base-Base interactions energy: -145.639
where: short stacking energy: -120.772
Base-Backbone interact. energy: 0.993
local terms energy: -297.046781
where:
bonds (distance) C4'-P energy: -72.808
bonds (distance) P-C4' energy: -85.832
flat angles C4'-P-C4' energy: -80.907
flat angles P-C4'-P energy: -59.743
tors. eta vs tors. theta energy: 2.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -420.065012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.065012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.065012 (E_RNA)
where:
Base-Base interactions energy: -143.155
where: short stacking energy: -129.034
Base-Backbone interact. energy: 1.654
local terms energy: -278.563414
where:
bonds (distance) C4'-P energy: -78.956
bonds (distance) P-C4' energy: -96.854
flat angles C4'-P-C4' energy: -67.940
flat angles P-C4'-P energy: -36.293
tors. eta vs tors. theta energy: 1.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -373.881136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.881136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.881136 (E_RNA)
where:
Base-Base interactions energy: -114.854
where: short stacking energy: -104.977
Base-Backbone interact. energy: -0.468
local terms energy: -258.559671
where:
bonds (distance) C4'-P energy: -70.447
bonds (distance) P-C4' energy: -85.739
flat angles C4'-P-C4' energy: -66.372
flat angles P-C4'-P energy: -37.291
tors. eta vs tors. theta energy: 1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -364.376429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.376429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.376429 (E_RNA)
where:
Base-Base interactions energy: -130.465
where: short stacking energy: -119.438
Base-Backbone interact. energy: -1.178
local terms energy: -232.733342
where:
bonds (distance) C4'-P energy: -64.907
bonds (distance) P-C4' energy: -80.284
flat angles C4'-P-C4' energy: -49.464
flat angles P-C4'-P energy: -40.909
tors. eta vs tors. theta energy: 2.830
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1292.035900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.035900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.035900 (E_RNA)
where:
Base-Base interactions energy: -771.024
where: short stacking energy: -458.403
Base-Backbone interact. energy: -1.175
local terms energy: -519.836386
where:
bonds (distance) C4'-P energy: -89.367
bonds (distance) P-C4' energy: -107.224
flat angles C4'-P-C4' energy: -100.672
flat angles P-C4'-P energy: -77.695
tors. eta vs tors. theta energy: -144.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1097.581324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.581324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.581324 (E_RNA)
where:
Base-Base interactions energy: -622.644
where: short stacking energy: -379.219
Base-Backbone interact. energy: -0.643
local terms energy: -474.294027
where:
bonds (distance) C4'-P energy: -86.784
bonds (distance) P-C4' energy: -92.638
flat angles C4'-P-C4' energy: -113.379
flat angles P-C4'-P energy: -66.550
tors. eta vs tors. theta energy: -114.943
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: 3, replica: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -892.055657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.055657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.055657 (E_RNA)
where:
Base-Base interactions energy: -492.348
where: short stacking energy: -301.323
Base-Backbone interact. energy: 1.693
local terms energy: -401.400435
where:
bonds (distance) C4'-P energy: -89.453
bonds (distance) P-C4' energy: -89.529
flat angles C4'-P-C4' energy: -95.140
flat angles P-C4'-P energy: -62.453
tors. eta vs tors. theta energy: -64.825
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: 192
Temperature: 1.050000
Total energy: -789.402948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.402948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.402948 (E_RNA)
where:
Base-Base interactions energy: -433.741
where: short stacking energy: -277.972
Base-Backbone interact. energy: 1.357
local terms energy: -357.018900
where:
bonds (distance) C4'-P energy: -83.921
bonds (distance) P-C4' energy: -77.174
flat angles C4'-P-C4' energy: -91.270
flat angles P-C4'-P energy: -62.325
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: 5, replica: 9
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -687.514192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.514192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.514192 (E_RNA)
where:
Base-Base interactions energy: -337.475
where: short stacking energy: -231.285
Base-Backbone interact. energy: -0.165
local terms energy: -349.874333
where:
bonds (distance) C4'-P energy: -76.441
bonds (distance) P-C4' energy: -93.861
flat angles C4'-P-C4' energy: -76.969
flat angles P-C4'-P energy: -56.125
tors. eta vs tors. theta energy: -46.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -569.837910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.837910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.837910 (E_RNA)
where:
Base-Base interactions energy: -233.950
where: short stacking energy: -167.425
Base-Backbone interact. energy: -2.816
local terms energy: -333.072502
where:
bonds (distance) C4'-P energy: -85.096
bonds (distance) P-C4' energy: -86.427
flat angles C4'-P-C4' energy: -80.896
flat angles P-C4'-P energy: -58.114
tors. eta vs tors. theta energy: -22.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -428.896833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.896833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.896833 (E_RNA)
where:
Base-Base interactions energy: -154.141
where: short stacking energy: -141.399
Base-Backbone interact. energy: -1.783
local terms energy: -272.972319
where:
bonds (distance) C4'-P energy: -72.093
bonds (distance) P-C4' energy: -82.643
flat angles C4'-P-C4' energy: -66.785
flat angles P-C4'-P energy: -47.863
tors. eta vs tors. theta energy: -3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -460.625875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.625875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.625875 (E_RNA)
where:
Base-Base interactions energy: -155.135
where: short stacking energy: -127.157
Base-Backbone interact. energy: 0.188
local terms energy: -305.678768
where:
bonds (distance) C4'-P energy: -71.915
bonds (distance) P-C4' energy: -100.637
flat angles C4'-P-C4' energy: -74.409
flat angles P-C4'-P energy: -46.219
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -384.101762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.101762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.101762 (E_RNA)
where:
Base-Base interactions energy: -116.843
where: short stacking energy: -109.214
Base-Backbone interact. energy: -2.357
local terms energy: -264.902454
where:
bonds (distance) C4'-P energy: -89.063
bonds (distance) P-C4' energy: -76.311
flat angles C4'-P-C4' energy: -78.537
flat angles P-C4'-P energy: -45.216
tors. eta vs tors. theta energy: 24.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -354.860524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.860524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.860524 (E_RNA)
where:
Base-Base interactions energy: -116.229
where: short stacking energy: -103.353
Base-Backbone interact. energy: 3.792
local terms energy: -242.423682
where:
bonds (distance) C4'-P energy: -80.184
bonds (distance) P-C4' energy: -76.759
flat angles C4'-P-C4' energy: -62.932
flat angles P-C4'-P energy: -45.283
tors. eta vs tors. theta energy: 22.735
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1283.010402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.010402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.010402 (E_RNA)
where:
Base-Base interactions energy: -776.240
where: short stacking energy: -447.159
Base-Backbone interact. energy: -0.102
local terms energy: -506.668819
where:
bonds (distance) C4'-P energy: -97.939
bonds (distance) P-C4' energy: -94.310
flat angles C4'-P-C4' energy: -101.929
flat angles P-C4'-P energy: -71.544
tors. eta vs tors. theta energy: -140.947
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: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1067.424611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.424611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.424611 (E_RNA)
where:
Base-Base interactions energy: -598.469
where: short stacking energy: -378.105
Base-Backbone interact. energy: -1.218
local terms energy: -467.737470
where:
bonds (distance) C4'-P energy: -91.130
bonds (distance) P-C4' energy: -97.637
flat angles C4'-P-C4' energy: -96.963
flat angles P-C4'-P energy: -66.866
tors. eta vs tors. theta energy: -115.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -882.178967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.178967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.178967 (E_RNA)
where:
Base-Base interactions energy: -480.298
where: short stacking energy: -293.814
Base-Backbone interact. energy: -1.370
local terms energy: -400.510336
where:
bonds (distance) C4'-P energy: -90.447
bonds (distance) P-C4' energy: -93.562
flat angles C4'-P-C4' energy: -102.655
flat angles P-C4'-P energy: -52.768
tors. eta vs tors. theta energy: -61.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -837.101454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.101454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.101454 (E_RNA)
where:
Base-Base interactions energy: -443.492
where: short stacking energy: -271.163
Base-Backbone interact. energy: 0.166
local terms energy: -393.775747
where:
bonds (distance) C4'-P energy: -84.072
bonds (distance) P-C4' energy: -101.877
flat angles C4'-P-C4' energy: -77.341
flat angles P-C4'-P energy: -63.229
tors. eta vs tors. theta energy: -67.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -751.122254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.122254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.122254 (E_RNA)
where:
Base-Base interactions energy: -383.360
where: short stacking energy: -259.328
Base-Backbone interact. energy: 1.757
local terms energy: -369.519210
where:
bonds (distance) C4'-P energy: -79.990
bonds (distance) P-C4' energy: -86.912
flat angles C4'-P-C4' energy: -82.216
flat angles P-C4'-P energy: -59.772
tors. eta vs tors. theta energy: -60.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -577.357516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.357516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.357516 (E_RNA)
where:
Base-Base interactions energy: -248.595
where: short stacking energy: -171.054
Base-Backbone interact. energy: -0.425
local terms energy: -328.337310
where:
bonds (distance) C4'-P energy: -85.752
bonds (distance) P-C4' energy: -79.208
flat angles C4'-P-C4' energy: -87.457
flat angles P-C4'-P energy: -55.154
tors. eta vs tors. theta energy: -20.766
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: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -479.876826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.876826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.876826 (E_RNA)
where:
Base-Base interactions energy: -172.696
where: short stacking energy: -135.300
Base-Backbone interact. energy: -1.725
local terms energy: -305.455419
where:
bonds (distance) C4'-P energy: -86.692
bonds (distance) P-C4' energy: -87.594
flat angles C4'-P-C4' energy: -74.540
flat angles P-C4'-P energy: -40.316
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -407.310367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.310367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.310367 (E_RNA)
where:
Base-Base interactions energy: -141.179
where: short stacking energy: -126.751
Base-Backbone interact. energy: 4.338
local terms energy: -270.469967
where:
bonds (distance) C4'-P energy: -76.273
bonds (distance) P-C4' energy: -84.145
flat angles C4'-P-C4' energy: -69.763
flat angles P-C4'-P energy: -46.444
tors. eta vs tors. theta energy: 6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -390.054409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.054409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.054409 (E_RNA)
where:
Base-Base interactions energy: -112.453
where: short stacking energy: -97.470
Base-Backbone interact. energy: 1.919
local terms energy: -279.520509
where:
bonds (distance) C4'-P energy: -84.657
bonds (distance) P-C4' energy: -83.808
flat angles C4'-P-C4' energy: -72.655
flat angles P-C4'-P energy: -41.450
tors. eta vs tors. theta energy: 3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -353.109880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.109880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.109880 (E_RNA)
where:
Base-Base interactions energy: -121.642
where: short stacking energy: -112.892
Base-Backbone interact. energy: 0.984
local terms energy: -232.452236
where:
bonds (distance) C4'-P energy: -73.778
bonds (distance) P-C4' energy: -74.889
flat angles C4'-P-C4' energy: -45.849
flat angles P-C4'-P energy: -39.195
tors. eta vs tors. theta energy: 1.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1288.103742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.103742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.103742 (E_RNA)
where:
Base-Base interactions energy: -771.821
where: short stacking energy: -429.310
Base-Backbone interact. energy: -0.597
local terms energy: -515.685739
where:
bonds (distance) C4'-P energy: -99.268
bonds (distance) P-C4' energy: -93.686
flat angles C4'-P-C4' energy: -111.202
flat angles P-C4'-P energy: -71.837
tors. eta vs tors. theta energy: -139.692
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: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1028.718129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.718129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.718129 (E_RNA)
where:
Base-Base interactions energy: -599.618
where: short stacking energy: -373.597
Base-Backbone interact. energy: -0.722
local terms energy: -428.378257
where:
bonds (distance) C4'-P energy: -85.825
bonds (distance) P-C4' energy: -92.650
flat angles C4'-P-C4' energy: -92.325
flat angles P-C4'-P energy: -60.821
tors. eta vs tors. theta energy: -96.757
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: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -928.330085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.330085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.330085 (E_RNA)
where:
Base-Base interactions energy: -511.426
where: short stacking energy: -343.946
Base-Backbone interact. energy: -0.315
local terms energy: -416.588834
where:
bonds (distance) C4'-P energy: -78.980
bonds (distance) P-C4' energy: -91.560
flat angles C4'-P-C4' energy: -100.153
flat angles P-C4'-P energy: -52.682
tors. eta vs tors. theta energy: -93.214
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: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -795.583337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.583337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.583337 (E_RNA)
where:
Base-Base interactions energy: -418.806
where: short stacking energy: -257.431
Base-Backbone interact. energy: 2.913
local terms energy: -379.689652
where:
bonds (distance) C4'-P energy: -75.350
bonds (distance) P-C4' energy: -106.887
flat angles C4'-P-C4' energy: -83.868
flat angles P-C4'-P energy: -52.724
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: 5, replica: 9
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -706.562480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.562480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.562480 (E_RNA)
where:
Base-Base interactions energy: -356.978
where: short stacking energy: -229.745
Base-Backbone interact. energy: 1.244
local terms energy: -350.828898
where:
bonds (distance) C4'-P energy: -86.220
bonds (distance) P-C4' energy: -98.749
flat angles C4'-P-C4' energy: -74.869
flat angles P-C4'-P energy: -50.015
tors. eta vs tors. theta energy: -40.977
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: 6, replica: 1
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -589.014368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.014368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.014368 (E_RNA)
where:
Base-Base interactions energy: -263.884
where: short stacking energy: -193.485
Base-Backbone interact. energy: -2.281
local terms energy: -322.849263
where:
bonds (distance) C4'-P energy: -82.039
bonds (distance) P-C4' energy: -90.782
flat angles C4'-P-C4' energy: -76.270
flat angles P-C4'-P energy: -47.883
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: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -472.392761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.392761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.392761 (E_RNA)
where:
Base-Base interactions energy: -179.016
where: short stacking energy: -132.579
Base-Backbone interact. energy: -0.404
local terms energy: -292.972565
where:
bonds (distance) C4'-P energy: -89.732
bonds (distance) P-C4' energy: -79.638
flat angles C4'-P-C4' energy: -66.010
flat angles P-C4'-P energy: -45.514
tors. eta vs tors. theta energy: -12.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -416.774894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.774894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.774894 (E_RNA)
where:
Base-Base interactions energy: -142.735
where: short stacking energy: -107.220
Base-Backbone interact. energy: -0.240
local terms energy: -273.799011
where:
bonds (distance) C4'-P energy: -72.627
bonds (distance) P-C4' energy: -84.937
flat angles C4'-P-C4' energy: -74.544
flat angles P-C4'-P energy: -40.577
tors. eta vs tors. theta energy: -1.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -363.575260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.575260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.575260 (E_RNA)
where:
Base-Base interactions energy: -128.355
where: short stacking energy: -106.532
Base-Backbone interact. energy: 3.291
local terms energy: -238.510585
where:
bonds (distance) C4'-P energy: -81.314
bonds (distance) P-C4' energy: -80.953
flat angles C4'-P-C4' energy: -56.471
flat angles P-C4'-P energy: -37.860
tors. eta vs tors. theta energy: 18.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -351.500355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.500355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.500355 (E_RNA)
where:
Base-Base interactions energy: -142.143
where: short stacking energy: -113.562
Base-Backbone interact. energy: -3.308
local terms energy: -206.049900
where:
bonds (distance) C4'-P energy: -65.977
bonds (distance) P-C4' energy: -69.452
flat angles C4'-P-C4' energy: -62.612
flat angles P-C4'-P energy: -21.347
tors. eta vs tors. theta energy: 13.339
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1298.124370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.124370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.124370 (E_RNA)
where:
Base-Base interactions energy: -801.079
where: short stacking energy: -465.961
Base-Backbone interact. energy: -0.613
local terms energy: -496.431607
where:
bonds (distance) C4'-P energy: -88.945
bonds (distance) P-C4' energy: -83.621
flat angles C4'-P-C4' energy: -107.183
flat angles P-C4'-P energy: -72.865
tors. eta vs tors. theta energy: -143.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1044.425983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.425983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.425983 (E_RNA)
where:
Base-Base interactions energy: -572.581
where: short stacking energy: -375.980
Base-Backbone interact. energy: 0.264
local terms energy: -472.108988
where:
bonds (distance) C4'-P energy: -95.351
bonds (distance) P-C4' energy: -105.160
flat angles C4'-P-C4' energy: -96.416
flat angles P-C4'-P energy: -59.985
tors. eta vs tors. theta energy: -115.196
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: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -994.550641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.550641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.550641 (E_RNA)
where:
Base-Base interactions energy: -555.098
where: short stacking energy: -361.205
Base-Backbone interact. energy: -0.319
local terms energy: -439.134063
where:
bonds (distance) C4'-P energy: -87.335
bonds (distance) P-C4' energy: -89.314
flat angles C4'-P-C4' energy: -100.966
flat angles P-C4'-P energy: -58.966
tors. eta vs tors. theta energy: -102.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -797.991686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.991686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.991686 (E_RNA)
where:
Base-Base interactions energy: -418.139
where: short stacking energy: -257.759
Base-Backbone interact. energy: -1.333
local terms energy: -378.519248
where:
bonds (distance) C4'-P energy: -79.097
bonds (distance) P-C4' energy: -91.161
flat angles C4'-P-C4' energy: -99.922
flat angles P-C4'-P energy: -52.218
tors. eta vs tors. theta energy: -56.122
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: 9
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -682.914619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.914619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.914619 (E_RNA)
where:
Base-Base interactions energy: -323.724
where: short stacking energy: -205.882
Base-Backbone interact. energy: 0.609
local terms energy: -359.799956
where:
bonds (distance) C4'-P energy: -89.418
bonds (distance) P-C4' energy: -96.214
flat angles C4'-P-C4' energy: -84.248
flat angles P-C4'-P energy: -54.221
tors. eta vs tors. theta energy: -35.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -581.325364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.325364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.325364 (E_RNA)
where:
Base-Base interactions energy: -239.687
where: short stacking energy: -158.868
Base-Backbone interact. energy: -0.386
local terms energy: -341.251729
where:
bonds (distance) C4'-P energy: -90.572
bonds (distance) P-C4' energy: -86.688
flat angles C4'-P-C4' energy: -73.985
flat angles P-C4'-P energy: -65.362
tors. eta vs tors. theta energy: -24.645
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: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -515.155824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.155824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.155824 (E_RNA)
where:
Base-Base interactions energy: -206.965
where: short stacking energy: -152.484
Base-Backbone interact. energy: -1.052
local terms energy: -307.138773
where:
bonds (distance) C4'-P energy: -97.840
bonds (distance) P-C4' energy: -84.066
flat angles C4'-P-C4' energy: -75.726
flat angles P-C4'-P energy: -50.053
tors. eta vs tors. theta energy: 0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -435.064415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.064415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.064415 (E_RNA)
where:
Base-Base interactions energy: -145.877
where: short stacking energy: -141.424
Base-Backbone interact. energy: -1.157
local terms energy: -288.030600
where:
bonds (distance) C4'-P energy: -62.063
bonds (distance) P-C4' energy: -88.326
flat angles C4'-P-C4' energy: -75.845
flat angles P-C4'-P energy: -57.794
tors. eta vs tors. theta energy: -4.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -403.706333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.706333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.706333 (E_RNA)
where:
Base-Base interactions energy: -135.878
where: short stacking energy: -114.716
Base-Backbone interact. energy: 0.649
local terms energy: -268.476903
where:
bonds (distance) C4'-P energy: -61.825
bonds (distance) P-C4' energy: -99.361
flat angles C4'-P-C4' energy: -69.931
flat angles P-C4'-P energy: -39.194
tors. eta vs tors. theta energy: 1.834
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: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -359.243310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.243310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.243310 (E_RNA)
where:
Base-Base interactions energy: -119.012
where: short stacking energy: -92.651
Base-Backbone interact. energy: 1.266
local terms energy: -241.497063
where:
bonds (distance) C4'-P energy: -78.018
bonds (distance) P-C4' energy: -72.319
flat angles C4'-P-C4' energy: -70.403
flat angles P-C4'-P energy: -43.633
tors. eta vs tors. theta energy: 22.876
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1231.766754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.766754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.766754 (E_RNA)
where:
Base-Base interactions energy: -760.740
where: short stacking energy: -415.191
Base-Backbone interact. energy: -1.712
local terms energy: -469.314240
where:
bonds (distance) C4'-P energy: -78.979
bonds (distance) P-C4' energy: -104.140
flat angles C4'-P-C4' energy: -108.696
flat angles P-C4'-P energy: -56.270
tors. eta vs tors. theta energy: -121.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1042.449775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.449775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.449775 (E_RNA)
where:
Base-Base interactions energy: -607.840
where: short stacking energy: -360.056
Base-Backbone interact. energy: -1.514
local terms energy: -433.096224
where:
bonds (distance) C4'-P energy: -81.343
bonds (distance) P-C4' energy: -94.498
flat angles C4'-P-C4' energy: -88.936
flat angles P-C4'-P energy: -71.980
tors. eta vs tors. theta energy: -96.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -937.787907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.787907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.787907 (E_RNA)
where:
Base-Base interactions energy: -547.552
where: short stacking energy: -356.168
Base-Backbone interact. energy: 0.022
local terms energy: -390.258522
where:
bonds (distance) C4'-P energy: -73.935
bonds (distance) P-C4' energy: -89.022
flat angles C4'-P-C4' energy: -86.836
flat angles P-C4'-P energy: -47.386
tors. eta vs tors. theta energy: -93.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -804.286714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.286714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.286714 (E_RNA)
where:
Base-Base interactions energy: -421.116
where: short stacking energy: -284.189
Base-Backbone interact. energy: -0.681
local terms energy: -382.488916
where:
bonds (distance) C4'-P energy: -82.902
bonds (distance) P-C4' energy: -91.516
flat angles C4'-P-C4' energy: -94.880
flat angles P-C4'-P energy: -47.762
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: 9
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -670.506829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.506829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.506829 (E_RNA)
where:
Base-Base interactions energy: -324.857
where: short stacking energy: -227.954
Base-Backbone interact. energy: 1.252
local terms energy: -346.902288
where:
bonds (distance) C4'-P energy: -88.350
bonds (distance) P-C4' energy: -95.052
flat angles C4'-P-C4' energy: -75.279
flat angles P-C4'-P energy: -45.051
tors. eta vs tors. theta energy: -43.171
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: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -582.048636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.048636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.048636 (E_RNA)
where:
Base-Base interactions energy: -246.871
where: short stacking energy: -166.326
Base-Backbone interact. energy: -0.611
local terms energy: -334.566214
where:
bonds (distance) C4'-P energy: -92.505
bonds (distance) P-C4' energy: -84.520
flat angles C4'-P-C4' energy: -78.680
flat angles P-C4'-P energy: -51.959
tors. eta vs tors. theta energy: -26.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -435.078317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.078317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.078317 (E_RNA)
where:
Base-Base interactions energy: -162.132
where: short stacking energy: -145.830
Base-Backbone interact. energy: -1.675
local terms energy: -271.271264
where:
bonds (distance) C4'-P energy: -81.120
bonds (distance) P-C4' energy: -75.366
flat angles C4'-P-C4' energy: -74.580
flat angles P-C4'-P energy: -35.650
tors. eta vs tors. theta energy: -4.554
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: 7
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -406.153402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.153402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.153402 (E_RNA)
where:
Base-Base interactions energy: -150.861
where: short stacking energy: -116.393
Base-Backbone interact. energy: 0.334
local terms energy: -255.625939
where:
bonds (distance) C4'-P energy: -66.975
bonds (distance) P-C4' energy: -69.598
flat angles C4'-P-C4' energy: -76.875
flat angles P-C4'-P energy: -46.817
tors. eta vs tors. theta energy: 4.639
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: 9, replica: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -380.885718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.885718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.885718 (E_RNA)
where:
Base-Base interactions energy: -124.652
where: short stacking energy: -94.199
Base-Backbone interact. energy: -1.393
local terms energy: -254.840814
where:
bonds (distance) C4'-P energy: -62.212
bonds (distance) P-C4' energy: -75.314
flat angles C4'-P-C4' energy: -78.764
flat angles P-C4'-P energy: -56.946
tors. eta vs tors. theta energy: 18.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -343.913524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.913524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.913524 (E_RNA)
where:
Base-Base interactions energy: -113.994
where: short stacking energy: -100.025
Base-Backbone interact. energy: 3.969
local terms energy: -233.888183
where:
bonds (distance) C4'-P energy: -84.189
bonds (distance) P-C4' energy: -63.781
flat angles C4'-P-C4' energy: -68.720
flat angles P-C4'-P energy: -37.568
tors. eta vs tors. theta energy: 20.370
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1254.978628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.978628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.978628 (E_RNA)
where:
Base-Base interactions energy: -757.607
where: short stacking energy: -444.115
Base-Backbone interact. energy: -0.757
local terms energy: -496.615403
where:
bonds (distance) C4'-P energy: -93.985
bonds (distance) P-C4' energy: -103.385
flat angles C4'-P-C4' energy: -103.540
flat angles P-C4'-P energy: -64.523
tors. eta vs tors. theta energy: -131.182
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: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1048.215064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.215064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.215064 (E_RNA)
where:
Base-Base interactions energy: -609.692
where: short stacking energy: -351.542
Base-Backbone interact. energy: -1.827
local terms energy: -436.695940
where:
bonds (distance) C4'-P energy: -88.173
bonds (distance) P-C4' energy: -91.999
flat angles C4'-P-C4' energy: -97.999
flat angles P-C4'-P energy: -62.098
tors. eta vs tors. theta energy: -96.428
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: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -942.537442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.537442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.537442 (E_RNA)
where:
Base-Base interactions energy: -533.859
where: short stacking energy: -305.549
Base-Backbone interact. energy: -1.333
local terms energy: -407.345513
where:
bonds (distance) C4'-P energy: -81.187
bonds (distance) P-C4' energy: -95.510
flat angles C4'-P-C4' energy: -96.903
flat angles P-C4'-P energy: -58.407
tors. eta vs tors. theta energy: -75.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -829.645489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.645489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.645489 (E_RNA)
where:
Base-Base interactions energy: -447.077
where: short stacking energy: -273.738
Base-Backbone interact. energy: -1.169
local terms energy: -381.399153
where:
bonds (distance) C4'-P energy: -87.550
bonds (distance) P-C4' energy: -93.139
flat angles C4'-P-C4' energy: -85.618
flat angles P-C4'-P energy: -53.317
tors. eta vs tors. theta energy: -61.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -681.975904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.975904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.975904 (E_RNA)
where:
Base-Base interactions energy: -318.180
where: short stacking energy: -218.138
Base-Backbone interact. energy: 0.734
local terms energy: -364.529901
where:
bonds (distance) C4'-P energy: -96.070
bonds (distance) P-C4' energy: -91.378
flat angles C4'-P-C4' energy: -87.988
flat angles P-C4'-P energy: -46.143
tors. eta vs tors. theta energy: -42.952
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: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -595.487944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.487944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.487944 (E_RNA)
where:
Base-Base interactions energy: -290.985
where: short stacking energy: -183.972
Base-Backbone interact. energy: -2.344
local terms energy: -302.158456
where:
bonds (distance) C4'-P energy: -72.812
bonds (distance) P-C4' energy: -90.006
flat angles C4'-P-C4' energy: -78.955
flat angles P-C4'-P energy: -36.450
tors. eta vs tors. theta energy: -23.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -465.931530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.931530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.931530 (E_RNA)
where:
Base-Base interactions energy: -181.810
where: short stacking energy: -132.965
Base-Backbone interact. energy: -0.397
local terms energy: -283.724709
where:
bonds (distance) C4'-P energy: -74.416
bonds (distance) P-C4' energy: -84.600
flat angles C4'-P-C4' energy: -72.305
flat angles P-C4'-P energy: -48.624
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -419.376836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.376836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.376836 (E_RNA)
where:
Base-Base interactions energy: -174.006
where: short stacking energy: -134.485
Base-Backbone interact. energy: 3.721
local terms energy: -249.091717
where:
bonds (distance) C4'-P energy: -53.690
bonds (distance) P-C4' energy: -80.538
flat angles C4'-P-C4' energy: -78.374
flat angles P-C4'-P energy: -36.207
tors. eta vs tors. theta energy: -0.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -371.067064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.067064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.067064 (E_RNA)
where:
Base-Base interactions energy: -107.017
where: short stacking energy: -99.202
Base-Backbone interact. energy: -1.511
local terms energy: -262.539743
where:
bonds (distance) C4'-P energy: -72.953
bonds (distance) P-C4' energy: -69.318
flat angles C4'-P-C4' energy: -67.920
flat angles P-C4'-P energy: -62.115
tors. eta vs tors. theta energy: 9.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -359.459035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.459035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.459035 (E_RNA)
where:
Base-Base interactions energy: -103.982
where: short stacking energy: -99.060
Base-Backbone interact. energy: 3.316
local terms energy: -258.793672
where:
bonds (distance) C4'-P energy: -70.964
bonds (distance) P-C4' energy: -95.721
flat angles C4'-P-C4' energy: -58.671
flat angles P-C4'-P energy: -46.142
tors. eta vs tors. theta energy: 12.704
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1264.503461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.503461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.503461 (E_RNA)
where:
Base-Base interactions energy: -777.782
where: short stacking energy: -440.774
Base-Backbone interact. energy: 0.875
local terms energy: -487.597064
where:
bonds (distance) C4'-P energy: -90.170
bonds (distance) P-C4' energy: -84.756
flat angles C4'-P-C4' energy: -106.754
flat angles P-C4'-P energy: -69.506
tors. eta vs tors. theta energy: -136.412
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: 8
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1045.388065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.388065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.388065 (E_RNA)
where:
Base-Base interactions energy: -592.513
where: short stacking energy: -363.247
Base-Backbone interact. energy: 0.808
local terms energy: -453.682365
where:
bonds (distance) C4'-P energy: -82.373
bonds (distance) P-C4' energy: -96.221
flat angles C4'-P-C4' energy: -108.056
flat angles P-C4'-P energy: -61.783
tors. eta vs tors. theta energy: -105.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -961.758900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.758900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.758900 (E_RNA)
where:
Base-Base interactions energy: -518.072
where: short stacking energy: -338.545
Base-Backbone interact. energy: -1.208
local terms energy: -442.478419
where:
bonds (distance) C4'-P energy: -88.074
bonds (distance) P-C4' energy: -93.957
flat angles C4'-P-C4' energy: -105.315
flat angles P-C4'-P energy: -62.140
tors. eta vs tors. theta energy: -92.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -852.326560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.326560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.326560 (E_RNA)
where:
Base-Base interactions energy: -445.936
where: short stacking energy: -265.259
Base-Backbone interact. energy: -0.241
local terms energy: -406.148974
where:
bonds (distance) C4'-P energy: -102.155
bonds (distance) P-C4' energy: -91.152
flat angles C4'-P-C4' energy: -85.358
flat angles P-C4'-P energy: -65.148
tors. eta vs tors. theta energy: -62.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -669.021968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.021968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.021968 (E_RNA)
where:
Base-Base interactions energy: -331.861
where: short stacking energy: -230.925
Base-Backbone interact. energy: -0.030
local terms energy: -337.130322
where:
bonds (distance) C4'-P energy: -80.641
bonds (distance) P-C4' energy: -85.457
flat angles C4'-P-C4' energy: -80.022
flat angles P-C4'-P energy: -54.166
tors. eta vs tors. theta energy: -36.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -611.645500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.645500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.645500 (E_RNA)
where:
Base-Base interactions energy: -277.076
where: short stacking energy: -196.923
Base-Backbone interact. energy: 4.625
local terms energy: -339.194243
where:
bonds (distance) C4'-P energy: -77.447
bonds (distance) P-C4' energy: -98.316
flat angles C4'-P-C4' energy: -76.328
flat angles P-C4'-P energy: -56.038
tors. eta vs tors. theta energy: -31.066
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: 198
Temperature: 1.200000
Total energy: -433.231735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.231735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.231735 (E_RNA)
where:
Base-Base interactions energy: -140.582
where: short stacking energy: -125.479
Base-Backbone interact. energy: 0.555
local terms energy: -293.204946
where:
bonds (distance) C4'-P energy: -84.904
bonds (distance) P-C4' energy: -96.218
flat angles C4'-P-C4' energy: -59.676
flat angles P-C4'-P energy: -54.234
tors. eta vs tors. theta energy: 1.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -402.048762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.048762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.048762 (E_RNA)
where:
Base-Base interactions energy: -148.857
where: short stacking energy: -131.378
Base-Backbone interact. energy: -0.140
local terms energy: -253.051241
where:
bonds (distance) C4'-P energy: -66.193
bonds (distance) P-C4' energy: -86.379
flat angles C4'-P-C4' energy: -70.033
flat angles P-C4'-P energy: -35.550
tors. eta vs tors. theta energy: 5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -370.792725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.792725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.792725 (E_RNA)
where:
Base-Base interactions energy: -140.557
where: short stacking energy: -125.631
Base-Backbone interact. energy: 1.463
local terms energy: -231.698999
where:
bonds (distance) C4'-P energy: -74.293
bonds (distance) P-C4' energy: -74.390
flat angles C4'-P-C4' energy: -62.300
flat angles P-C4'-P energy: -36.636
tors. eta vs tors. theta energy: 15.919
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: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -369.116072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.116072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.116072 (E_RNA)
where:
Base-Base interactions energy: -109.251
where: short stacking energy: -98.998
Base-Backbone interact. energy: 1.806
local terms energy: -261.670271
where:
bonds (distance) C4'-P energy: -80.355
bonds (distance) P-C4' energy: -71.747
flat angles C4'-P-C4' energy: -81.816
flat angles P-C4'-P energy: -42.746
tors. eta vs tors. theta energy: 14.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1247.078012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.078012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.078012 (E_RNA)
where:
Base-Base interactions energy: -759.706
where: short stacking energy: -418.986
Base-Backbone interact. energy: -0.378
local terms energy: -486.994825
where:
bonds (distance) C4'-P energy: -97.761
bonds (distance) P-C4' energy: -86.083
flat angles C4'-P-C4' energy: -106.459
flat angles P-C4'-P energy: -71.555
tors. eta vs tors. theta energy: -125.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1046.405836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.405836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.405836 (E_RNA)
where:
Base-Base interactions energy: -603.230
where: short stacking energy: -374.969
Base-Backbone interact. energy: -1.023
local terms energy: -442.153158
where:
bonds (distance) C4'-P energy: -84.604
bonds (distance) P-C4' energy: -88.776
flat angles C4'-P-C4' energy: -98.488
flat angles P-C4'-P energy: -65.325
tors. eta vs tors. theta energy: -104.960
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: 3, replica: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -988.458090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.458090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.458090 (E_RNA)
where:
Base-Base interactions energy: -555.212
where: short stacking energy: -346.983
Base-Backbone interact. energy: -0.612
local terms energy: -432.633284
where:
bonds (distance) C4'-P energy: -93.645
bonds (distance) P-C4' energy: -88.354
flat angles C4'-P-C4' energy: -100.574
flat angles P-C4'-P energy: -64.422
tors. eta vs tors. theta energy: -85.638
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: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -872.449097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.449097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.449097 (E_RNA)
where:
Base-Base interactions energy: -476.191
where: short stacking energy: -283.300
Base-Backbone interact. energy: -0.983
local terms energy: -395.275091
where:
bonds (distance) C4'-P energy: -89.364
bonds (distance) P-C4' energy: -87.540
flat angles C4'-P-C4' energy: -87.140
flat angles P-C4'-P energy: -59.211
tors. eta vs tors. theta energy: -72.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -659.394398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.394398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.394398 (E_RNA)
where:
Base-Base interactions energy: -335.064
where: short stacking energy: -210.942
Base-Backbone interact. energy: -0.094
local terms energy: -324.237038
where:
bonds (distance) C4'-P energy: -70.289
bonds (distance) P-C4' energy: -88.339
flat angles C4'-P-C4' energy: -83.153
flat angles P-C4'-P energy: -47.617
tors. eta vs tors. theta energy: -34.839
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: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -592.422871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.422871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.422871 (E_RNA)
where:
Base-Base interactions energy: -250.195
where: short stacking energy: -208.813
Base-Backbone interact. energy: -0.831
local terms energy: -341.396970
where:
bonds (distance) C4'-P energy: -78.874
bonds (distance) P-C4' energy: -81.651
flat angles C4'-P-C4' energy: -79.952
flat angles P-C4'-P energy: -59.714
tors. eta vs tors. theta energy: -41.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -440.314122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.314122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.314122 (E_RNA)
where:
Base-Base interactions energy: -134.029
where: short stacking energy: -126.237
Base-Backbone interact. energy: 0.223
local terms energy: -306.508146
where:
bonds (distance) C4'-P energy: -78.681
bonds (distance) P-C4' energy: -89.906
flat angles C4'-P-C4' energy: -63.628
flat angles P-C4'-P energy: -62.513
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: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -433.522118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.522118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.522118 (E_RNA)
where:
Base-Base interactions energy: -156.604
where: short stacking energy: -124.967
Base-Backbone interact. energy: 1.030
local terms energy: -277.948352
where:
bonds (distance) C4'-P energy: -80.526
bonds (distance) P-C4' energy: -87.072
flat angles C4'-P-C4' energy: -65.069
flat angles P-C4'-P energy: -25.234
tors. eta vs tors. theta energy: -20.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -382.372322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.372322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.372322 (E_RNA)
where:
Base-Base interactions energy: -106.549
where: short stacking energy: -104.229
Base-Backbone interact. energy: 3.633
local terms energy: -279.456311
where:
bonds (distance) C4'-P energy: -72.706
bonds (distance) P-C4' energy: -86.881
flat angles C4'-P-C4' energy: -82.615
flat angles P-C4'-P energy: -50.622
tors. eta vs tors. theta energy: 13.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -356.090005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.090005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.090005 (E_RNA)
where:
Base-Base interactions energy: -108.907
where: short stacking energy: -95.688
Base-Backbone interact. energy: 2.027
local terms energy: -249.210037
where:
bonds (distance) C4'-P energy: -74.867
bonds (distance) P-C4' energy: -84.799
flat angles C4'-P-C4' energy: -57.274
flat angles P-C4'-P energy: -27.771
tors. eta vs tors. theta energy: -4.499
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1251.969102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.969102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.969102 (E_RNA)
where:
Base-Base interactions energy: -746.731
where: short stacking energy: -419.711
Base-Backbone interact. energy: -0.527
local terms energy: -504.711861
where:
bonds (distance) C4'-P energy: -96.929
bonds (distance) P-C4' energy: -99.639
flat angles C4'-P-C4' energy: -105.522
flat angles P-C4'-P energy: -65.117
tors. eta vs tors. theta energy: -137.505
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: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1027.366924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.366924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.366924 (E_RNA)
where:
Base-Base interactions energy: -588.579
where: short stacking energy: -361.496
Base-Backbone interact. energy: -1.546
local terms energy: -437.241151
where:
bonds (distance) C4'-P energy: -95.089
bonds (distance) P-C4' energy: -93.115
flat angles C4'-P-C4' energy: -94.349
flat angles P-C4'-P energy: -54.025
tors. eta vs tors. theta energy: -100.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -979.488846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.488846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.488846 (E_RNA)
where:
Base-Base interactions energy: -550.321
where: short stacking energy: -349.048
Base-Backbone interact. energy: -0.383
local terms energy: -428.785554
where:
bonds (distance) C4'-P energy: -81.698
bonds (distance) P-C4' energy: -95.983
flat angles C4'-P-C4' energy: -93.912
flat angles P-C4'-P energy: -53.789
tors. eta vs tors. theta energy: -103.403
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: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -821.721332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.721332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.721332 (E_RNA)
where:
Base-Base interactions energy: -450.622
where: short stacking energy: -266.401
Base-Backbone interact. energy: -0.470
local terms energy: -370.629450
where:
bonds (distance) C4'-P energy: -75.196
bonds (distance) P-C4' energy: -84.366
flat angles C4'-P-C4' energy: -95.171
flat angles P-C4'-P energy: -44.225
tors. eta vs tors. theta energy: -71.672
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: 5, replica: 9
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -652.316218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.316218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.316218 (E_RNA)
where:
Base-Base interactions energy: -312.980
where: short stacking energy: -186.882
Base-Backbone interact. energy: -1.078
local terms energy: -338.258181
where:
bonds (distance) C4'-P energy: -81.469
bonds (distance) P-C4' energy: -93.861
flat angles C4'-P-C4' energy: -68.692
flat angles P-C4'-P energy: -49.877
tors. eta vs tors. theta energy: -44.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -568.256823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.256823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.256823 (E_RNA)
where:
Base-Base interactions energy: -249.019
where: short stacking energy: -182.932
Base-Backbone interact. energy: -0.377
local terms energy: -318.861621
where:
bonds (distance) C4'-P energy: -79.224
bonds (distance) P-C4' energy: -86.981
flat angles C4'-P-C4' energy: -80.224
flat angles P-C4'-P energy: -51.349
tors. eta vs tors. theta energy: -21.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -455.943778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.943778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.943778 (E_RNA)
where:
Base-Base interactions energy: -171.728
where: short stacking energy: -157.969
Base-Backbone interact. energy: 3.607
local terms energy: -287.822586
where:
bonds (distance) C4'-P energy: -79.845
bonds (distance) P-C4' energy: -73.072
flat angles C4'-P-C4' energy: -70.840
flat angles P-C4'-P energy: -51.140
tors. eta vs tors. theta energy: -12.926
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: 10
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -432.932833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.932833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.932833 (E_RNA)
where:
Base-Base interactions energy: -159.504
where: short stacking energy: -150.880
Base-Backbone interact. energy: -0.561
local terms energy: -272.868163
where:
bonds (distance) C4'-P energy: -75.372
bonds (distance) P-C4' energy: -80.199
flat angles C4'-P-C4' energy: -71.328
flat angles P-C4'-P energy: -43.647
tors. eta vs tors. theta energy: -2.323
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: 9, replica: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -388.864404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.864404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.864404 (E_RNA)
where:
Base-Base interactions energy: -119.631
where: short stacking energy: -107.174
Base-Backbone interact. energy: -1.068
local terms energy: -268.166303
where:
bonds (distance) C4'-P energy: -76.683
bonds (distance) P-C4' energy: -78.042
flat angles C4'-P-C4' energy: -81.272
flat angles P-C4'-P energy: -38.663
tors. eta vs tors. theta energy: 6.494
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: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -379.500313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.500313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.500313 (E_RNA)
where:
Base-Base interactions energy: -127.247
where: short stacking energy: -116.201
Base-Backbone interact. energy: 1.228
local terms energy: -253.481215
where:
bonds (distance) C4'-P energy: -76.524
bonds (distance) P-C4' energy: -74.176
flat angles C4'-P-C4' energy: -61.217
flat angles P-C4'-P energy: -35.858
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1275.895454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.895454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.895454 (E_RNA)
where:
Base-Base interactions energy: -777.766
where: short stacking energy: -437.462
Base-Backbone interact. energy: -1.183
local terms energy: -496.945554
where:
bonds (distance) C4'-P energy: -88.271
bonds (distance) P-C4' energy: -100.273
flat angles C4'-P-C4' energy: -104.391
flat angles P-C4'-P energy: -76.815
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: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1001.732302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.732302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.732302 (E_RNA)
where:
Base-Base interactions energy: -562.150
where: short stacking energy: -349.334
Base-Backbone interact. energy: -1.059
local terms energy: -438.523576
where:
bonds (distance) C4'-P energy: -84.505
bonds (distance) P-C4' energy: -89.750
flat angles C4'-P-C4' energy: -113.401
flat angles P-C4'-P energy: -56.540
tors. eta vs tors. theta energy: -94.328
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: 3, replica: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -995.456407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.456407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.456407 (E_RNA)
where:
Base-Base interactions energy: -562.728
where: short stacking energy: -319.127
Base-Backbone interact. energy: -1.597
local terms energy: -431.131595
where:
bonds (distance) C4'-P energy: -85.272
bonds (distance) P-C4' energy: -98.338
flat angles C4'-P-C4' energy: -100.981
flat angles P-C4'-P energy: -50.273
tors. eta vs tors. theta energy: -96.267
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: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -835.203801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.203801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.203801 (E_RNA)
where:
Base-Base interactions energy: -470.877
where: short stacking energy: -267.836
Base-Backbone interact. energy: -3.458
local terms energy: -360.868226
where:
bonds (distance) C4'-P energy: -79.567
bonds (distance) P-C4' energy: -82.887
flat angles C4'-P-C4' energy: -93.611
flat angles P-C4'-P energy: -41.994
tors. eta vs tors. theta energy: -62.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -654.387538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.387538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.387538 (E_RNA)
where:
Base-Base interactions energy: -308.037
where: short stacking energy: -210.437
Base-Backbone interact. energy: 2.123
local terms energy: -348.473038
where:
bonds (distance) C4'-P energy: -79.177
bonds (distance) P-C4' energy: -88.042
flat angles C4'-P-C4' energy: -89.030
flat angles P-C4'-P energy: -54.690
tors. eta vs tors. theta energy: -37.534
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: 201
Temperature: 1.150000
Total energy: -537.704596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.704596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.704596 (E_RNA)
where:
Base-Base interactions energy: -220.154
where: short stacking energy: -159.643
Base-Backbone interact. energy: -0.003
local terms energy: -317.547346
where:
bonds (distance) C4'-P energy: -85.315
bonds (distance) P-C4' energy: -91.668
flat angles C4'-P-C4' energy: -61.851
flat angles P-C4'-P energy: -49.909
tors. eta vs tors. theta energy: -28.804
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: 201
Temperature: 1.200000
Total energy: -504.861499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.861499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.861499 (E_RNA)
where:
Base-Base interactions energy: -209.774
where: short stacking energy: -144.640
Base-Backbone interact. energy: -0.625
local terms energy: -294.462439
where:
bonds (distance) C4'-P energy: -88.083
bonds (distance) P-C4' energy: -78.109
flat angles C4'-P-C4' energy: -68.639
flat angles P-C4'-P energy: -51.100
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: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -436.558177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.558177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.558177 (E_RNA)
where:
Base-Base interactions energy: -165.244
where: short stacking energy: -137.719
Base-Backbone interact. energy: 0.932
local terms energy: -272.246623
where:
bonds (distance) C4'-P energy: -70.765
bonds (distance) P-C4' energy: -92.089
flat angles C4'-P-C4' energy: -68.211
flat angles P-C4'-P energy: -27.435
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -368.585706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.585706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.585706 (E_RNA)
where:
Base-Base interactions energy: -131.792
where: short stacking energy: -99.404
Base-Backbone interact. energy: 0.876
local terms energy: -237.669594
where:
bonds (distance) C4'-P energy: -72.042
bonds (distance) P-C4' energy: -85.587
flat angles C4'-P-C4' energy: -65.106
flat angles P-C4'-P energy: -26.646
tors. eta vs tors. theta energy: 11.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -341.984992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.984992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.984992 (E_RNA)
where:
Base-Base interactions energy: -117.647
where: short stacking energy: -102.938
Base-Backbone interact. energy: 0.279
local terms energy: -224.616935
where:
bonds (distance) C4'-P energy: -63.855
bonds (distance) P-C4' energy: -88.940
flat angles C4'-P-C4' energy: -52.669
flat angles P-C4'-P energy: -31.609
tors. eta vs tors. theta energy: 12.455
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1258.995976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.995976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.995976 (E_RNA)
where:
Base-Base interactions energy: -768.828
where: short stacking energy: -436.663
Base-Backbone interact. energy: -1.011
local terms energy: -489.157138
where:
bonds (distance) C4'-P energy: -89.377
bonds (distance) P-C4' energy: -86.021
flat angles C4'-P-C4' energy: -104.044
flat angles P-C4'-P energy: -72.605
tors. eta vs tors. theta energy: -137.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1006.644812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.644812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.644812 (E_RNA)
where:
Base-Base interactions energy: -558.505
where: short stacking energy: -370.846
Base-Backbone interact. energy: -0.484
local terms energy: -447.655382
where:
bonds (distance) C4'-P energy: -85.136
bonds (distance) P-C4' energy: -96.676
flat angles C4'-P-C4' energy: -94.138
flat angles P-C4'-P energy: -67.912
tors. eta vs tors. theta energy: -103.793
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: 8
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -957.287118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.287118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.287118 (E_RNA)
where:
Base-Base interactions energy: -513.876
where: short stacking energy: -332.952
Base-Backbone interact. energy: -0.645
local terms energy: -442.766411
where:
bonds (distance) C4'-P energy: -97.516
bonds (distance) P-C4' energy: -87.939
flat angles C4'-P-C4' energy: -98.429
flat angles P-C4'-P energy: -56.183
tors. eta vs tors. theta energy: -102.701
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: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -829.916891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.916891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.916891 (E_RNA)
where:
Base-Base interactions energy: -444.407
where: short stacking energy: -259.730
Base-Backbone interact. energy: -3.154
local terms energy: -382.356111
where:
bonds (distance) C4'-P energy: -83.063
bonds (distance) P-C4' energy: -84.435
flat angles C4'-P-C4' energy: -101.925
flat angles P-C4'-P energy: -55.180
tors. eta vs tors. theta energy: -57.753
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: 5, replica: 9
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -631.431665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.431665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.431665 (E_RNA)
where:
Base-Base interactions energy: -296.288
where: short stacking energy: -204.087
Base-Backbone interact. energy: -0.975
local terms energy: -334.168703
where:
bonds (distance) C4'-P energy: -81.494
bonds (distance) P-C4' energy: -91.111
flat angles C4'-P-C4' energy: -74.974
flat angles P-C4'-P energy: -46.362
tors. eta vs tors. theta energy: -40.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -514.192356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.192356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.192356 (E_RNA)
where:
Base-Base interactions energy: -199.755
where: short stacking energy: -162.661
Base-Backbone interact. energy: 0.070
local terms energy: -314.507150
where:
bonds (distance) C4'-P energy: -82.506
bonds (distance) P-C4' energy: -96.321
flat angles C4'-P-C4' energy: -54.374
flat angles P-C4'-P energy: -62.058
tors. eta vs tors. theta energy: -19.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -527.520486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.520486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.520486 (E_RNA)
where:
Base-Base interactions energy: -220.686
where: short stacking energy: -180.369
Base-Backbone interact. energy: 2.988
local terms energy: -309.822487
where:
bonds (distance) C4'-P energy: -62.911
bonds (distance) P-C4' energy: -80.351
flat angles C4'-P-C4' energy: -78.945
flat angles P-C4'-P energy: -53.665
tors. eta vs tors. theta energy: -33.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -429.688658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.688658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.688658 (E_RNA)
where:
Base-Base interactions energy: -143.630
where: short stacking energy: -127.016
Base-Backbone interact. energy: -2.054
local terms energy: -284.003971
where:
bonds (distance) C4'-P energy: -88.601
bonds (distance) P-C4' energy: -85.919
flat angles C4'-P-C4' energy: -79.368
flat angles P-C4'-P energy: -48.873
tors. eta vs tors. theta energy: 18.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -380.207727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.207727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.207727 (E_RNA)
where:
Base-Base interactions energy: -133.396
where: short stacking energy: -108.354
Base-Backbone interact. energy: 2.831
local terms energy: -249.643159
where:
bonds (distance) C4'-P energy: -82.655
bonds (distance) P-C4' energy: -83.898
flat angles C4'-P-C4' energy: -64.491
flat angles P-C4'-P energy: -36.127
tors. eta vs tors. theta energy: 17.528
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: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -382.815436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.815436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.815436 (E_RNA)
where:
Base-Base interactions energy: -120.752
where: short stacking energy: -103.070
Base-Backbone interact. energy: 3.872
local terms energy: -265.935117
where:
bonds (distance) C4'-P energy: -79.555
bonds (distance) P-C4' energy: -86.825
flat angles C4'-P-C4' energy: -73.519
flat angles P-C4'-P energy: -47.389
tors. eta vs tors. theta energy: 21.353
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1251.648044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.648044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.648044 (E_RNA)
where:
Base-Base interactions energy: -752.692
where: short stacking energy: -446.684
Base-Backbone interact. energy: 4.900
local terms energy: -503.855772
where:
bonds (distance) C4'-P energy: -102.702
bonds (distance) P-C4' energy: -95.318
flat angles C4'-P-C4' energy: -106.264
flat angles P-C4'-P energy: -69.577
tors. eta vs tors. theta energy: -129.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1038.242953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.242953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.242953 (E_RNA)
where:
Base-Base interactions energy: -575.034
where: short stacking energy: -345.495
Base-Backbone interact. energy: 0.523
local terms energy: -463.731567
where:
bonds (distance) C4'-P energy: -85.976
bonds (distance) P-C4' energy: -95.431
flat angles C4'-P-C4' energy: -99.066
flat angles P-C4'-P energy: -67.934
tors. eta vs tors. theta energy: -115.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -969.048900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.048900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.048900 (E_RNA)
where:
Base-Base interactions energy: -559.605
where: short stacking energy: -351.198
Base-Backbone interact. energy: -0.550
local terms energy: -408.893943
where:
bonds (distance) C4'-P energy: -77.609
bonds (distance) P-C4' energy: -91.476
flat angles C4'-P-C4' energy: -96.315
flat angles P-C4'-P energy: -56.038
tors. eta vs tors. theta energy: -87.456
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: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -805.580370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.580370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.580370 (E_RNA)
where:
Base-Base interactions energy: -434.895
where: short stacking energy: -246.187
Base-Backbone interact. energy: -0.011
local terms energy: -370.674058
where:
bonds (distance) C4'-P energy: -97.002
bonds (distance) P-C4' energy: -94.735
flat angles C4'-P-C4' energy: -79.993
flat angles P-C4'-P energy: -61.615
tors. eta vs tors. theta energy: -37.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -648.681928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.681928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.681928 (E_RNA)
where:
Base-Base interactions energy: -314.376
where: short stacking energy: -215.666
Base-Backbone interact. energy: 3.725
local terms energy: -338.030032
where:
bonds (distance) C4'-P energy: -99.808
bonds (distance) P-C4' energy: -87.696
flat angles C4'-P-C4' energy: -83.974
flat angles P-C4'-P energy: -39.992
tors. eta vs tors. theta energy: -26.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -562.028138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.028138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.028138 (E_RNA)
where:
Base-Base interactions energy: -221.742
where: short stacking energy: -174.976
Base-Backbone interact. energy: 0.470
local terms energy: -340.756435
where:
bonds (distance) C4'-P energy: -86.313
bonds (distance) P-C4' energy: -86.080
flat angles C4'-P-C4' energy: -86.366
flat angles P-C4'-P energy: -50.260
tors. eta vs tors. theta energy: -31.737
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: 1
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -527.058594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.058594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.058594 (E_RNA)
where:
Base-Base interactions energy: -235.464
where: short stacking energy: -189.563
Base-Backbone interact. energy: -1.115
local terms energy: -290.479534
where:
bonds (distance) C4'-P energy: -72.795
bonds (distance) P-C4' energy: -80.512
flat angles C4'-P-C4' energy: -71.221
flat angles P-C4'-P energy: -37.456
tors. eta vs tors. theta energy: -28.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -385.480567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.480567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.480567 (E_RNA)
where:
Base-Base interactions energy: -146.301
where: short stacking energy: -138.040
Base-Backbone interact. energy: 4.536
local terms energy: -243.716222
where:
bonds (distance) C4'-P energy: -63.514
bonds (distance) P-C4' energy: -84.757
flat angles C4'-P-C4' energy: -69.001
flat angles P-C4'-P energy: -29.938
tors. eta vs tors. theta energy: 3.495
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: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -392.379104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.379104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.379104 (E_RNA)
where:
Base-Base interactions energy: -111.603
where: short stacking energy: -104.031
Base-Backbone interact. energy: -0.980
local terms energy: -279.795894
where:
bonds (distance) C4'-P energy: -74.339
bonds (distance) P-C4' energy: -91.753
flat angles C4'-P-C4' energy: -60.645
flat angles P-C4'-P energy: -48.596
tors. eta vs tors. theta energy: -4.463
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: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -356.601455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.601455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.601455 (E_RNA)
where:
Base-Base interactions energy: -116.362
where: short stacking energy: -106.825
Base-Backbone interact. energy: -0.914
local terms energy: -239.325130
where:
bonds (distance) C4'-P energy: -70.617
bonds (distance) P-C4' energy: -86.126
flat angles C4'-P-C4' energy: -63.324
flat angles P-C4'-P energy: -39.230
tors. eta vs tors. theta energy: 19.973
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1243.439504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.439504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.439504 (E_RNA)
where:
Base-Base interactions energy: -758.545
where: short stacking energy: -433.621
Base-Backbone interact. energy: -0.741
local terms energy: -484.153615
where:
bonds (distance) C4'-P energy: -93.140
bonds (distance) P-C4' energy: -93.146
flat angles C4'-P-C4' energy: -108.577
flat angles P-C4'-P energy: -62.957
tors. eta vs tors. theta energy: -126.334
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: 2, replica: 8
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1056.564330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.564330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.564330 (E_RNA)
where:
Base-Base interactions energy: -596.150
where: short stacking energy: -383.319
Base-Backbone interact. energy: 1.722
local terms energy: -462.136850
where:
bonds (distance) C4'-P energy: -92.937
bonds (distance) P-C4' energy: -94.606
flat angles C4'-P-C4' energy: -92.305
flat angles P-C4'-P energy: -68.821
tors. eta vs tors. theta energy: -113.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -961.828095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.828095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.828095 (E_RNA)
where:
Base-Base interactions energy: -522.918
where: short stacking energy: -330.023
Base-Backbone interact. energy: 0.020
local terms energy: -438.930051
where:
bonds (distance) C4'-P energy: -94.262
bonds (distance) P-C4' energy: -95.376
flat angles C4'-P-C4' energy: -83.012
flat angles P-C4'-P energy: -66.884
tors. eta vs tors. theta energy: -99.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -853.814633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.814633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.814633 (E_RNA)
where:
Base-Base interactions energy: -460.606
where: short stacking energy: -273.177
Base-Backbone interact. energy: -1.129
local terms energy: -392.079501
where:
bonds (distance) C4'-P energy: -85.353
bonds (distance) P-C4' energy: -91.272
flat angles C4'-P-C4' energy: -84.556
flat angles P-C4'-P energy: -57.235
tors. eta vs tors. theta energy: -73.662
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: 5, replica: 9
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -657.265499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.265499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.265499 (E_RNA)
where:
Base-Base interactions energy: -319.892
where: short stacking energy: -224.009
Base-Backbone interact. energy: -1.151
local terms energy: -336.222972
where:
bonds (distance) C4'-P energy: -85.012
bonds (distance) P-C4' energy: -75.111
flat angles C4'-P-C4' energy: -78.952
flat angles P-C4'-P energy: -56.409
tors. eta vs tors. theta energy: -40.739
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: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -548.525857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.525857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.525857 (E_RNA)
where:
Base-Base interactions energy: -235.886
where: short stacking energy: -179.057
Base-Backbone interact. energy: -0.366
local terms energy: -312.273841
where:
bonds (distance) C4'-P energy: -63.406
bonds (distance) P-C4' energy: -96.717
flat angles C4'-P-C4' energy: -80.378
flat angles P-C4'-P energy: -34.726
tors. eta vs tors. theta energy: -37.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -546.065705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.065705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.065705 (E_RNA)
where:
Base-Base interactions energy: -237.862
where: short stacking energy: -188.213
Base-Backbone interact. energy: 1.476
local terms energy: -309.680368
where:
bonds (distance) C4'-P energy: -71.239
bonds (distance) P-C4' energy: -90.602
flat angles C4'-P-C4' energy: -75.115
flat angles P-C4'-P energy: -50.819
tors. eta vs tors. theta energy: -21.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -415.646885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.646885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.646885 (E_RNA)
where:
Base-Base interactions energy: -149.973
where: short stacking energy: -135.870
Base-Backbone interact. energy: 0.312
local terms energy: -265.986132
where:
bonds (distance) C4'-P energy: -75.191
bonds (distance) P-C4' energy: -71.399
flat angles C4'-P-C4' energy: -70.727
flat angles P-C4'-P energy: -45.329
tors. eta vs tors. theta energy: -3.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -386.883595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.883595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.883595 (E_RNA)
where:
Base-Base interactions energy: -122.287
where: short stacking energy: -98.416
Base-Backbone interact. energy: -1.693
local terms energy: -262.903559
where:
bonds (distance) C4'-P energy: -77.078
bonds (distance) P-C4' energy: -77.786
flat angles C4'-P-C4' energy: -60.842
flat angles P-C4'-P energy: -45.854
tors. eta vs tors. theta energy: -1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -369.510846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.510846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.510846 (E_RNA)
where:
Base-Base interactions energy: -120.669
where: short stacking energy: -96.290
Base-Backbone interact. energy: 2.519
local terms energy: -251.360445
where:
bonds (distance) C4'-P energy: -85.036
bonds (distance) P-C4' energy: -71.043
flat angles C4'-P-C4' energy: -53.277
flat angles P-C4'-P energy: -49.114
tors. eta vs tors. theta energy: 7.110
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1245.300858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.300858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.300858 (E_RNA)
where:
Base-Base interactions energy: -765.543
where: short stacking energy: -433.000
Base-Backbone interact. energy: -0.932
local terms energy: -478.826049
where:
bonds (distance) C4'-P energy: -97.425
bonds (distance) P-C4' energy: -92.499
flat angles C4'-P-C4' energy: -97.377
flat angles P-C4'-P energy: -64.104
tors. eta vs tors. theta energy: -127.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1076.552108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.552108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.552108 (E_RNA)
where:
Base-Base interactions energy: -632.269
where: short stacking energy: -391.272
Base-Backbone interact. energy: -0.601
local terms energy: -443.682051
where:
bonds (distance) C4'-P energy: -89.967
bonds (distance) P-C4' energy: -86.541
flat angles C4'-P-C4' energy: -98.730
flat angles P-C4'-P energy: -57.664
tors. eta vs tors. theta energy: -110.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -994.597360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.597360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.597360 (E_RNA)
where:
Base-Base interactions energy: -565.639
where: short stacking energy: -357.389
Base-Backbone interact. energy: -2.282
local terms energy: -426.676609
where:
bonds (distance) C4'-P energy: -91.793
bonds (distance) P-C4' energy: -86.319
flat angles C4'-P-C4' energy: -91.073
flat angles P-C4'-P energy: -61.916
tors. eta vs tors. theta energy: -95.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -812.250414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.250414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.250414 (E_RNA)
where:
Base-Base interactions energy: -430.897
where: short stacking energy: -258.779
Base-Backbone interact. energy: -2.006
local terms energy: -379.346885
where:
bonds (distance) C4'-P energy: -80.324
bonds (distance) P-C4' energy: -82.595
flat angles C4'-P-C4' energy: -91.591
flat angles P-C4'-P energy: -63.514
tors. eta vs tors. theta energy: -61.322
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: 9
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -606.698330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.698330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.698330 (E_RNA)
where:
Base-Base interactions energy: -254.309
where: short stacking energy: -189.465
Base-Backbone interact. energy: -1.158
local terms energy: -351.230844
where:
bonds (distance) C4'-P energy: -82.888
bonds (distance) P-C4' energy: -91.266
flat angles C4'-P-C4' energy: -85.422
flat angles P-C4'-P energy: -62.035
tors. eta vs tors. theta energy: -29.619
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: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -557.433820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.433820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.433820 (E_RNA)
where:
Base-Base interactions energy: -259.047
where: short stacking energy: -177.810
Base-Backbone interact. energy: 4.025
local terms energy: -302.411863
where:
bonds (distance) C4'-P energy: -86.949
bonds (distance) P-C4' energy: -89.716
flat angles C4'-P-C4' energy: -68.643
flat angles P-C4'-P energy: -45.641
tors. eta vs tors. theta energy: -11.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -518.687245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.687245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.687245 (E_RNA)
where:
Base-Base interactions energy: -214.264
where: short stacking energy: -166.196
Base-Backbone interact. energy: 3.496
local terms energy: -307.918885
where:
bonds (distance) C4'-P energy: -87.803
bonds (distance) P-C4' energy: -86.983
flat angles C4'-P-C4' energy: -79.888
flat angles P-C4'-P energy: -39.796
tors. eta vs tors. theta energy: -13.448
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: 8, replica: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -401.130044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.130044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.130044 (E_RNA)
where:
Base-Base interactions energy: -115.750
where: short stacking energy: -88.385
Base-Backbone interact. energy: -2.089
local terms energy: -283.291353
where:
bonds (distance) C4'-P energy: -74.667
bonds (distance) P-C4' energy: -84.442
flat angles C4'-P-C4' energy: -79.131
flat angles P-C4'-P energy: -45.861
tors. eta vs tors. theta energy: 0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -383.457367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.457367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.457367 (E_RNA)
where:
Base-Base interactions energy: -127.680
where: short stacking energy: -108.842
Base-Backbone interact. energy: 1.083
local terms energy: -256.860175
where:
bonds (distance) C4'-P energy: -76.539
bonds (distance) P-C4' energy: -83.336
flat angles C4'-P-C4' energy: -58.015
flat angles P-C4'-P energy: -40.726
tors. eta vs tors. theta energy: 1.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -352.765163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.765163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.765163 (E_RNA)
where:
Base-Base interactions energy: -100.651
where: short stacking energy: -86.780
Base-Backbone interact. energy: 0.279
local terms energy: -252.393327
where:
bonds (distance) C4'-P energy: -82.692
bonds (distance) P-C4' energy: -86.555
flat angles C4'-P-C4' energy: -67.137
flat angles P-C4'-P energy: -38.112
tors. eta vs tors. theta energy: 22.102
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1261.510007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.510007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.510007 (E_RNA)
where:
Base-Base interactions energy: -765.056
where: short stacking energy: -427.633
Base-Backbone interact. energy: 0.229
local terms energy: -496.683574
where:
bonds (distance) C4'-P energy: -99.344
bonds (distance) P-C4' energy: -97.132
flat angles C4'-P-C4' energy: -100.711
flat angles P-C4'-P energy: -66.089
tors. eta vs tors. theta energy: -133.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1092.822580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.822580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.822580 (E_RNA)
where:
Base-Base interactions energy: -625.664
where: short stacking energy: -388.681
Base-Backbone interact. energy: -0.628
local terms energy: -466.530467
where:
bonds (distance) C4'-P energy: -81.866
bonds (distance) P-C4' energy: -91.608
flat angles C4'-P-C4' energy: -98.627
flat angles P-C4'-P energy: -72.975
tors. eta vs tors. theta energy: -121.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -935.514012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.514012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.514012 (E_RNA)
where:
Base-Base interactions energy: -514.900
where: short stacking energy: -326.209
Base-Backbone interact. energy: -1.873
local terms energy: -418.740875
where:
bonds (distance) C4'-P energy: -93.367
bonds (distance) P-C4' energy: -95.455
flat angles C4'-P-C4' energy: -92.287
flat angles P-C4'-P energy: -58.867
tors. eta vs tors. theta energy: -78.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -785.611255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.611255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.611255 (E_RNA)
where:
Base-Base interactions energy: -408.191
where: short stacking energy: -256.021
Base-Backbone interact. energy: -1.847
local terms energy: -375.572512
where:
bonds (distance) C4'-P energy: -79.092
bonds (distance) P-C4' energy: -97.348
flat angles C4'-P-C4' energy: -83.734
flat angles P-C4'-P energy: -52.672
tors. eta vs tors. theta energy: -62.728
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: 5, replica: 9
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -641.848689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.848689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.848689 (E_RNA)
where:
Base-Base interactions energy: -310.368
where: short stacking energy: -217.582
Base-Backbone interact. energy: 1.408
local terms energy: -332.888288
where:
bonds (distance) C4'-P energy: -77.775
bonds (distance) P-C4' energy: -97.030
flat angles C4'-P-C4' energy: -66.234
flat angles P-C4'-P energy: -52.990
tors. eta vs tors. theta energy: -38.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -533.658631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.658631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.658631 (E_RNA)
where:
Base-Base interactions energy: -206.661
where: short stacking energy: -166.081
Base-Backbone interact. energy: -0.785
local terms energy: -326.212001
where:
bonds (distance) C4'-P energy: -78.635
bonds (distance) P-C4' energy: -83.047
flat angles C4'-P-C4' energy: -86.082
flat angles P-C4'-P energy: -44.464
tors. eta vs tors. theta energy: -33.984
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: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -497.550960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.550960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.550960 (E_RNA)
where:
Base-Base interactions energy: -185.771
where: short stacking energy: -147.406
Base-Backbone interact. energy: 2.343
local terms energy: -314.122353
where:
bonds (distance) C4'-P energy: -83.276
bonds (distance) P-C4' energy: -90.412
flat angles C4'-P-C4' energy: -60.615
flat angles P-C4'-P energy: -57.193
tors. eta vs tors. theta energy: -22.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -475.795899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.795899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.795899 (E_RNA)
where:
Base-Base interactions energy: -205.719
where: short stacking energy: -153.519
Base-Backbone interact. energy: -0.747
local terms energy: -269.330631
where:
bonds (distance) C4'-P energy: -70.971
bonds (distance) P-C4' energy: -79.037
flat angles C4'-P-C4' energy: -76.544
flat angles P-C4'-P energy: -44.943
tors. eta vs tors. theta energy: 2.164
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: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -369.491323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.491323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.491323 (E_RNA)
where:
Base-Base interactions energy: -113.853
where: short stacking energy: -102.906
Base-Backbone interact. energy: -0.951
local terms energy: -254.687253
where:
bonds (distance) C4'-P energy: -62.232
bonds (distance) P-C4' energy: -86.035
flat angles C4'-P-C4' energy: -63.003
flat angles P-C4'-P energy: -48.217
tors. eta vs tors. theta energy: 4.799
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: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -346.633375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.633375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.633375 (E_RNA)
where:
Base-Base interactions energy: -110.512
where: short stacking energy: -97.318
Base-Backbone interact. energy: 3.010
local terms energy: -239.131052
where:
bonds (distance) C4'-P energy: -84.723
bonds (distance) P-C4' energy: -84.124
flat angles C4'-P-C4' energy: -43.404
flat angles P-C4'-P energy: -38.863
tors. eta vs tors. theta energy: 11.983
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1236.873873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.873873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.873873 (E_RNA)
where:
Base-Base interactions energy: -745.603
where: short stacking energy: -432.402
Base-Backbone interact. energy: -1.232
local terms energy: -490.038295
where:
bonds (distance) C4'-P energy: -88.690
bonds (distance) P-C4' energy: -95.254
flat angles C4'-P-C4' energy: -104.514
flat angles P-C4'-P energy: -68.964
tors. eta vs tors. theta energy: -132.618
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: 8
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1076.251052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.251052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.251052 (E_RNA)
where:
Base-Base interactions energy: -618.021
where: short stacking energy: -397.761
Base-Backbone interact. energy: 0.199
local terms energy: -458.429622
where:
bonds (distance) C4'-P energy: -94.608
bonds (distance) P-C4' energy: -92.564
flat angles C4'-P-C4' energy: -90.080
flat angles P-C4'-P energy: -58.988
tors. eta vs tors. theta energy: -122.189
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: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -897.239278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.239278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.239278 (E_RNA)
where:
Base-Base interactions energy: -484.886
where: short stacking energy: -301.247
Base-Backbone interact. energy: -1.288
local terms energy: -411.064697
where:
bonds (distance) C4'-P energy: -89.313
bonds (distance) P-C4' energy: -91.823
flat angles C4'-P-C4' energy: -87.206
flat angles P-C4'-P energy: -59.686
tors. eta vs tors. theta energy: -83.036
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: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -815.063228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.063228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.063228 (E_RNA)
where:
Base-Base interactions energy: -446.431
where: short stacking energy: -301.116
Base-Backbone interact. energy: 0.883
local terms energy: -369.515186
where:
bonds (distance) C4'-P energy: -68.655
bonds (distance) P-C4' energy: -83.587
flat angles C4'-P-C4' energy: -82.462
flat angles P-C4'-P energy: -64.842
tors. eta vs tors. theta energy: -69.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -629.839334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.839334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.839334 (E_RNA)
where:
Base-Base interactions energy: -278.322
where: short stacking energy: -214.612
Base-Backbone interact. energy: -1.093
local terms energy: -350.424030
where:
bonds (distance) C4'-P energy: -80.543
bonds (distance) P-C4' energy: -79.623
flat angles C4'-P-C4' energy: -89.008
flat angles P-C4'-P energy: -53.463
tors. eta vs tors. theta energy: -47.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -569.991616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.991616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.991616 (E_RNA)
where:
Base-Base interactions energy: -285.046
where: short stacking energy: -188.727
Base-Backbone interact. energy: -1.084
local terms energy: -283.860738
where:
bonds (distance) C4'-P energy: -57.331
bonds (distance) P-C4' energy: -79.625
flat angles C4'-P-C4' energy: -76.020
flat angles P-C4'-P energy: -47.587
tors. eta vs tors. theta energy: -23.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -469.682547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.682547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.682547 (E_RNA)
where:
Base-Base interactions energy: -181.741
where: short stacking energy: -163.320
Base-Backbone interact. energy: -1.507
local terms energy: -286.434134
where:
bonds (distance) C4'-P energy: -71.038
bonds (distance) P-C4' energy: -75.876
flat angles C4'-P-C4' energy: -84.417
flat angles P-C4'-P energy: -33.066
tors. eta vs tors. theta energy: -22.037
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: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -453.575249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.575249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.575249 (E_RNA)
where:
Base-Base interactions energy: -189.780
where: short stacking energy: -135.753
Base-Backbone interact. energy: 1.887
local terms energy: -265.682734
where:
bonds (distance) C4'-P energy: -79.827
bonds (distance) P-C4' energy: -80.987
flat angles C4'-P-C4' energy: -69.973
flat angles P-C4'-P energy: -24.359
tors. eta vs tors. theta energy: -10.536
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: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -359.605842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.605842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.605842 (E_RNA)
where:
Base-Base interactions energy: -98.509
where: short stacking energy: -91.041
Base-Backbone interact. energy: -1.187
local terms energy: -259.910490
where:
bonds (distance) C4'-P energy: -69.112
bonds (distance) P-C4' energy: -93.418
flat angles C4'-P-C4' energy: -66.852
flat angles P-C4'-P energy: -36.338
tors. eta vs tors. theta energy: 5.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -371.707604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.707604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.707604 (E_RNA)
where:
Base-Base interactions energy: -117.245
where: short stacking energy: -109.788
Base-Backbone interact. energy: 0.784
local terms energy: -255.246857
where:
bonds (distance) C4'-P energy: -80.946
bonds (distance) P-C4' energy: -69.931
flat angles C4'-P-C4' energy: -73.948
flat angles P-C4'-P energy: -49.442
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1245.329421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.329421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.329421 (E_RNA)
where:
Base-Base interactions energy: -766.346
where: short stacking energy: -452.318
Base-Backbone interact. energy: -1.544
local terms energy: -477.439569
where:
bonds (distance) C4'-P energy: -77.459
bonds (distance) P-C4' energy: -102.302
flat angles C4'-P-C4' energy: -103.821
flat angles P-C4'-P energy: -68.931
tors. eta vs tors. theta energy: -124.927
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: 8
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1062.575775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.575775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.575775 (E_RNA)
where:
Base-Base interactions energy: -600.650
where: short stacking energy: -388.983
Base-Backbone interact. energy: 0.270
local terms energy: -462.195506
where:
bonds (distance) C4'-P energy: -90.665
bonds (distance) P-C4' energy: -100.098
flat angles C4'-P-C4' energy: -95.600
flat angles P-C4'-P energy: -65.688
tors. eta vs tors. theta energy: -110.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -884.963603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.963603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.963603 (E_RNA)
where:
Base-Base interactions energy: -493.266
where: short stacking energy: -314.628
Base-Backbone interact. energy: 0.198
local terms energy: -391.895146
where:
bonds (distance) C4'-P energy: -88.042
bonds (distance) P-C4' energy: -94.963
flat angles C4'-P-C4' energy: -86.765
flat angles P-C4'-P energy: -49.500
tors. eta vs tors. theta energy: -72.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -794.089827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.089827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.089827 (E_RNA)
where:
Base-Base interactions energy: -428.128
where: short stacking energy: -283.721
Base-Backbone interact. energy: -0.617
local terms energy: -365.344621
where:
bonds (distance) C4'-P energy: -82.369
bonds (distance) P-C4' energy: -72.597
flat angles C4'-P-C4' energy: -78.399
flat angles P-C4'-P energy: -68.684
tors. eta vs tors. theta energy: -63.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -716.002943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.002943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.002943 (E_RNA)
where:
Base-Base interactions energy: -349.128
where: short stacking energy: -255.731
Base-Backbone interact. energy: 1.552
local terms energy: -368.427056
where:
bonds (distance) C4'-P energy: -80.866
bonds (distance) P-C4' energy: -78.542
flat angles C4'-P-C4' energy: -89.060
flat angles P-C4'-P energy: -60.996
tors. eta vs tors. theta energy: -58.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -617.363582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.363582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.363582 (E_RNA)
where:
Base-Base interactions energy: -275.474
where: short stacking energy: -195.340
Base-Backbone interact. energy: 6.288
local terms energy: -348.177912
where:
bonds (distance) C4'-P energy: -76.078
bonds (distance) P-C4' energy: -93.532
flat angles C4'-P-C4' energy: -89.735
flat angles P-C4'-P energy: -47.303
tors. eta vs tors. theta energy: -41.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -434.029811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.029811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.029811 (E_RNA)
where:
Base-Base interactions energy: -150.841
where: short stacking energy: -134.345
Base-Backbone interact. energy: -1.500
local terms energy: -281.688896
where:
bonds (distance) C4'-P energy: -81.175
bonds (distance) P-C4' energy: -84.433
flat angles C4'-P-C4' energy: -79.376
flat angles P-C4'-P energy: -30.956
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -421.732807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.732807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.732807 (E_RNA)
where:
Base-Base interactions energy: -143.412
where: short stacking energy: -124.214
Base-Backbone interact. energy: 1.897
local terms energy: -280.217646
where:
bonds (distance) C4'-P energy: -91.335
bonds (distance) P-C4' energy: -72.807
flat angles C4'-P-C4' energy: -68.591
flat angles P-C4'-P energy: -47.343
tors. eta vs tors. theta energy: -0.142
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: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -375.042830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.042830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.042830 (E_RNA)
where:
Base-Base interactions energy: -114.206
where: short stacking energy: -106.782
Base-Backbone interact. energy: -2.138
local terms energy: -258.697995
where:
bonds (distance) C4'-P energy: -77.917
bonds (distance) P-C4' energy: -80.714
flat angles C4'-P-C4' energy: -59.872
flat angles P-C4'-P energy: -45.595
tors. eta vs tors. theta energy: 5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -348.936708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.936708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.936708 (E_RNA)
where:
Base-Base interactions energy: -93.290
where: short stacking energy: -93.386
Base-Backbone interact. energy: 0.795
local terms energy: -256.441142
where:
bonds (distance) C4'-P energy: -76.668
bonds (distance) P-C4' energy: -70.532
flat angles C4'-P-C4' energy: -85.947
flat angles P-C4'-P energy: -26.769
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1245.044965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.044965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.044965 (E_RNA)
where:
Base-Base interactions energy: -755.459
where: short stacking energy: -438.626
Base-Backbone interact. energy: -1.703
local terms energy: -487.883060
where:
bonds (distance) C4'-P energy: -91.923
bonds (distance) P-C4' energy: -92.382
flat angles C4'-P-C4' energy: -107.518
flat angles P-C4'-P energy: -65.287
tors. eta vs tors. theta energy: -130.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1042.053533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.053533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.053533 (E_RNA)
where:
Base-Base interactions energy: -582.798
where: short stacking energy: -387.149
Base-Backbone interact. energy: -0.519
local terms energy: -458.735936
where:
bonds (distance) C4'-P energy: -80.383
bonds (distance) P-C4' energy: -100.937
flat angles C4'-P-C4' energy: -105.322
flat angles P-C4'-P energy: -56.732
tors. eta vs tors. theta energy: -115.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -935.821252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.821252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.821252 (E_RNA)
where:
Base-Base interactions energy: -495.688
where: short stacking energy: -327.106
Base-Backbone interact. energy: -2.455
local terms energy: -437.678675
where:
bonds (distance) C4'-P energy: -100.240
bonds (distance) P-C4' energy: -87.663
flat angles C4'-P-C4' energy: -95.616
flat angles P-C4'-P energy: -62.758
tors. eta vs tors. theta energy: -91.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -839.252309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.252309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.252309 (E_RNA)
where:
Base-Base interactions energy: -471.405
where: short stacking energy: -271.889
Base-Backbone interact. energy: -0.218
local terms energy: -367.629175
where:
bonds (distance) C4'-P energy: -69.511
bonds (distance) P-C4' energy: -90.492
flat angles C4'-P-C4' energy: -78.130
flat angles P-C4'-P energy: -55.893
tors. eta vs tors. theta energy: -73.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -759.218256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.218256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.218256 (E_RNA)
where:
Base-Base interactions energy: -374.577
where: short stacking energy: -275.589
Base-Backbone interact. energy: -1.490
local terms energy: -383.150746
where:
bonds (distance) C4'-P energy: -79.477
bonds (distance) P-C4' energy: -87.832
flat angles C4'-P-C4' energy: -84.317
flat angles P-C4'-P energy: -62.219
tors. eta vs tors. theta energy: -69.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -580.868616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.868616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.868616 (E_RNA)
where:
Base-Base interactions energy: -254.952
where: short stacking energy: -179.799
Base-Backbone interact. energy: 3.182
local terms energy: -329.098921
where:
bonds (distance) C4'-P energy: -78.431
bonds (distance) P-C4' energy: -77.824
flat angles C4'-P-C4' energy: -88.929
flat angles P-C4'-P energy: -53.633
tors. eta vs tors. theta energy: -30.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -454.304932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.304932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.304932 (E_RNA)
where:
Base-Base interactions energy: -176.627
where: short stacking energy: -143.429
Base-Backbone interact. energy: -1.060
local terms energy: -276.617870
where:
bonds (distance) C4'-P energy: -83.899
bonds (distance) P-C4' energy: -78.744
flat angles C4'-P-C4' energy: -70.095
flat angles P-C4'-P energy: -41.064
tors. eta vs tors. theta energy: -2.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -400.249073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.249073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.249073 (E_RNA)
where:
Base-Base interactions energy: -143.819
where: short stacking energy: -121.266
Base-Backbone interact. energy: 0.713
local terms energy: -257.142671
where:
bonds (distance) C4'-P energy: -73.257
bonds (distance) P-C4' energy: -81.058
flat angles C4'-P-C4' energy: -74.699
flat angles P-C4'-P energy: -31.479
tors. eta vs tors. theta energy: 3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -399.023458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.023458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.023458 (E_RNA)
where:
Base-Base interactions energy: -153.917
where: short stacking energy: -110.442
Base-Backbone interact. energy: -1.501
local terms energy: -243.605199
where:
bonds (distance) C4'-P energy: -81.510
bonds (distance) P-C4' energy: -77.634
flat angles C4'-P-C4' energy: -72.875
flat angles P-C4'-P energy: -21.380
tors. eta vs tors. theta energy: 9.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -338.966308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.966308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.966308 (E_RNA)
where:
Base-Base interactions energy: -110.041
where: short stacking energy: -90.296
Base-Backbone interact. energy: 7.412
local terms energy: -236.337724
where:
bonds (distance) C4'-P energy: -68.189
bonds (distance) P-C4' energy: -66.730
flat angles C4'-P-C4' energy: -65.260
flat angles P-C4'-P energy: -48.687
tors. eta vs tors. theta energy: 12.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1248.073770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.073770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.073770 (E_RNA)
where:
Base-Base interactions energy: -759.876
where: short stacking energy: -446.293
Base-Backbone interact. energy: -1.819
local terms energy: -486.378392
where:
bonds (distance) C4'-P energy: -87.939
bonds (distance) P-C4' energy: -94.321
flat angles C4'-P-C4' energy: -106.647
flat angles P-C4'-P energy: -64.176
tors. eta vs tors. theta energy: -133.295
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: 2, replica: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1026.053830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.053830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.053830 (E_RNA)
where:
Base-Base interactions energy: -586.493
where: short stacking energy: -345.472
Base-Backbone interact. energy: -0.383
local terms energy: -439.177921
where:
bonds (distance) C4'-P energy: -96.763
bonds (distance) P-C4' energy: -87.046
flat angles C4'-P-C4' energy: -100.852
flat angles P-C4'-P energy: -60.566
tors. eta vs tors. theta energy: -93.951
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: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -980.565749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.565749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.565749 (E_RNA)
where:
Base-Base interactions energy: -528.625
where: short stacking energy: -346.065
Base-Backbone interact. energy: -0.249
local terms energy: -451.691859
where:
bonds (distance) C4'-P energy: -90.484
bonds (distance) P-C4' energy: -100.582
flat angles C4'-P-C4' energy: -96.107
flat angles P-C4'-P energy: -61.824
tors. eta vs tors. theta energy: -102.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -859.954691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.954691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.954691 (E_RNA)
where:
Base-Base interactions energy: -456.458
where: short stacking energy: -290.994
Base-Backbone interact. energy: -1.633
local terms energy: -401.863493
where:
bonds (distance) C4'-P energy: -87.929
bonds (distance) P-C4' energy: -88.373
flat angles C4'-P-C4' energy: -100.319
flat angles P-C4'-P energy: -50.411
tors. eta vs tors. theta energy: -74.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -746.301415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.301415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.301415 (E_RNA)
where:
Base-Base interactions energy: -373.879
where: short stacking energy: -259.132
Base-Backbone interact. energy: 0.111
local terms energy: -372.533406
where:
bonds (distance) C4'-P energy: -85.513
bonds (distance) P-C4' energy: -68.951
flat angles C4'-P-C4' energy: -87.016
flat angles P-C4'-P energy: -55.592
tors. eta vs tors. theta energy: -75.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -601.738099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.738099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.738099 (E_RNA)
where:
Base-Base interactions energy: -278.216
where: short stacking energy: -198.991
Base-Backbone interact. energy: -1.685
local terms energy: -321.837480
where:
bonds (distance) C4'-P energy: -76.711
bonds (distance) P-C4' energy: -98.259
flat angles C4'-P-C4' energy: -76.555
flat angles P-C4'-P energy: -42.172
tors. eta vs tors. theta energy: -28.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -453.596301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.596301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.596301 (E_RNA)
where:
Base-Base interactions energy: -161.896
where: short stacking energy: -151.632
Base-Backbone interact. energy: -0.997
local terms energy: -290.702993
where:
bonds (distance) C4'-P energy: -82.888
bonds (distance) P-C4' energy: -81.228
flat angles C4'-P-C4' energy: -60.454
flat angles P-C4'-P energy: -54.641
tors. eta vs tors. theta energy: -11.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -417.818293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.818293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.818293 (E_RNA)
where:
Base-Base interactions energy: -175.108
where: short stacking energy: -143.413
Base-Backbone interact. energy: 3.914
local terms energy: -246.624468
where:
bonds (distance) C4'-P energy: -74.558
bonds (distance) P-C4' energy: -72.298
flat angles C4'-P-C4' energy: -60.103
flat angles P-C4'-P energy: -28.488
tors. eta vs tors. theta energy: -11.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -366.817122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.817122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.817122 (E_RNA)
where:
Base-Base interactions energy: -98.987
where: short stacking energy: -88.201
Base-Backbone interact. energy: 1.261
local terms energy: -269.090861
where:
bonds (distance) C4'-P energy: -69.681
bonds (distance) P-C4' energy: -80.464
flat angles C4'-P-C4' energy: -82.840
flat angles P-C4'-P energy: -51.813
tors. eta vs tors. theta energy: 15.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -360.695648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.695648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.695648 (E_RNA)
where:
Base-Base interactions energy: -125.410
where: short stacking energy: -110.478
Base-Backbone interact. energy: 1.476
local terms energy: -236.761829
where:
bonds (distance) C4'-P energy: -84.339
bonds (distance) P-C4' energy: -71.402
flat angles C4'-P-C4' energy: -65.598
flat angles P-C4'-P energy: -37.735
tors. eta vs tors. theta energy: 22.313
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1244.812541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.812541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.812541 (E_RNA)
where:
Base-Base interactions energy: -741.576
where: short stacking energy: -435.247
Base-Backbone interact. energy: 1.450
local terms energy: -504.686730
where:
bonds (distance) C4'-P energy: -95.424
bonds (distance) P-C4' energy: -97.635
flat angles C4'-P-C4' energy: -114.074
flat angles P-C4'-P energy: -63.895
tors. eta vs tors. theta energy: -133.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1084.174656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.174656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.174656 (E_RNA)
where:
Base-Base interactions energy: -597.821
where: short stacking energy: -371.362
Base-Backbone interact. energy: 1.050
local terms energy: -487.403701
where:
bonds (distance) C4'-P energy: -94.896
bonds (distance) P-C4' energy: -99.578
flat angles C4'-P-C4' energy: -105.087
flat angles P-C4'-P energy: -73.997
tors. eta vs tors. theta energy: -113.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -923.085442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.085442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.085442 (E_RNA)
where:
Base-Base interactions energy: -504.637
where: short stacking energy: -336.611
Base-Backbone interact. energy: 0.880
local terms energy: -419.328197
where:
bonds (distance) C4'-P energy: -67.902
bonds (distance) P-C4' energy: -99.123
flat angles C4'-P-C4' energy: -86.952
flat angles P-C4'-P energy: -71.456
tors. eta vs tors. theta energy: -93.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -855.424750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.424750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.424750 (E_RNA)
where:
Base-Base interactions energy: -462.269
where: short stacking energy: -289.390
Base-Backbone interact. energy: -1.482
local terms energy: -391.674022
where:
bonds (distance) C4'-P energy: -85.856
bonds (distance) P-C4' energy: -102.620
flat angles C4'-P-C4' energy: -85.320
flat angles P-C4'-P energy: -60.276
tors. eta vs tors. theta energy: -57.602
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: 9
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -707.846528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.846528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.846528 (E_RNA)
where:
Base-Base interactions energy: -344.103
where: short stacking energy: -229.283
Base-Backbone interact. energy: 0.231
local terms energy: -363.974674
where:
bonds (distance) C4'-P energy: -93.887
bonds (distance) P-C4' energy: -88.715
flat angles C4'-P-C4' energy: -82.823
flat angles P-C4'-P energy: -55.108
tors. eta vs tors. theta energy: -43.442
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: 211
Temperature: 1.150000
Total energy: -628.461320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.461320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.461320 (E_RNA)
where:
Base-Base interactions energy: -304.517
where: short stacking energy: -195.891
Base-Backbone interact. energy: 3.201
local terms energy: -327.145217
where:
bonds (distance) C4'-P energy: -80.727
bonds (distance) P-C4' energy: -90.735
flat angles C4'-P-C4' energy: -82.237
flat angles P-C4'-P energy: -47.322
tors. eta vs tors. theta energy: -26.124
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: 211
Temperature: 1.200000
Total energy: -453.921169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.921169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.921169 (E_RNA)
where:
Base-Base interactions energy: -144.595
where: short stacking energy: -132.550
Base-Backbone interact. energy: 5.844
local terms energy: -315.170795
where:
bonds (distance) C4'-P energy: -75.039
bonds (distance) P-C4' energy: -93.422
flat angles C4'-P-C4' energy: -82.643
flat angles P-C4'-P energy: -56.759
tors. eta vs tors. theta energy: -7.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -421.421131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.421131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.421131 (E_RNA)
where:
Base-Base interactions energy: -150.763
where: short stacking energy: -135.328
Base-Backbone interact. energy: -2.651
local terms energy: -268.006954
where:
bonds (distance) C4'-P energy: -83.354
bonds (distance) P-C4' energy: -73.981
flat angles C4'-P-C4' energy: -58.383
flat angles P-C4'-P energy: -39.792
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -369.213988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.213988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.213988 (E_RNA)
where:
Base-Base interactions energy: -116.394
where: short stacking energy: -114.442
Base-Backbone interact. energy: 3.343
local terms energy: -256.162694
where:
bonds (distance) C4'-P energy: -63.849
bonds (distance) P-C4' energy: -73.827
flat angles C4'-P-C4' energy: -70.179
flat angles P-C4'-P energy: -42.188
tors. eta vs tors. theta energy: -6.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -360.890139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.890139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.890139 (E_RNA)
where:
Base-Base interactions energy: -103.534
where: short stacking energy: -85.190
Base-Backbone interact. energy: -0.216
local terms energy: -257.139842
where:
bonds (distance) C4'-P energy: -64.908
bonds (distance) P-C4' energy: -90.653
flat angles C4'-P-C4' energy: -77.920
flat angles P-C4'-P energy: -37.986
tors. eta vs tors. theta energy: 14.326
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1229.969867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.969867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.969867 (E_RNA)
where:
Base-Base interactions energy: -742.603
where: short stacking energy: -449.872
Base-Backbone interact. energy: -1.181
local terms energy: -486.185597
where:
bonds (distance) C4'-P energy: -94.871
bonds (distance) P-C4' energy: -100.039
flat angles C4'-P-C4' energy: -95.814
flat angles P-C4'-P energy: -66.873
tors. eta vs tors. theta energy: -128.590
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: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1037.940033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.940033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.940033 (E_RNA)
where:
Base-Base interactions energy: -588.538
where: short stacking energy: -349.949
Base-Backbone interact. energy: 0.154
local terms energy: -449.556193
where:
bonds (distance) C4'-P energy: -86.968
bonds (distance) P-C4' energy: -97.683
flat angles C4'-P-C4' energy: -97.244
flat angles P-C4'-P energy: -61.682
tors. eta vs tors. theta energy: -105.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -974.978892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.978892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.978892 (E_RNA)
where:
Base-Base interactions energy: -544.752
where: short stacking energy: -354.567
Base-Backbone interact. energy: -0.210
local terms energy: -430.016766
where:
bonds (distance) C4'-P energy: -88.958
bonds (distance) P-C4' energy: -90.125
flat angles C4'-P-C4' energy: -92.134
flat angles P-C4'-P energy: -60.857
tors. eta vs tors. theta energy: -97.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -867.716823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.716823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.716823 (E_RNA)
where:
Base-Base interactions energy: -487.837
where: short stacking energy: -293.029
Base-Backbone interact. energy: -0.991
local terms energy: -378.889427
where:
bonds (distance) C4'-P energy: -87.253
bonds (distance) P-C4' energy: -88.725
flat angles C4'-P-C4' energy: -86.026
flat angles P-C4'-P energy: -45.620
tors. eta vs tors. theta energy: -71.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -657.756489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.756489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.756489 (E_RNA)
where:
Base-Base interactions energy: -310.665
where: short stacking energy: -189.724
Base-Backbone interact. energy: -0.578
local terms energy: -346.513642
where:
bonds (distance) C4'-P energy: -81.372
bonds (distance) P-C4' energy: -99.885
flat angles C4'-P-C4' energy: -82.977
flat angles P-C4'-P energy: -47.793
tors. eta vs tors. theta energy: -34.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -602.307923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.307923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.307923 (E_RNA)
where:
Base-Base interactions energy: -278.682
where: short stacking energy: -185.200
Base-Backbone interact. energy: -0.770
local terms energy: -322.856449
where:
bonds (distance) C4'-P energy: -84.740
bonds (distance) P-C4' energy: -91.050
flat angles C4'-P-C4' energy: -68.772
flat angles P-C4'-P energy: -57.657
tors. eta vs tors. theta energy: -20.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -458.736392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.736392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.736392 (E_RNA)
where:
Base-Base interactions energy: -146.711
where: short stacking energy: -142.860
Base-Backbone interact. energy: -0.714
local terms energy: -311.311876
where:
bonds (distance) C4'-P energy: -83.358
bonds (distance) P-C4' energy: -97.421
flat angles C4'-P-C4' energy: -67.640
flat angles P-C4'-P energy: -51.385
tors. eta vs tors. theta energy: -11.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -433.390125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.390125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.390125 (E_RNA)
where:
Base-Base interactions energy: -145.765
where: short stacking energy: -129.598
Base-Backbone interact. energy: -1.233
local terms energy: -286.391418
where:
bonds (distance) C4'-P energy: -67.520
bonds (distance) P-C4' energy: -92.226
flat angles C4'-P-C4' energy: -78.932
flat angles P-C4'-P energy: -45.863
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: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -361.797493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.797493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.797493 (E_RNA)
where:
Base-Base interactions energy: -109.041
where: short stacking energy: -104.478
Base-Backbone interact. energy: 1.362
local terms energy: -254.118460
where:
bonds (distance) C4'-P energy: -78.142
bonds (distance) P-C4' energy: -92.291
flat angles C4'-P-C4' energy: -62.450
flat angles P-C4'-P energy: -39.496
tors. eta vs tors. theta energy: 18.260
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: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -365.937336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.937336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.937336 (E_RNA)
where:
Base-Base interactions energy: -107.063
where: short stacking energy: -99.763
Base-Backbone interact. energy: 0.071
local terms energy: -258.945388
where:
bonds (distance) C4'-P energy: -82.538
bonds (distance) P-C4' energy: -81.754
flat angles C4'-P-C4' energy: -57.929
flat angles P-C4'-P energy: -44.629
tors. eta vs tors. theta energy: 7.904
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1218.955986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.955986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.955986 (E_RNA)
where:
Base-Base interactions energy: -738.990
where: short stacking energy: -423.134
Base-Backbone interact. energy: -2.206
local terms energy: -477.760009
where:
bonds (distance) C4'-P energy: -85.138
bonds (distance) P-C4' energy: -90.867
flat angles C4'-P-C4' energy: -109.029
flat angles P-C4'-P energy: -75.189
tors. eta vs tors. theta energy: -117.537
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: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1044.702062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.702062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.702062 (E_RNA)
where:
Base-Base interactions energy: -594.712
where: short stacking energy: -370.682
Base-Backbone interact. energy: -1.123
local terms energy: -448.866831
where:
bonds (distance) C4'-P energy: -93.078
bonds (distance) P-C4' energy: -98.773
flat angles C4'-P-C4' energy: -94.330
flat angles P-C4'-P energy: -62.115
tors. eta vs tors. theta energy: -100.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1010.511971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.511971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.511971 (E_RNA)
where:
Base-Base interactions energy: -589.730
where: short stacking energy: -346.280
Base-Backbone interact. energy: -0.737
local terms energy: -420.044892
where:
bonds (distance) C4'-P energy: -81.799
bonds (distance) P-C4' energy: -75.329
flat angles C4'-P-C4' energy: -91.345
flat angles P-C4'-P energy: -64.087
tors. eta vs tors. theta energy: -107.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -826.272554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.272554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.272554 (E_RNA)
where:
Base-Base interactions energy: -457.025
where: short stacking energy: -277.617
Base-Backbone interact. energy: -0.659
local terms energy: -368.588784
where:
bonds (distance) C4'-P energy: -77.596
bonds (distance) P-C4' energy: -85.315
flat angles C4'-P-C4' energy: -76.911
flat angles P-C4'-P energy: -69.184
tors. eta vs tors. theta energy: -59.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -702.146492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.146492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.146492 (E_RNA)
where:
Base-Base interactions energy: -349.639
where: short stacking energy: -198.803
Base-Backbone interact. energy: -0.732
local terms energy: -351.775361
where:
bonds (distance) C4'-P energy: -79.714
bonds (distance) P-C4' energy: -93.392
flat angles C4'-P-C4' energy: -80.141
flat angles P-C4'-P energy: -59.663
tors. eta vs tors. theta energy: -38.865
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: 6, replica: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -584.909002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.909002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.909002 (E_RNA)
where:
Base-Base interactions energy: -271.048
where: short stacking energy: -186.331
Base-Backbone interact. energy: -1.591
local terms energy: -312.269729
where:
bonds (distance) C4'-P energy: -73.464
bonds (distance) P-C4' energy: -91.416
flat angles C4'-P-C4' energy: -79.832
flat angles P-C4'-P energy: -40.070
tors. eta vs tors. theta energy: -27.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -444.085253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.085253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.085253 (E_RNA)
where:
Base-Base interactions energy: -161.406
where: short stacking energy: -127.450
Base-Backbone interact. energy: 1.216
local terms energy: -283.895425
where:
bonds (distance) C4'-P energy: -72.500
bonds (distance) P-C4' energy: -85.512
flat angles C4'-P-C4' energy: -68.738
flat angles P-C4'-P energy: -51.539
tors. eta vs tors. theta energy: -5.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -418.443279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.443279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.443279 (E_RNA)
where:
Base-Base interactions energy: -134.291
where: short stacking energy: -127.813
Base-Backbone interact. energy: -1.434
local terms energy: -282.718009
where:
bonds (distance) C4'-P energy: -80.503
bonds (distance) P-C4' energy: -86.750
flat angles C4'-P-C4' energy: -78.588
flat angles P-C4'-P energy: -33.219
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: 9, replica: 7
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -388.888731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.888731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.888731 (E_RNA)
where:
Base-Base interactions energy: -118.311
where: short stacking energy: -99.847
Base-Backbone interact. energy: 0.675
local terms energy: -271.252461
where:
bonds (distance) C4'-P energy: -66.372
bonds (distance) P-C4' energy: -98.684
flat angles C4'-P-C4' energy: -65.532
flat angles P-C4'-P energy: -53.002
tors. eta vs tors. theta energy: 12.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -364.552769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.552769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.552769 (E_RNA)
where:
Base-Base interactions energy: -119.410
where: short stacking energy: -109.496
Base-Backbone interact. energy: -1.041
local terms energy: -244.102009
where:
bonds (distance) C4'-P energy: -67.528
bonds (distance) P-C4' energy: -72.660
flat angles C4'-P-C4' energy: -69.870
flat angles P-C4'-P energy: -44.060
tors. eta vs tors. theta energy: 10.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1262.893852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.893852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.893852 (E_RNA)
where:
Base-Base interactions energy: -762.027
where: short stacking energy: -451.208
Base-Backbone interact. energy: -0.931
local terms energy: -499.935171
where:
bonds (distance) C4'-P energy: -98.127
bonds (distance) P-C4' energy: -102.193
flat angles C4'-P-C4' energy: -91.233
flat angles P-C4'-P energy: -69.262
tors. eta vs tors. theta energy: -139.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1058.006526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.006526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.006526 (E_RNA)
where:
Base-Base interactions energy: -624.532
where: short stacking energy: -375.390
Base-Backbone interact. energy: -1.271
local terms energy: -432.203955
where:
bonds (distance) C4'-P energy: -83.714
bonds (distance) P-C4' energy: -101.456
flat angles C4'-P-C4' energy: -92.195
flat angles P-C4'-P energy: -61.629
tors. eta vs tors. theta energy: -93.209
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: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -935.157753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.157753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.157753 (E_RNA)
where:
Base-Base interactions energy: -517.194
where: short stacking energy: -319.492
Base-Backbone interact. energy: -2.010
local terms energy: -415.954021
where:
bonds (distance) C4'-P energy: -82.045
bonds (distance) P-C4' energy: -93.776
flat angles C4'-P-C4' energy: -89.298
flat angles P-C4'-P energy: -66.214
tors. eta vs tors. theta energy: -84.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -869.091554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.091554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.091554 (E_RNA)
where:
Base-Base interactions energy: -481.052
where: short stacking energy: -291.478
Base-Backbone interact. energy: -2.319
local terms energy: -385.720963
where:
bonds (distance) C4'-P energy: -82.882
bonds (distance) P-C4' energy: -91.219
flat angles C4'-P-C4' energy: -87.807
flat angles P-C4'-P energy: -52.299
tors. eta vs tors. theta energy: -71.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -674.682418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.682418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.682418 (E_RNA)
where:
Base-Base interactions energy: -333.389
where: short stacking energy: -222.723
Base-Backbone interact. energy: 1.853
local terms energy: -343.145768
where:
bonds (distance) C4'-P energy: -89.482
bonds (distance) P-C4' energy: -82.163
flat angles C4'-P-C4' energy: -81.086
flat angles P-C4'-P energy: -49.618
tors. eta vs tors. theta energy: -40.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -551.675766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.675766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.675766 (E_RNA)
where:
Base-Base interactions energy: -252.474
where: short stacking energy: -178.930
Base-Backbone interact. energy: -2.029
local terms energy: -297.172457
where:
bonds (distance) C4'-P energy: -73.579
bonds (distance) P-C4' energy: -89.018
flat angles C4'-P-C4' energy: -82.501
flat angles P-C4'-P energy: -41.395
tors. eta vs tors. theta energy: -10.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -455.247312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.247312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.247312 (E_RNA)
where:
Base-Base interactions energy: -144.873
where: short stacking energy: -125.710
Base-Backbone interact. energy: -3.442
local terms energy: -306.932707
where:
bonds (distance) C4'-P energy: -82.230
bonds (distance) P-C4' energy: -72.869
flat angles C4'-P-C4' energy: -88.911
flat angles P-C4'-P energy: -55.089
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: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -410.469836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.469836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.469836 (E_RNA)
where:
Base-Base interactions energy: -138.412
where: short stacking energy: -115.340
Base-Backbone interact. energy: -1.193
local terms energy: -270.864758
where:
bonds (distance) C4'-P energy: -79.952
bonds (distance) P-C4' energy: -85.794
flat angles C4'-P-C4' energy: -77.148
flat angles P-C4'-P energy: -37.065
tors. eta vs tors. theta energy: 9.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -366.037012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.037012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.037012 (E_RNA)
where:
Base-Base interactions energy: -126.884
where: short stacking energy: -113.096
Base-Backbone interact. energy: 1.485
local terms energy: -240.638280
where:
bonds (distance) C4'-P energy: -82.309
bonds (distance) P-C4' energy: -83.854
flat angles C4'-P-C4' energy: -69.008
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: 6.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -361.379876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.379876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.379876 (E_RNA)
where:
Base-Base interactions energy: -105.818
where: short stacking energy: -84.604
Base-Backbone interact. energy: 0.407
local terms energy: -255.968964
where:
bonds (distance) C4'-P energy: -89.397
bonds (distance) P-C4' energy: -66.282
flat angles C4'-P-C4' energy: -74.448
flat angles P-C4'-P energy: -30.550
tors. eta vs tors. theta energy: 4.708
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1267.708820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.708820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.708820 (E_RNA)
where:
Base-Base interactions energy: -766.648
where: short stacking energy: -473.317
Base-Backbone interact. energy: 0.392
local terms energy: -501.452939
where:
bonds (distance) C4'-P energy: -82.572
bonds (distance) P-C4' energy: -100.714
flat angles C4'-P-C4' energy: -104.425
flat angles P-C4'-P energy: -74.157
tors. eta vs tors. theta energy: -139.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1067.749306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.749306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.749306 (E_RNA)
where:
Base-Base interactions energy: -618.766
where: short stacking energy: -357.169
Base-Backbone interact. energy: -3.300
local terms energy: -445.682971
where:
bonds (distance) C4'-P energy: -94.745
bonds (distance) P-C4' energy: -84.030
flat angles C4'-P-C4' energy: -95.277
flat angles P-C4'-P energy: -71.526
tors. eta vs tors. theta energy: -100.104
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: 215
Temperature: 1.000000
Total energy: -960.269362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.269362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.269362 (E_RNA)
where:
Base-Base interactions energy: -522.395
where: short stacking energy: -344.677
Base-Backbone interact. energy: -1.144
local terms energy: -436.730855
where:
bonds (distance) C4'-P energy: -95.688
bonds (distance) P-C4' energy: -85.357
flat angles C4'-P-C4' energy: -93.089
flat angles P-C4'-P energy: -62.984
tors. eta vs tors. theta energy: -99.612
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: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -908.996592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.996592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.996592 (E_RNA)
where:
Base-Base interactions energy: -494.972
where: short stacking energy: -315.642
Base-Backbone interact. energy: -1.331
local terms energy: -412.693384
where:
bonds (distance) C4'-P energy: -82.060
bonds (distance) P-C4' energy: -92.117
flat angles C4'-P-C4' energy: -95.432
flat angles P-C4'-P energy: -60.408
tors. eta vs tors. theta energy: -82.676
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: 9
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -700.420880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.420880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.420880 (E_RNA)
where:
Base-Base interactions energy: -345.473
where: short stacking energy: -209.752
Base-Backbone interact. energy: 5.416
local terms energy: -360.364148
where:
bonds (distance) C4'-P energy: -72.600
bonds (distance) P-C4' energy: -94.188
flat angles C4'-P-C4' energy: -86.814
flat angles P-C4'-P energy: -59.164
tors. eta vs tors. theta energy: -47.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -586.502019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.502019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.502019 (E_RNA)
where:
Base-Base interactions energy: -255.564
where: short stacking energy: -209.855
Base-Backbone interact. energy: 0.576
local terms energy: -331.514007
where:
bonds (distance) C4'-P energy: -74.003
bonds (distance) P-C4' energy: -77.415
flat angles C4'-P-C4' energy: -78.624
flat angles P-C4'-P energy: -61.148
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: 7, replica: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -452.699035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.699035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.699035 (E_RNA)
where:
Base-Base interactions energy: -159.417
where: short stacking energy: -146.534
Base-Backbone interact. energy: -1.963
local terms energy: -291.318967
where:
bonds (distance) C4'-P energy: -94.933
bonds (distance) P-C4' energy: -82.259
flat angles C4'-P-C4' energy: -83.263
flat angles P-C4'-P energy: -36.010
tors. eta vs tors. theta energy: 5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -425.645245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.645245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.645245 (E_RNA)
where:
Base-Base interactions energy: -163.406
where: short stacking energy: -145.039
Base-Backbone interact. energy: 1.846
local terms energy: -264.085108
where:
bonds (distance) C4'-P energy: -80.147
bonds (distance) P-C4' energy: -72.755
flat angles C4'-P-C4' energy: -78.016
flat angles P-C4'-P energy: -32.712
tors. eta vs tors. theta energy: -0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -376.531052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.531052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.531052 (E_RNA)
where:
Base-Base interactions energy: -134.288
where: short stacking energy: -88.605
Base-Backbone interact. energy: 0.999
local terms energy: -243.242626
where:
bonds (distance) C4'-P energy: -83.146
bonds (distance) P-C4' energy: -66.695
flat angles C4'-P-C4' energy: -67.718
flat angles P-C4'-P energy: -44.278
tors. eta vs tors. theta energy: 18.594
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: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -333.522526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.522526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.522526 (E_RNA)
where:
Base-Base interactions energy: -86.314
where: short stacking energy: -76.333
Base-Backbone interact. energy: -2.012
local terms energy: -245.196218
where:
bonds (distance) C4'-P energy: -77.884
bonds (distance) P-C4' energy: -77.070
flat angles C4'-P-C4' energy: -67.008
flat angles P-C4'-P energy: -43.382
tors. eta vs tors. theta energy: 20.147
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1268.090518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.090518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.090518 (E_RNA)
where:
Base-Base interactions energy: -769.515
where: short stacking energy: -449.579
Base-Backbone interact. energy: -0.945
local terms energy: -497.629943
where:
bonds (distance) C4'-P energy: -103.506
bonds (distance) P-C4' energy: -90.786
flat angles C4'-P-C4' energy: -99.577
flat angles P-C4'-P energy: -73.801
tors. eta vs tors. theta energy: -129.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1013.089127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.089127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.089127 (E_RNA)
where:
Base-Base interactions energy: -574.001
where: short stacking energy: -345.941
Base-Backbone interact. energy: -0.400
local terms energy: -438.688136
where:
bonds (distance) C4'-P energy: -94.322
bonds (distance) P-C4' energy: -94.035
flat angles C4'-P-C4' energy: -97.320
flat angles P-C4'-P energy: -53.962
tors. eta vs tors. theta energy: -99.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -953.111436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.111436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.111436 (E_RNA)
where:
Base-Base interactions energy: -518.465
where: short stacking energy: -325.166
Base-Backbone interact. energy: -2.064
local terms energy: -432.582064
where:
bonds (distance) C4'-P energy: -88.211
bonds (distance) P-C4' energy: -101.795
flat angles C4'-P-C4' energy: -95.953
flat angles P-C4'-P energy: -65.576
tors. eta vs tors. theta energy: -81.047
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: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -831.494547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.494547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.494547 (E_RNA)
where:
Base-Base interactions energy: -462.307
where: short stacking energy: -265.929
Base-Backbone interact. energy: -1.356
local terms energy: -367.831124
where:
bonds (distance) C4'-P energy: -75.221
bonds (distance) P-C4' energy: -98.154
flat angles C4'-P-C4' energy: -83.767
flat angles P-C4'-P energy: -51.766
tors. eta vs tors. theta energy: -58.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -769.045482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.045482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.045482 (E_RNA)
where:
Base-Base interactions energy: -390.410
where: short stacking energy: -239.048
Base-Backbone interact. energy: -1.836
local terms energy: -376.799365
where:
bonds (distance) C4'-P energy: -72.759
bonds (distance) P-C4' energy: -89.857
flat angles C4'-P-C4' energy: -83.723
flat angles P-C4'-P energy: -73.787
tors. eta vs tors. theta energy: -56.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -567.918030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.918030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.918030 (E_RNA)
where:
Base-Base interactions energy: -272.230
where: short stacking energy: -176.331
Base-Backbone interact. energy: -4.035
local terms energy: -291.652710
where:
bonds (distance) C4'-P energy: -79.854
bonds (distance) P-C4' energy: -91.364
flat angles C4'-P-C4' energy: -58.553
flat angles P-C4'-P energy: -43.050
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -443.817830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.817830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.817830 (E_RNA)
where:
Base-Base interactions energy: -153.302
where: short stacking energy: -135.906
Base-Backbone interact. energy: -0.020
local terms energy: -290.496700
where:
bonds (distance) C4'-P energy: -83.109
bonds (distance) P-C4' energy: -98.803
flat angles C4'-P-C4' energy: -68.460
flat angles P-C4'-P energy: -41.370
tors. eta vs tors. theta energy: 1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -405.561752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.561752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.561752 (E_RNA)
where:
Base-Base interactions energy: -133.495
where: short stacking energy: -124.438
Base-Backbone interact. energy: -0.072
local terms energy: -271.994413
where:
bonds (distance) C4'-P energy: -77.260
bonds (distance) P-C4' energy: -77.944
flat angles C4'-P-C4' energy: -65.101
flat angles P-C4'-P energy: -51.939
tors. eta vs tors. theta energy: 0.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -367.014431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.014431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.014431 (E_RNA)
where:
Base-Base interactions energy: -103.784
where: short stacking energy: -97.353
Base-Backbone interact. energy: -2.354
local terms energy: -260.875667
where:
bonds (distance) C4'-P energy: -76.921
bonds (distance) P-C4' energy: -80.621
flat angles C4'-P-C4' energy: -71.325
flat angles P-C4'-P energy: -32.551
tors. eta vs tors. theta energy: 0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -342.648271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.648271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.648271 (E_RNA)
where:
Base-Base interactions energy: -107.375
where: short stacking energy: -95.825
Base-Backbone interact. energy: 3.362
local terms energy: -238.635368
where:
bonds (distance) C4'-P energy: -70.480
bonds (distance) P-C4' energy: -80.351
flat angles C4'-P-C4' energy: -56.541
flat angles P-C4'-P energy: -41.331
tors. eta vs tors. theta energy: 10.067
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1257.481768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.481768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.481768 (E_RNA)
where:
Base-Base interactions energy: -749.467
where: short stacking energy: -459.231
Base-Backbone interact. energy: -2.190
local terms energy: -505.824632
where:
bonds (distance) C4'-P energy: -91.800
bonds (distance) P-C4' energy: -102.334
flat angles C4'-P-C4' energy: -103.092
flat angles P-C4'-P energy: -75.325
tors. eta vs tors. theta energy: -133.274
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: 2, replica: 8
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1080.041040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.041040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.041040 (E_RNA)
where:
Base-Base interactions energy: -611.494
where: short stacking energy: -378.342
Base-Backbone interact. energy: -0.726
local terms energy: -467.821856
where:
bonds (distance) C4'-P energy: -95.316
bonds (distance) P-C4' energy: -97.398
flat angles C4'-P-C4' energy: -102.124
flat angles P-C4'-P energy: -58.847
tors. eta vs tors. theta energy: -114.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -911.189776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.189776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.189776 (E_RNA)
where:
Base-Base interactions energy: -499.447
where: short stacking energy: -313.791
Base-Backbone interact. energy: -1.490
local terms energy: -410.253253
where:
bonds (distance) C4'-P energy: -85.143
bonds (distance) P-C4' energy: -88.480
flat angles C4'-P-C4' energy: -90.109
flat angles P-C4'-P energy: -67.197
tors. eta vs tors. theta energy: -79.323
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: 217
Temperature: 1.050000
Total energy: -842.789393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.789393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.789393 (E_RNA)
where:
Base-Base interactions energy: -462.461
where: short stacking energy: -252.145
Base-Backbone interact. energy: -3.087
local terms energy: -377.241378
where:
bonds (distance) C4'-P energy: -76.557
bonds (distance) P-C4' energy: -97.558
flat angles C4'-P-C4' energy: -83.178
flat angles P-C4'-P energy: -60.864
tors. eta vs tors. theta energy: -59.084
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: 9
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -779.802955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.802955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.802955 (E_RNA)
where:
Base-Base interactions energy: -432.203
where: short stacking energy: -251.836
Base-Backbone interact. energy: -0.097
local terms energy: -347.503362
where:
bonds (distance) C4'-P energy: -93.285
bonds (distance) P-C4' energy: -78.281
flat angles C4'-P-C4' energy: -76.384
flat angles P-C4'-P energy: -38.458
tors. eta vs tors. theta energy: -61.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -557.247008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.247008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.247008 (E_RNA)
where:
Base-Base interactions energy: -234.800
where: short stacking energy: -179.703
Base-Backbone interact. energy: 0.987
local terms energy: -323.433879
where:
bonds (distance) C4'-P energy: -74.918
bonds (distance) P-C4' energy: -83.926
flat angles C4'-P-C4' energy: -87.304
flat angles P-C4'-P energy: -41.934
tors. eta vs tors. theta energy: -35.351
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: 7, replica: 5
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -443.859140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.859140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.859140 (E_RNA)
where:
Base-Base interactions energy: -152.689
where: short stacking energy: -122.696
Base-Backbone interact. energy: -0.561
local terms energy: -290.610000
where:
bonds (distance) C4'-P energy: -74.268
bonds (distance) P-C4' energy: -77.701
flat angles C4'-P-C4' energy: -81.863
flat angles P-C4'-P energy: -52.572
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -412.475563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.475563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.475563 (E_RNA)
where:
Base-Base interactions energy: -136.843
where: short stacking energy: -120.334
Base-Backbone interact. energy: -1.742
local terms energy: -273.890637
where:
bonds (distance) C4'-P energy: -91.372
bonds (distance) P-C4' energy: -73.676
flat angles C4'-P-C4' energy: -78.946
flat angles P-C4'-P energy: -44.748
tors. eta vs tors. theta energy: 14.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -392.332606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.332606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.332606 (E_RNA)
where:
Base-Base interactions energy: -139.450
where: short stacking energy: -128.915
Base-Backbone interact. energy: 0.090
local terms energy: -252.972396
where:
bonds (distance) C4'-P energy: -62.586
bonds (distance) P-C4' energy: -73.557
flat angles C4'-P-C4' energy: -69.650
flat angles P-C4'-P energy: -47.023
tors. eta vs tors. theta energy: -0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -360.275602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.275602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.275602 (E_RNA)
where:
Base-Base interactions energy: -117.250
where: short stacking energy: -106.308
Base-Backbone interact. energy: 1.273
local terms energy: -244.298534
where:
bonds (distance) C4'-P energy: -67.123
bonds (distance) P-C4' energy: -70.915
flat angles C4'-P-C4' energy: -64.584
flat angles P-C4'-P energy: -49.561
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1260.591824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.591824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.591824 (E_RNA)
where:
Base-Base interactions energy: -776.140
where: short stacking energy: -480.158
Base-Backbone interact. energy: 0.137
local terms energy: -484.588739
where:
bonds (distance) C4'-P energy: -84.327
bonds (distance) P-C4' energy: -86.891
flat angles C4'-P-C4' energy: -106.720
flat angles P-C4'-P energy: -67.570
tors. eta vs tors. theta energy: -139.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1035.481469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.481469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.481469 (E_RNA)
where:
Base-Base interactions energy: -597.291
where: short stacking energy: -361.249
Base-Backbone interact. energy: -0.618
local terms energy: -437.572122
where:
bonds (distance) C4'-P energy: -94.997
bonds (distance) P-C4' energy: -91.764
flat angles C4'-P-C4' energy: -104.338
flat angles P-C4'-P energy: -53.524
tors. eta vs tors. theta energy: -92.949
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: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -914.140721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.140721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.140721 (E_RNA)
where:
Base-Base interactions energy: -504.437
where: short stacking energy: -314.766
Base-Backbone interact. energy: -0.215
local terms energy: -409.488141
where:
bonds (distance) C4'-P energy: -83.671
bonds (distance) P-C4' energy: -84.551
flat angles C4'-P-C4' energy: -98.148
flat angles P-C4'-P energy: -67.640
tors. eta vs tors. theta energy: -75.478
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: 218
Temperature: 1.050000
Total energy: -858.852951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.852951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.852951 (E_RNA)
where:
Base-Base interactions energy: -469.131
where: short stacking energy: -276.620
Base-Backbone interact. energy: -0.918
local terms energy: -388.803311
where:
bonds (distance) C4'-P energy: -80.025
bonds (distance) P-C4' energy: -93.621
flat angles C4'-P-C4' energy: -77.618
flat angles P-C4'-P energy: -68.169
tors. eta vs tors. theta energy: -69.370
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: 9
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -776.345767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.345767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.345767 (E_RNA)
where:
Base-Base interactions energy: -414.272
where: short stacking energy: -244.515
Base-Backbone interact. energy: -1.291
local terms energy: -360.783391
where:
bonds (distance) C4'-P energy: -83.788
bonds (distance) P-C4' energy: -92.067
flat angles C4'-P-C4' energy: -84.584
flat angles P-C4'-P energy: -56.211
tors. eta vs tors. theta energy: -44.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -532.176017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.176017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.176017 (E_RNA)
where:
Base-Base interactions energy: -233.597
where: short stacking energy: -172.797
Base-Backbone interact. energy: -0.855
local terms energy: -297.724353
where:
bonds (distance) C4'-P energy: -73.458
bonds (distance) P-C4' energy: -88.436
flat angles C4'-P-C4' energy: -86.913
flat angles P-C4'-P energy: -27.316
tors. eta vs tors. theta energy: -21.601
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: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -445.957714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.957714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.957714 (E_RNA)
where:
Base-Base interactions energy: -158.160
where: short stacking energy: -138.897
Base-Backbone interact. energy: -0.657
local terms energy: -287.141049
where:
bonds (distance) C4'-P energy: -79.489
bonds (distance) P-C4' energy: -82.577
flat angles C4'-P-C4' energy: -79.647
flat angles P-C4'-P energy: -43.720
tors. eta vs tors. theta energy: -1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -410.913284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.913284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.913284 (E_RNA)
where:
Base-Base interactions energy: -140.134
where: short stacking energy: -123.738
Base-Backbone interact. energy: -0.921
local terms energy: -269.857873
where:
bonds (distance) C4'-P energy: -75.104
bonds (distance) P-C4' energy: -84.008
flat angles C4'-P-C4' energy: -77.060
flat angles P-C4'-P energy: -32.844
tors. eta vs tors. theta energy: -0.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -389.334531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.334531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.334531 (E_RNA)
where:
Base-Base interactions energy: -125.645
where: short stacking energy: -100.501
Base-Backbone interact. energy: 0.764
local terms energy: -264.454134
where:
bonds (distance) C4'-P energy: -76.262
bonds (distance) P-C4' energy: -85.052
flat angles C4'-P-C4' energy: -63.871
flat angles P-C4'-P energy: -40.273
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: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -361.168325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.168325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.168325 (E_RNA)
where:
Base-Base interactions energy: -115.279
where: short stacking energy: -99.591
Base-Backbone interact. energy: 6.017
local terms energy: -251.906270
where:
bonds (distance) C4'-P energy: -76.500
bonds (distance) P-C4' energy: -87.034
flat angles C4'-P-C4' energy: -75.188
flat angles P-C4'-P energy: -26.533
tors. eta vs tors. theta energy: 13.349
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1275.170774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.170774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.170774 (E_RNA)
where:
Base-Base interactions energy: -802.197
where: short stacking energy: -468.278
Base-Backbone interact. energy: -0.626
local terms energy: -472.347096
where:
bonds (distance) C4'-P energy: -93.186
bonds (distance) P-C4' energy: -80.959
flat angles C4'-P-C4' energy: -93.725
flat angles P-C4'-P energy: -68.222
tors. eta vs tors. theta energy: -136.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1078.433795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.433795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.433795 (E_RNA)
where:
Base-Base interactions energy: -628.573
where: short stacking energy: -385.294
Base-Backbone interact. energy: -1.240
local terms energy: -448.621169
where:
bonds (distance) C4'-P energy: -77.962
bonds (distance) P-C4' energy: -98.674
flat angles C4'-P-C4' energy: -103.600
flat angles P-C4'-P energy: -59.636
tors. eta vs tors. theta energy: -108.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -932.944953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.944953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.944953 (E_RNA)
where:
Base-Base interactions energy: -520.654
where: short stacking energy: -328.357
Base-Backbone interact. energy: -0.771
local terms energy: -411.519957
where:
bonds (distance) C4'-P energy: -70.118
bonds (distance) P-C4' energy: -93.413
flat angles C4'-P-C4' energy: -95.709
flat angles P-C4'-P energy: -59.054
tors. eta vs tors. theta energy: -93.226
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: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -872.491432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.491432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.491432 (E_RNA)
where:
Base-Base interactions energy: -479.549
where: short stacking energy: -286.173
Base-Backbone interact. energy: -0.736
local terms energy: -392.206522
where:
bonds (distance) C4'-P energy: -84.611
bonds (distance) P-C4' energy: -93.132
flat angles C4'-P-C4' energy: -88.071
flat angles P-C4'-P energy: -58.315
tors. eta vs tors. theta energy: -68.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -787.531472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.531472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.531472 (E_RNA)
where:
Base-Base interactions energy: -418.187
where: short stacking energy: -254.319
Base-Backbone interact. energy: -0.862
local terms energy: -368.482175
where:
bonds (distance) C4'-P energy: -93.374
bonds (distance) P-C4' energy: -82.193
flat angles C4'-P-C4' energy: -75.523
flat angles P-C4'-P energy: -55.779
tors. eta vs tors. theta energy: -61.612
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: 1
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -551.427328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.427328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.427328 (E_RNA)
where:
Base-Base interactions energy: -265.967
where: short stacking energy: -194.155
Base-Backbone interact. energy: 2.546
local terms energy: -288.005491
where:
bonds (distance) C4'-P energy: -68.038
bonds (distance) P-C4' energy: -87.902
flat angles C4'-P-C4' energy: -73.766
flat angles P-C4'-P energy: -30.801
tors. eta vs tors. theta energy: -27.498
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: 7, replica: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -485.686115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.686115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.686115 (E_RNA)
where:
Base-Base interactions energy: -169.756
where: short stacking energy: -164.431
Base-Backbone interact. energy: -1.504
local terms energy: -314.426733
where:
bonds (distance) C4'-P energy: -60.991
bonds (distance) P-C4' energy: -96.905
flat angles C4'-P-C4' energy: -74.644
flat angles P-C4'-P energy: -50.934
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: 8, replica: 7
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -416.771455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.771455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.771455 (E_RNA)
where:
Base-Base interactions energy: -128.841
where: short stacking energy: -126.634
Base-Backbone interact. energy: 3.756
local terms energy: -291.686843
where:
bonds (distance) C4'-P energy: -78.463
bonds (distance) P-C4' energy: -89.766
flat angles C4'-P-C4' energy: -75.768
flat angles P-C4'-P energy: -30.944
tors. eta vs tors. theta energy: -16.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -383.564950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.564950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.564950 (E_RNA)
where:
Base-Base interactions energy: -125.732
where: short stacking energy: -114.931
Base-Backbone interact. energy: -0.921
local terms energy: -256.912186
where:
bonds (distance) C4'-P energy: -67.408
bonds (distance) P-C4' energy: -86.676
flat angles C4'-P-C4' energy: -76.502
flat angles P-C4'-P energy: -33.336
tors. eta vs tors. theta energy: 7.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -374.355002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.355002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.355002 (E_RNA)
where:
Base-Base interactions energy: -137.706
where: short stacking energy: -107.921
Base-Backbone interact. energy: -1.205
local terms energy: -235.443523
where:
bonds (distance) C4'-P energy: -66.270
bonds (distance) P-C4' energy: -73.092
flat angles C4'-P-C4' energy: -70.490
flat angles P-C4'-P energy: -36.825
tors. eta vs tors. theta energy: 11.234
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1255.665652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.665652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.665652 (E_RNA)
where:
Base-Base interactions energy: -769.588
where: short stacking energy: -456.389
Base-Backbone interact. energy: 0.537
local terms energy: -486.614049
where:
bonds (distance) C4'-P energy: -100.601
bonds (distance) P-C4' energy: -77.406
flat angles C4'-P-C4' energy: -106.878
flat angles P-C4'-P energy: -63.855
tors. eta vs tors. theta energy: -137.874
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: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1079.818896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.818896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.818896 (E_RNA)
where:
Base-Base interactions energy: -614.470
where: short stacking energy: -398.737
Base-Backbone interact. energy: -0.182
local terms energy: -465.167004
where:
bonds (distance) C4'-P energy: -93.468
bonds (distance) P-C4' energy: -105.227
flat angles C4'-P-C4' energy: -88.987
flat angles P-C4'-P energy: -69.099
tors. eta vs tors. theta energy: -108.387
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: 3, replica: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -897.520763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.520763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.520763 (E_RNA)
where:
Base-Base interactions energy: -474.429
where: short stacking energy: -316.497
Base-Backbone interact. energy: 0.558
local terms energy: -423.649698
where:
bonds (distance) C4'-P energy: -90.299
bonds (distance) P-C4' energy: -87.866
flat angles C4'-P-C4' energy: -97.276
flat angles P-C4'-P energy: -65.441
tors. eta vs tors. theta energy: -82.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -872.877583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.877583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.877583 (E_RNA)
where:
Base-Base interactions energy: -475.456
where: short stacking energy: -279.719
Base-Backbone interact. energy: -2.025
local terms energy: -395.396557
where:
bonds (distance) C4'-P energy: -82.883
bonds (distance) P-C4' energy: -94.330
flat angles C4'-P-C4' energy: -98.498
flat angles P-C4'-P energy: -54.308
tors. eta vs tors. theta energy: -65.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -757.342325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.342325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.342325 (E_RNA)
where:
Base-Base interactions energy: -382.383
where: short stacking energy: -219.451
Base-Backbone interact. energy: -2.379
local terms energy: -372.580579
where:
bonds (distance) C4'-P energy: -87.816
bonds (distance) P-C4' energy: -97.574
flat angles C4'-P-C4' energy: -81.825
flat angles P-C4'-P energy: -66.278
tors. eta vs tors. theta energy: -39.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -558.443507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.443507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.443507 (E_RNA)
where:
Base-Base interactions energy: -259.906
where: short stacking energy: -169.711
Base-Backbone interact. energy: 1.246
local terms energy: -299.783305
where:
bonds (distance) C4'-P energy: -80.544
bonds (distance) P-C4' energy: -81.699
flat angles C4'-P-C4' energy: -77.181
flat angles P-C4'-P energy: -56.407
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -447.773892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.773892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.773892 (E_RNA)
where:
Base-Base interactions energy: -159.719
where: short stacking energy: -146.998
Base-Backbone interact. energy: -0.793
local terms energy: -287.261803
where:
bonds (distance) C4'-P energy: -74.626
bonds (distance) P-C4' energy: -82.655
flat angles C4'-P-C4' energy: -69.166
flat angles P-C4'-P energy: -43.983
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -408.011296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.011296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.011296 (E_RNA)
where:
Base-Base interactions energy: -150.012
where: short stacking energy: -137.819
Base-Backbone interact. energy: -0.662
local terms energy: -257.336801
where:
bonds (distance) C4'-P energy: -76.265
bonds (distance) P-C4' energy: -73.448
flat angles C4'-P-C4' energy: -64.010
flat angles P-C4'-P energy: -47.944
tors. eta vs tors. theta energy: 4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -386.013233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.013233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.013233 (E_RNA)
where:
Base-Base interactions energy: -132.956
where: short stacking energy: -127.924
Base-Backbone interact. energy: 1.900
local terms energy: -254.957838
where:
bonds (distance) C4'-P energy: -69.948
bonds (distance) P-C4' energy: -87.171
flat angles C4'-P-C4' energy: -47.185
flat angles P-C4'-P energy: -40.035
tors. eta vs tors. theta energy: -10.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -349.869249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.869249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.869249 (E_RNA)
where:
Base-Base interactions energy: -104.797
where: short stacking energy: -100.792
Base-Backbone interact. energy: 2.896
local terms energy: -247.967990
where:
bonds (distance) C4'-P energy: -76.129
bonds (distance) P-C4' energy: -73.667
flat angles C4'-P-C4' energy: -63.880
flat angles P-C4'-P energy: -47.590
tors. eta vs tors. theta energy: 13.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1237.667119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.667119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.667119 (E_RNA)
where:
Base-Base interactions energy: -739.277
where: short stacking energy: -425.106
Base-Backbone interact. energy: -1.440
local terms energy: -496.950048
where:
bonds (distance) C4'-P energy: -97.110
bonds (distance) P-C4' energy: -102.046
flat angles C4'-P-C4' energy: -103.266
flat angles P-C4'-P energy: -71.204
tors. eta vs tors. theta energy: -123.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1067.432590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.432590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.432590 (E_RNA)
where:
Base-Base interactions energy: -624.037
where: short stacking energy: -384.870
Base-Backbone interact. energy: -0.696
local terms energy: -442.700448
where:
bonds (distance) C4'-P energy: -89.936
bonds (distance) P-C4' energy: -88.031
flat angles C4'-P-C4' energy: -98.611
flat angles P-C4'-P energy: -58.582
tors. eta vs tors. theta energy: -107.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -907.507036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.507036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.507036 (E_RNA)
where:
Base-Base interactions energy: -481.756
where: short stacking energy: -302.401
Base-Backbone interact. energy: 0.582
local terms energy: -426.332690
where:
bonds (distance) C4'-P energy: -74.755
bonds (distance) P-C4' energy: -102.250
flat angles C4'-P-C4' energy: -98.575
flat angles P-C4'-P energy: -70.453
tors. eta vs tors. theta energy: -80.301
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: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -895.185331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.185331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.185331 (E_RNA)
where:
Base-Base interactions energy: -491.461
where: short stacking energy: -286.925
Base-Backbone interact. energy: -1.281
local terms energy: -402.443722
where:
bonds (distance) C4'-P energy: -94.164
bonds (distance) P-C4' energy: -95.902
flat angles C4'-P-C4' energy: -81.623
flat angles P-C4'-P energy: -62.295
tors. eta vs tors. theta energy: -68.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -774.599869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.599869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.599869 (E_RNA)
where:
Base-Base interactions energy: -408.513
where: short stacking energy: -245.185
Base-Backbone interact. energy: 0.626
local terms energy: -366.713228
where:
bonds (distance) C4'-P energy: -84.894
bonds (distance) P-C4' energy: -89.282
flat angles C4'-P-C4' energy: -79.370
flat angles P-C4'-P energy: -61.757
tors. eta vs tors. theta energy: -51.410
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: 1
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -620.428171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.428171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.428171 (E_RNA)
where:
Base-Base interactions energy: -293.320
where: short stacking energy: -210.938
Base-Backbone interact. energy: 0.267
local terms energy: -327.375360
where:
bonds (distance) C4'-P energy: -83.034
bonds (distance) P-C4' energy: -91.586
flat angles C4'-P-C4' energy: -67.107
flat angles P-C4'-P energy: -42.874
tors. eta vs tors. theta energy: -42.774
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: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -447.750454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.750454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.750454 (E_RNA)
where:
Base-Base interactions energy: -177.420
where: short stacking energy: -154.464
Base-Backbone interact. energy: -1.047
local terms energy: -269.284043
where:
bonds (distance) C4'-P energy: -66.271
bonds (distance) P-C4' energy: -82.654
flat angles C4'-P-C4' energy: -71.485
flat angles P-C4'-P energy: -45.688
tors. eta vs tors. theta energy: -3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -401.873280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.873280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.873280 (E_RNA)
where:
Base-Base interactions energy: -114.991
where: short stacking energy: -96.270
Base-Backbone interact. energy: 3.534
local terms energy: -290.416663
where:
bonds (distance) C4'-P energy: -91.773
bonds (distance) P-C4' energy: -91.756
flat angles C4'-P-C4' energy: -65.469
flat angles P-C4'-P energy: -42.203
tors. eta vs tors. theta energy: 0.783
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: 9, replica: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -394.912122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.912122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.912122 (E_RNA)
where:
Base-Base interactions energy: -147.698
where: short stacking energy: -124.389
Base-Backbone interact. energy: 1.365
local terms energy: -248.578442
where:
bonds (distance) C4'-P energy: -73.322
bonds (distance) P-C4' energy: -88.481
flat angles C4'-P-C4' energy: -52.158
flat angles P-C4'-P energy: -35.733
tors. eta vs tors. theta energy: 1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -357.891961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.891961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.891961 (E_RNA)
where:
Base-Base interactions energy: -123.648
where: short stacking energy: -99.474
Base-Backbone interact. energy: -2.521
local terms energy: -231.723653
where:
bonds (distance) C4'-P energy: -66.340
bonds (distance) P-C4' energy: -79.337
flat angles C4'-P-C4' energy: -51.007
flat angles P-C4'-P energy: -34.478
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1284.733831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.733831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.733831 (E_RNA)
where:
Base-Base interactions energy: -788.764
where: short stacking energy: -469.965
Base-Backbone interact. energy: -1.471
local terms energy: -494.498805
where:
bonds (distance) C4'-P energy: -89.336
bonds (distance) P-C4' energy: -91.306
flat angles C4'-P-C4' energy: -109.876
flat angles P-C4'-P energy: -65.380
tors. eta vs tors. theta energy: -138.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1092.110200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.110200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.110200 (E_RNA)
where:
Base-Base interactions energy: -624.963
where: short stacking energy: -392.984
Base-Backbone interact. energy: -0.920
local terms energy: -466.227895
where:
bonds (distance) C4'-P energy: -87.074
bonds (distance) P-C4' energy: -98.906
flat angles C4'-P-C4' energy: -103.252
flat angles P-C4'-P energy: -64.797
tors. eta vs tors. theta energy: -112.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -970.361735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.361735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.361735 (E_RNA)
where:
Base-Base interactions energy: -573.249
where: short stacking energy: -317.843
Base-Backbone interact. energy: -0.588
local terms energy: -396.524333
where:
bonds (distance) C4'-P energy: -91.363
bonds (distance) P-C4' energy: -82.243
flat angles C4'-P-C4' energy: -86.336
flat angles P-C4'-P energy: -59.279
tors. eta vs tors. theta energy: -77.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -864.948467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.948467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.948467 (E_RNA)
where:
Base-Base interactions energy: -457.228
where: short stacking energy: -292.038
Base-Backbone interact. energy: -2.140
local terms energy: -405.580561
where:
bonds (distance) C4'-P energy: -93.193
bonds (distance) P-C4' energy: -88.417
flat angles C4'-P-C4' energy: -91.881
flat angles P-C4'-P energy: -57.151
tors. eta vs tors. theta energy: -74.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -816.743806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.743806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.743806 (E_RNA)
where:
Base-Base interactions energy: -447.742
where: short stacking energy: -256.224
Base-Backbone interact. energy: -1.997
local terms energy: -367.005197
where:
bonds (distance) C4'-P energy: -80.851
bonds (distance) P-C4' energy: -88.298
flat angles C4'-P-C4' energy: -80.210
flat angles P-C4'-P energy: -56.542
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: 6, replica: 1
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -531.657625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.657625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.657625 (E_RNA)
where:
Base-Base interactions energy: -217.665
where: short stacking energy: -170.741
Base-Backbone interact. energy: -1.876
local terms energy: -312.116519
where:
bonds (distance) C4'-P energy: -68.712
bonds (distance) P-C4' energy: -82.086
flat angles C4'-P-C4' energy: -84.479
flat angles P-C4'-P energy: -55.163
tors. eta vs tors. theta energy: -21.677
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: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -429.377410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.377410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.377410 (E_RNA)
where:
Base-Base interactions energy: -154.053
where: short stacking energy: -146.864
Base-Backbone interact. energy: -1.272
local terms energy: -274.052149
where:
bonds (distance) C4'-P energy: -76.206
bonds (distance) P-C4' energy: -78.969
flat angles C4'-P-C4' energy: -78.669
flat angles P-C4'-P energy: -38.704
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: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -421.163252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.163252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.163252 (E_RNA)
where:
Base-Base interactions energy: -138.505
where: short stacking energy: -111.419
Base-Backbone interact. energy: -1.786
local terms energy: -280.872605
where:
bonds (distance) C4'-P energy: -79.426
bonds (distance) P-C4' energy: -98.396
flat angles C4'-P-C4' energy: -61.977
flat angles P-C4'-P energy: -47.361
tors. eta vs tors. theta energy: 6.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -398.152049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.152049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.152049 (E_RNA)
where:
Base-Base interactions energy: -128.844
where: short stacking energy: -112.732
Base-Backbone interact. energy: -0.534
local terms energy: -268.773867
where:
bonds (distance) C4'-P energy: -91.385
bonds (distance) P-C4' energy: -77.517
flat angles C4'-P-C4' energy: -63.587
flat angles P-C4'-P energy: -35.980
tors. eta vs tors. theta energy: -0.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -376.151337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.151337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.151337 (E_RNA)
where:
Base-Base interactions energy: -120.501
where: short stacking energy: -107.169
Base-Backbone interact. energy: 1.719
local terms energy: -257.369720
where:
bonds (distance) C4'-P energy: -76.044
bonds (distance) P-C4' energy: -89.301
flat angles C4'-P-C4' energy: -61.222
flat angles P-C4'-P energy: -37.977
tors. eta vs tors. theta energy: 7.174
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1275.995940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.995940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.995940 (E_RNA)
where:
Base-Base interactions energy: -774.150
where: short stacking energy: -454.129
Base-Backbone interact. energy: -1.457
local terms energy: -500.389285
where:
bonds (distance) C4'-P energy: -93.891
bonds (distance) P-C4' energy: -88.036
flat angles C4'-P-C4' energy: -103.237
flat angles P-C4'-P energy: -69.111
tors. eta vs tors. theta energy: -146.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1056.754519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.754519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.754519 (E_RNA)
where:
Base-Base interactions energy: -601.939
where: short stacking energy: -359.771
Base-Backbone interact. energy: -1.054
local terms energy: -453.761262
where:
bonds (distance) C4'-P energy: -91.213
bonds (distance) P-C4' energy: -91.421
flat angles C4'-P-C4' energy: -105.380
flat angles P-C4'-P energy: -61.323
tors. eta vs tors. theta energy: -104.424
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: 3, replica: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -982.526647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.526647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.526647 (E_RNA)
where:
Base-Base interactions energy: -553.701
where: short stacking energy: -317.027
Base-Backbone interact. energy: -1.948
local terms energy: -426.877139
where:
bonds (distance) C4'-P energy: -73.798
bonds (distance) P-C4' energy: -97.833
flat angles C4'-P-C4' energy: -102.495
flat angles P-C4'-P energy: -60.016
tors. eta vs tors. theta energy: -92.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -835.087461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.087461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.087461 (E_RNA)
where:
Base-Base interactions energy: -459.842
where: short stacking energy: -298.173
Base-Backbone interact. energy: -1.957
local terms energy: -373.287770
where:
bonds (distance) C4'-P energy: -72.626
bonds (distance) P-C4' energy: -81.655
flat angles C4'-P-C4' energy: -91.302
flat angles P-C4'-P energy: -53.534
tors. eta vs tors. theta energy: -74.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -771.838130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.838130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.838130 (E_RNA)
where:
Base-Base interactions energy: -390.846
where: short stacking energy: -249.759
Base-Backbone interact. energy: -1.352
local terms energy: -379.640689
where:
bonds (distance) C4'-P energy: -89.076
bonds (distance) P-C4' energy: -84.206
flat angles C4'-P-C4' energy: -89.497
flat angles P-C4'-P energy: -58.060
tors. eta vs tors. theta energy: -58.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -545.646600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.646600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.646600 (E_RNA)
where:
Base-Base interactions energy: -232.149
where: short stacking energy: -167.037
Base-Backbone interact. energy: 0.850
local terms energy: -314.348162
where:
bonds (distance) C4'-P energy: -87.221
bonds (distance) P-C4' energy: -79.701
flat angles C4'-P-C4' energy: -76.767
flat angles P-C4'-P energy: -51.170
tors. eta vs tors. theta energy: -19.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -497.985992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.985992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.985992 (E_RNA)
where:
Base-Base interactions energy: -192.234
where: short stacking energy: -163.044
Base-Backbone interact. energy: 3.358
local terms energy: -309.109956
where:
bonds (distance) C4'-P energy: -83.698
bonds (distance) P-C4' energy: -75.636
flat angles C4'-P-C4' energy: -71.504
flat angles P-C4'-P energy: -55.928
tors. eta vs tors. theta energy: -22.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -409.374741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.374741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.374741 (E_RNA)
where:
Base-Base interactions energy: -129.827
where: short stacking energy: -113.789
Base-Backbone interact. energy: 0.228
local terms energy: -279.776599
where:
bonds (distance) C4'-P energy: -83.750
bonds (distance) P-C4' energy: -83.221
flat angles C4'-P-C4' energy: -62.718
flat angles P-C4'-P energy: -52.569
tors. eta vs tors. theta energy: 2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -370.756311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.756311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.756311 (E_RNA)
where:
Base-Base interactions energy: -142.263
where: short stacking energy: -123.842
Base-Backbone interact. energy: 0.091
local terms energy: -228.584102
where:
bonds (distance) C4'-P energy: -73.441
bonds (distance) P-C4' energy: -71.077
flat angles C4'-P-C4' energy: -63.383
flat angles P-C4'-P energy: -33.861
tors. eta vs tors. theta energy: 13.177
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: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -383.735351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.735351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.735351 (E_RNA)
where:
Base-Base interactions energy: -124.039
where: short stacking energy: -96.737
Base-Backbone interact. energy: 1.589
local terms energy: -261.284880
where:
bonds (distance) C4'-P energy: -76.596
bonds (distance) P-C4' energy: -82.950
flat angles C4'-P-C4' energy: -66.635
flat angles P-C4'-P energy: -42.730
tors. eta vs tors. theta energy: 7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1281.842889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.842889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.842889 (E_RNA)
where:
Base-Base interactions energy: -780.717
where: short stacking energy: -444.191
Base-Backbone interact. energy: -0.985
local terms energy: -500.140797
where:
bonds (distance) C4'-P energy: -90.516
bonds (distance) P-C4' energy: -90.296
flat angles C4'-P-C4' energy: -99.190
flat angles P-C4'-P energy: -80.917
tors. eta vs tors. theta energy: -139.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1051.638667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.638667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.638667 (E_RNA)
where:
Base-Base interactions energy: -593.316
where: short stacking energy: -361.609
Base-Backbone interact. energy: 0.494
local terms energy: -458.817008
where:
bonds (distance) C4'-P energy: -107.260
bonds (distance) P-C4' energy: -89.466
flat angles C4'-P-C4' energy: -92.993
flat angles P-C4'-P energy: -62.098
tors. eta vs tors. theta energy: -107.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -977.618785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.618785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.618785 (E_RNA)
where:
Base-Base interactions energy: -544.689
where: short stacking energy: -312.132
Base-Backbone interact. energy: -2.139
local terms energy: -430.790996
where:
bonds (distance) C4'-P energy: -89.353
bonds (distance) P-C4' energy: -97.804
flat angles C4'-P-C4' energy: -98.400
flat angles P-C4'-P energy: -56.906
tors. eta vs tors. theta energy: -88.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -841.348378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.348378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.348378 (E_RNA)
where:
Base-Base interactions energy: -443.725
where: short stacking energy: -282.057
Base-Backbone interact. energy: -1.555
local terms energy: -396.068395
where:
bonds (distance) C4'-P energy: -85.203
bonds (distance) P-C4' energy: -86.188
flat angles C4'-P-C4' energy: -91.141
flat angles P-C4'-P energy: -61.459
tors. eta vs tors. theta energy: -72.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -753.358081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.358081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.358081 (E_RNA)
where:
Base-Base interactions energy: -395.686
where: short stacking energy: -238.323
Base-Backbone interact. energy: -0.282
local terms energy: -357.390268
where:
bonds (distance) C4'-P energy: -98.297
bonds (distance) P-C4' energy: -80.793
flat angles C4'-P-C4' energy: -85.468
flat angles P-C4'-P energy: -58.723
tors. eta vs tors. theta energy: -34.110
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: 6, replica: 1
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -584.602690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.602690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.602690 (E_RNA)
where:
Base-Base interactions energy: -280.206
where: short stacking energy: -171.229
Base-Backbone interact. energy: 2.445
local terms energy: -306.841067
where:
bonds (distance) C4'-P energy: -85.977
bonds (distance) P-C4' energy: -78.758
flat angles C4'-P-C4' energy: -82.322
flat angles P-C4'-P energy: -40.757
tors. eta vs tors. theta energy: -19.028
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: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -444.975704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.975704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.975704 (E_RNA)
where:
Base-Base interactions energy: -146.789
where: short stacking energy: -144.700
Base-Backbone interact. energy: -0.108
local terms energy: -298.078133
where:
bonds (distance) C4'-P energy: -85.578
bonds (distance) P-C4' energy: -91.369
flat angles C4'-P-C4' energy: -79.340
flat angles P-C4'-P energy: -35.679
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: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -433.285414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.285414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.285414 (E_RNA)
where:
Base-Base interactions energy: -138.263
where: short stacking energy: -120.499
Base-Backbone interact. energy: 0.961
local terms energy: -295.982987
where:
bonds (distance) C4'-P energy: -77.398
bonds (distance) P-C4' energy: -89.483
flat angles C4'-P-C4' energy: -73.754
flat angles P-C4'-P energy: -53.491
tors. eta vs tors. theta energy: -1.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -367.513773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.513773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.513773 (E_RNA)
where:
Base-Base interactions energy: -121.967
where: short stacking energy: -118.878
Base-Backbone interact. energy: -2.146
local terms energy: -243.400870
where:
bonds (distance) C4'-P energy: -73.258
bonds (distance) P-C4' energy: -77.900
flat angles C4'-P-C4' energy: -53.834
flat angles P-C4'-P energy: -47.558
tors. eta vs tors. theta energy: 9.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -377.038717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.038717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.038717 (E_RNA)
where:
Base-Base interactions energy: -133.686
where: short stacking energy: -130.944
Base-Backbone interact. energy: 0.570
local terms energy: -243.922284
where:
bonds (distance) C4'-P energy: -78.443
bonds (distance) P-C4' energy: -77.665
flat angles C4'-P-C4' energy: -47.705
flat angles P-C4'-P energy: -42.953
tors. eta vs tors. theta energy: 2.843
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1276.944296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.944296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.944296 (E_RNA)
where:
Base-Base interactions energy: -774.854
where: short stacking energy: -446.573
Base-Backbone interact. energy: -1.466
local terms energy: -500.624952
where:
bonds (distance) C4'-P energy: -91.921
bonds (distance) P-C4' energy: -87.121
flat angles C4'-P-C4' energy: -105.243
flat angles P-C4'-P energy: -72.790
tors. eta vs tors. theta energy: -143.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1072.311044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.311044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.311044 (E_RNA)
where:
Base-Base interactions energy: -621.864
where: short stacking energy: -394.041
Base-Backbone interact. energy: 0.335
local terms energy: -450.782776
where:
bonds (distance) C4'-P energy: -89.126
bonds (distance) P-C4' energy: -92.592
flat angles C4'-P-C4' energy: -92.614
flat angles P-C4'-P energy: -53.753
tors. eta vs tors. theta energy: -122.697
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: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -998.690654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.690654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.690654 (E_RNA)
where:
Base-Base interactions energy: -589.266
where: short stacking energy: -343.267
Base-Backbone interact. energy: -0.977
local terms energy: -408.448278
where:
bonds (distance) C4'-P energy: -80.218
bonds (distance) P-C4' energy: -87.844
flat angles C4'-P-C4' energy: -94.221
flat angles P-C4'-P energy: -53.545
tors. eta vs tors. theta energy: -92.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -807.605694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.605694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.605694 (E_RNA)
where:
Base-Base interactions energy: -441.687
where: short stacking energy: -257.266
Base-Backbone interact. energy: 0.989
local terms energy: -366.907931
where:
bonds (distance) C4'-P energy: -84.367
bonds (distance) P-C4' energy: -86.955
flat angles C4'-P-C4' energy: -80.568
flat angles P-C4'-P energy: -56.807
tors. eta vs tors. theta energy: -58.210
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: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -767.581198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.581198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.581198 (E_RNA)
where:
Base-Base interactions energy: -412.853
where: short stacking energy: -261.879
Base-Backbone interact. energy: -1.150
local terms energy: -353.577759
where:
bonds (distance) C4'-P energy: -78.897
bonds (distance) P-C4' energy: -82.189
flat angles C4'-P-C4' energy: -85.320
flat angles P-C4'-P energy: -55.160
tors. eta vs tors. theta energy: -52.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -623.582876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.582876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.582876 (E_RNA)
where:
Base-Base interactions energy: -290.709
where: short stacking energy: -188.470
Base-Backbone interact. energy: 1.388
local terms energy: -334.261970
where:
bonds (distance) C4'-P energy: -81.917
bonds (distance) P-C4' energy: -86.380
flat angles C4'-P-C4' energy: -80.315
flat angles P-C4'-P energy: -50.911
tors. eta vs tors. theta energy: -34.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -486.964675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.964675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.964675 (E_RNA)
where:
Base-Base interactions energy: -210.609
where: short stacking energy: -145.491
Base-Backbone interact. energy: -2.394
local terms energy: -273.962184
where:
bonds (distance) C4'-P energy: -85.078
bonds (distance) P-C4' energy: -66.550
flat angles C4'-P-C4' energy: -64.624
flat angles P-C4'-P energy: -43.150
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: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -410.400121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.400121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.400121 (E_RNA)
where:
Base-Base interactions energy: -143.332
where: short stacking energy: -138.167
Base-Backbone interact. energy: 3.991
local terms energy: -271.059742
where:
bonds (distance) C4'-P energy: -79.987
bonds (distance) P-C4' energy: -59.987
flat angles C4'-P-C4' energy: -64.621
flat angles P-C4'-P energy: -59.724
tors. eta vs tors. theta energy: -6.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -364.881875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.881875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.881875 (E_RNA)
where:
Base-Base interactions energy: -132.273
where: short stacking energy: -105.812
Base-Backbone interact. energy: 1.734
local terms energy: -234.342670
where:
bonds (distance) C4'-P energy: -73.882
bonds (distance) P-C4' energy: -75.327
flat angles C4'-P-C4' energy: -65.547
flat angles P-C4'-P energy: -35.045
tors. eta vs tors. theta energy: 15.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -348.948152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.948152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.948152 (E_RNA)
where:
Base-Base interactions energy: -102.262
where: short stacking energy: -84.344
Base-Backbone interact. energy: 0.314
local terms energy: -247.000490
where:
bonds (distance) C4'-P energy: -91.134
bonds (distance) P-C4' energy: -86.722
flat angles C4'-P-C4' energy: -56.055
flat angles P-C4'-P energy: -32.933
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1265.295745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.295745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.295745 (E_RNA)
where:
Base-Base interactions energy: -764.276
where: short stacking energy: -440.459
Base-Backbone interact. energy: -1.141
local terms energy: -499.878774
where:
bonds (distance) C4'-P energy: -88.442
bonds (distance) P-C4' energy: -101.371
flat angles C4'-P-C4' energy: -106.158
flat angles P-C4'-P energy: -60.507
tors. eta vs tors. theta energy: -143.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1055.079408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.079408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.079408 (E_RNA)
where:
Base-Base interactions energy: -620.415
where: short stacking energy: -385.823
Base-Backbone interact. energy: -0.796
local terms energy: -433.868376
where:
bonds (distance) C4'-P energy: -82.125
bonds (distance) P-C4' energy: -92.106
flat angles C4'-P-C4' energy: -92.044
flat angles P-C4'-P energy: -61.492
tors. eta vs tors. theta energy: -106.101
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: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -977.973003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.973003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.973003 (E_RNA)
where:
Base-Base interactions energy: -552.338
where: short stacking energy: -342.953
Base-Backbone interact. energy: -1.294
local terms energy: -424.340644
where:
bonds (distance) C4'-P energy: -88.421
bonds (distance) P-C4' energy: -93.152
flat angles C4'-P-C4' energy: -89.001
flat angles P-C4'-P energy: -56.900
tors. eta vs tors. theta energy: -96.867
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: 4, replica: 9
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -874.172177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.172177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.172177 (E_RNA)
where:
Base-Base interactions energy: -470.864
where: short stacking energy: -290.427
Base-Backbone interact. energy: -0.722
local terms energy: -402.585928
where:
bonds (distance) C4'-P energy: -74.878
bonds (distance) P-C4' energy: -95.267
flat angles C4'-P-C4' energy: -87.684
flat angles P-C4'-P energy: -71.399
tors. eta vs tors. theta energy: -73.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -766.878485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.878485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.878485 (E_RNA)
where:
Base-Base interactions energy: -412.314
where: short stacking energy: -256.263
Base-Backbone interact. energy: -1.633
local terms energy: -352.931589
where:
bonds (distance) C4'-P energy: -77.009
bonds (distance) P-C4' energy: -87.074
flat angles C4'-P-C4' energy: -77.372
flat angles P-C4'-P energy: -59.130
tors. eta vs tors. theta energy: -52.347
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: 1
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -629.707168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.707168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.707168 (E_RNA)
where:
Base-Base interactions energy: -290.074
where: short stacking energy: -179.564
Base-Backbone interact. energy: -1.608
local terms energy: -338.025047
where:
bonds (distance) C4'-P energy: -92.423
bonds (distance) P-C4' energy: -100.456
flat angles C4'-P-C4' energy: -87.076
flat angles P-C4'-P energy: -37.457
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -460.208253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.208253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.208253 (E_RNA)
where:
Base-Base interactions energy: -141.212
where: short stacking energy: -131.692
Base-Backbone interact. energy: 0.956
local terms energy: -319.951971
where:
bonds (distance) C4'-P energy: -74.855
bonds (distance) P-C4' energy: -94.406
flat angles C4'-P-C4' energy: -76.597
flat angles P-C4'-P energy: -58.660
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -387.643024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.643024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.643024 (E_RNA)
where:
Base-Base interactions energy: -131.584
where: short stacking energy: -125.274
Base-Backbone interact. energy: -2.053
local terms energy: -254.005856
where:
bonds (distance) C4'-P energy: -71.979
bonds (distance) P-C4' energy: -76.072
flat angles C4'-P-C4' energy: -59.077
flat angles P-C4'-P energy: -50.234
tors. eta vs tors. theta energy: 3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -403.197399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.197399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.197399 (E_RNA)
where:
Base-Base interactions energy: -138.353
where: short stacking energy: -130.159
Base-Backbone interact. energy: 1.780
local terms energy: -266.625255
where:
bonds (distance) C4'-P energy: -72.335
bonds (distance) P-C4' energy: -91.204
flat angles C4'-P-C4' energy: -62.512
flat angles P-C4'-P energy: -42.799
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: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -360.413485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.413485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.413485 (E_RNA)
where:
Base-Base interactions energy: -107.023
where: short stacking energy: -100.598
Base-Backbone interact. energy: 2.763
local terms energy: -256.153073
where:
bonds (distance) C4'-P energy: -85.431
bonds (distance) P-C4' energy: -93.073
flat angles C4'-P-C4' energy: -57.337
flat angles P-C4'-P energy: -35.030
tors. eta vs tors. theta energy: 14.717
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1304.177616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.177616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.177616 (E_RNA)
where:
Base-Base interactions energy: -808.636
where: short stacking energy: -455.109
Base-Backbone interact. energy: -1.629
local terms energy: -493.913072
where:
bonds (distance) C4'-P energy: -98.007
bonds (distance) P-C4' energy: -77.787
flat angles C4'-P-C4' energy: -109.392
flat angles P-C4'-P energy: -71.564
tors. eta vs tors. theta energy: -137.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1060.448668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.448668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.448668 (E_RNA)
where:
Base-Base interactions energy: -591.815
where: short stacking energy: -370.550
Base-Backbone interact. energy: -1.725
local terms energy: -466.908707
where:
bonds (distance) C4'-P energy: -96.734
bonds (distance) P-C4' energy: -95.884
flat angles C4'-P-C4' energy: -92.524
flat angles P-C4'-P energy: -71.523
tors. eta vs tors. theta energy: -110.244
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: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -974.878417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.878417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.878417 (E_RNA)
where:
Base-Base interactions energy: -542.950
where: short stacking energy: -324.023
Base-Backbone interact. energy: -1.123
local terms energy: -430.805757
where:
bonds (distance) C4'-P energy: -92.038
bonds (distance) P-C4' energy: -89.331
flat angles C4'-P-C4' energy: -95.765
flat angles P-C4'-P energy: -64.571
tors. eta vs tors. theta energy: -89.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -893.565737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.565737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.565737 (E_RNA)
where:
Base-Base interactions energy: -499.201
where: short stacking energy: -315.387
Base-Backbone interact. energy: 1.111
local terms energy: -395.475227
where:
bonds (distance) C4'-P energy: -72.676
bonds (distance) P-C4' energy: -87.717
flat angles C4'-P-C4' energy: -91.903
flat angles P-C4'-P energy: -48.176
tors. eta vs tors. theta energy: -95.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -718.619699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.619699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.619699 (E_RNA)
where:
Base-Base interactions energy: -394.144
where: short stacking energy: -227.911
Base-Backbone interact. energy: -2.447
local terms energy: -322.028210
where:
bonds (distance) C4'-P energy: -81.654
bonds (distance) P-C4' energy: -80.847
flat angles C4'-P-C4' energy: -69.725
flat angles P-C4'-P energy: -57.407
tors. eta vs tors. theta energy: -32.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -606.200227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.200227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.200227 (E_RNA)
where:
Base-Base interactions energy: -283.672
where: short stacking energy: -194.700
Base-Backbone interact. energy: 3.088
local terms energy: -325.615633
where:
bonds (distance) C4'-P energy: -81.051
bonds (distance) P-C4' energy: -90.749
flat angles C4'-P-C4' energy: -74.690
flat angles P-C4'-P energy: -41.277
tors. eta vs tors. theta energy: -37.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -428.864598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.864598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.864598 (E_RNA)
where:
Base-Base interactions energy: -144.919
where: short stacking energy: -134.611
Base-Backbone interact. energy: -2.535
local terms energy: -281.411271
where:
bonds (distance) C4'-P energy: -75.850
bonds (distance) P-C4' energy: -84.317
flat angles C4'-P-C4' energy: -63.519
flat angles P-C4'-P energy: -47.055
tors. eta vs tors. theta energy: -10.670
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: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -414.809154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.809154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.809154 (E_RNA)
where:
Base-Base interactions energy: -142.613
where: short stacking energy: -123.444
Base-Backbone interact. energy: 0.172
local terms energy: -272.368552
where:
bonds (distance) C4'-P energy: -67.467
bonds (distance) P-C4' energy: -91.507
flat angles C4'-P-C4' energy: -79.361
flat angles P-C4'-P energy: -44.049
tors. eta vs tors. theta energy: 10.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -400.850302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.850302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.850302 (E_RNA)
where:
Base-Base interactions energy: -123.870
where: short stacking energy: -103.757
Base-Backbone interact. energy: 0.515
local terms energy: -277.495559
where:
bonds (distance) C4'-P energy: -86.282
bonds (distance) P-C4' energy: -85.078
flat angles C4'-P-C4' energy: -70.101
flat angles P-C4'-P energy: -41.668
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: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -356.430858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.430858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.430858 (E_RNA)
where:
Base-Base interactions energy: -110.373
where: short stacking energy: -102.848
Base-Backbone interact. energy: 0.941
local terms energy: -246.998461
where:
bonds (distance) C4'-P energy: -65.915
bonds (distance) P-C4' energy: -85.739
flat angles C4'-P-C4' energy: -77.308
flat angles P-C4'-P energy: -41.465
tors. eta vs tors. theta energy: 23.428
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1268.657181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.657181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.657181 (E_RNA)
where:
Base-Base interactions energy: -784.968
where: short stacking energy: -434.551
Base-Backbone interact. energy: -1.166
local terms energy: -482.523382
where:
bonds (distance) C4'-P energy: -99.015
bonds (distance) P-C4' energy: -91.927
flat angles C4'-P-C4' energy: -100.744
flat angles P-C4'-P energy: -61.308
tors. eta vs tors. theta energy: -129.529
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: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1075.907944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.907944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.907944 (E_RNA)
where:
Base-Base interactions energy: -596.009
where: short stacking energy: -373.222
Base-Backbone interact. energy: -2.411
local terms energy: -477.488501
where:
bonds (distance) C4'-P energy: -98.619
bonds (distance) P-C4' energy: -97.246
flat angles C4'-P-C4' energy: -110.263
flat angles P-C4'-P energy: -70.021
tors. eta vs tors. theta energy: -101.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -907.545622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.545622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.545622 (E_RNA)
where:
Base-Base interactions energy: -482.005
where: short stacking energy: -295.283
Base-Backbone interact. energy: 0.187
local terms energy: -425.727821
where:
bonds (distance) C4'-P energy: -95.599
bonds (distance) P-C4' energy: -85.245
flat angles C4'-P-C4' energy: -93.668
flat angles P-C4'-P energy: -68.536
tors. eta vs tors. theta energy: -82.680
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: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -891.692055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.692055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.692055 (E_RNA)
where:
Base-Base interactions energy: -474.348
where: short stacking energy: -279.387
Base-Backbone interact. energy: -2.255
local terms energy: -415.089174
where:
bonds (distance) C4'-P energy: -101.320
bonds (distance) P-C4' energy: -89.225
flat angles C4'-P-C4' energy: -103.651
flat angles P-C4'-P energy: -52.498
tors. eta vs tors. theta energy: -68.394
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: 228
Temperature: 1.100000
Total energy: -754.324267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.324267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.324267 (E_RNA)
where:
Base-Base interactions energy: -390.450
where: short stacking energy: -245.606
Base-Backbone interact. energy: -1.152
local terms energy: -362.722192
where:
bonds (distance) C4'-P energy: -81.571
bonds (distance) P-C4' energy: -84.182
flat angles C4'-P-C4' energy: -87.763
flat angles P-C4'-P energy: -55.836
tors. eta vs tors. theta energy: -53.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -616.423914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.423914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.423914 (E_RNA)
where:
Base-Base interactions energy: -293.686
where: short stacking energy: -190.748
Base-Backbone interact. energy: 3.639
local terms energy: -326.376626
where:
bonds (distance) C4'-P energy: -71.022
bonds (distance) P-C4' energy: -81.941
flat angles C4'-P-C4' energy: -85.620
flat angles P-C4'-P energy: -52.869
tors. eta vs tors. theta energy: -34.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -439.912837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.912837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.912837 (E_RNA)
where:
Base-Base interactions energy: -156.931
where: short stacking energy: -130.836
Base-Backbone interact. energy: 1.632
local terms energy: -284.613724
where:
bonds (distance) C4'-P energy: -71.369
bonds (distance) P-C4' energy: -104.661
flat angles C4'-P-C4' energy: -72.777
flat angles P-C4'-P energy: -49.335
tors. eta vs tors. theta energy: 13.529
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: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -436.320830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.320830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.320830 (E_RNA)
where:
Base-Base interactions energy: -128.672
where: short stacking energy: -116.373
Base-Backbone interact. energy: -1.283
local terms energy: -306.365179
where:
bonds (distance) C4'-P energy: -89.897
bonds (distance) P-C4' energy: -84.636
flat angles C4'-P-C4' energy: -83.749
flat angles P-C4'-P energy: -52.987
tors. eta vs tors. theta energy: 4.904
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: 9, replica: 5
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -390.336054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.336054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.336054 (E_RNA)
where:
Base-Base interactions energy: -155.893
where: short stacking energy: -127.695
Base-Backbone interact. energy: -0.005
local terms energy: -234.437712
where:
bonds (distance) C4'-P energy: -75.044
bonds (distance) P-C4' energy: -73.074
flat angles C4'-P-C4' energy: -57.529
flat angles P-C4'-P energy: -29.768
tors. eta vs tors. theta energy: 0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -339.214394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.214394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.214394 (E_RNA)
where:
Base-Base interactions energy: -111.565
where: short stacking energy: -88.522
Base-Backbone interact. energy: 4.040
local terms energy: -231.688904
where:
bonds (distance) C4'-P energy: -63.488
bonds (distance) P-C4' energy: -76.993
flat angles C4'-P-C4' energy: -72.319
flat angles P-C4'-P energy: -35.653
tors. eta vs tors. theta energy: 16.765
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1270.898638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.898638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.898638 (E_RNA)
where:
Base-Base interactions energy: -791.832
where: short stacking energy: -432.289
Base-Backbone interact. energy: 1.412
local terms energy: -480.478795
where:
bonds (distance) C4'-P energy: -103.159
bonds (distance) P-C4' energy: -91.557
flat angles C4'-P-C4' energy: -101.575
flat angles P-C4'-P energy: -64.231
tors. eta vs tors. theta energy: -119.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1073.425762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.425762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.425762 (E_RNA)
where:
Base-Base interactions energy: -602.717
where: short stacking energy: -370.978
Base-Backbone interact. energy: -0.658
local terms energy: -470.051160
where:
bonds (distance) C4'-P energy: -92.611
bonds (distance) P-C4' energy: -96.080
flat angles C4'-P-C4' energy: -105.436
flat angles P-C4'-P energy: -67.783
tors. eta vs tors. theta energy: -108.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -915.130498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.130498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.130498 (E_RNA)
where:
Base-Base interactions energy: -500.887
where: short stacking energy: -322.881
Base-Backbone interact. energy: -1.396
local terms energy: -412.848376
where:
bonds (distance) C4'-P energy: -79.987
bonds (distance) P-C4' energy: -87.562
flat angles C4'-P-C4' energy: -99.583
flat angles P-C4'-P energy: -58.303
tors. eta vs tors. theta energy: -87.413
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: 229
Temperature: 1.050000
Total energy: -845.458915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.458915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.458915 (E_RNA)
where:
Base-Base interactions energy: -463.419
where: short stacking energy: -269.093
Base-Backbone interact. energy: -1.482
local terms energy: -380.557502
where:
bonds (distance) C4'-P energy: -82.642
bonds (distance) P-C4' energy: -77.333
flat angles C4'-P-C4' energy: -98.036
flat angles P-C4'-P energy: -64.059
tors. eta vs tors. theta energy: -58.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -773.994148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.994148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.994148 (E_RNA)
where:
Base-Base interactions energy: -410.715
where: short stacking energy: -235.370
Base-Backbone interact. energy: -2.703
local terms energy: -360.576102
where:
bonds (distance) C4'-P energy: -84.404
bonds (distance) P-C4' energy: -90.024
flat angles C4'-P-C4' energy: -78.530
flat angles P-C4'-P energy: -67.990
tors. eta vs tors. theta energy: -39.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -587.076819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.076819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.076819 (E_RNA)
where:
Base-Base interactions energy: -253.080
where: short stacking energy: -193.499
Base-Backbone interact. energy: -1.341
local terms energy: -332.656369
where:
bonds (distance) C4'-P energy: -79.542
bonds (distance) P-C4' energy: -95.458
flat angles C4'-P-C4' energy: -91.528
flat angles P-C4'-P energy: -37.609
tors. eta vs tors. theta energy: -28.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -433.004603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.004603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.004603 (E_RNA)
where:
Base-Base interactions energy: -165.284
where: short stacking energy: -144.084
Base-Backbone interact. energy: -0.400
local terms energy: -267.320365
where:
bonds (distance) C4'-P energy: -73.760
bonds (distance) P-C4' energy: -92.655
flat angles C4'-P-C4' energy: -57.906
flat angles P-C4'-P energy: -31.795
tors. eta vs tors. theta energy: -11.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -418.576710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.576710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.576710 (E_RNA)
where:
Base-Base interactions energy: -157.388
where: short stacking energy: -140.360
Base-Backbone interact. energy: -0.093
local terms energy: -261.095218
where:
bonds (distance) C4'-P energy: -59.810
bonds (distance) P-C4' energy: -81.798
flat angles C4'-P-C4' energy: -77.073
flat angles P-C4'-P energy: -45.500
tors. eta vs tors. theta energy: 3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -404.164870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.164870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.164870 (E_RNA)
where:
Base-Base interactions energy: -145.469
where: short stacking energy: -122.058
Base-Backbone interact. energy: -3.098
local terms energy: -255.597777
where:
bonds (distance) C4'-P energy: -80.915
bonds (distance) P-C4' energy: -71.429
flat angles C4'-P-C4' energy: -77.273
flat angles P-C4'-P energy: -27.656
tors. eta vs tors. theta energy: 1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -366.390810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.390810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.390810 (E_RNA)
where:
Base-Base interactions energy: -98.761
where: short stacking energy: -94.738
Base-Backbone interact. energy: -0.652
local terms energy: -266.977712
where:
bonds (distance) C4'-P energy: -81.833
bonds (distance) P-C4' energy: -96.288
flat angles C4'-P-C4' energy: -56.046
flat angles P-C4'-P energy: -51.682
tors. eta vs tors. theta energy: 18.872
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1283.193517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.193517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.193517 (E_RNA)
where:
Base-Base interactions energy: -783.555
where: short stacking energy: -436.895
Base-Backbone interact. energy: -1.246
local terms energy: -498.392528
where:
bonds (distance) C4'-P energy: -101.378
bonds (distance) P-C4' energy: -94.629
flat angles C4'-P-C4' energy: -103.581
flat angles P-C4'-P energy: -67.275
tors. eta vs tors. theta energy: -131.529
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: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1053.845599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.845599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.845599 (E_RNA)
where:
Base-Base interactions energy: -588.961
where: short stacking energy: -369.887
Base-Backbone interact. energy: -1.186
local terms energy: -463.698895
where:
bonds (distance) C4'-P energy: -97.227
bonds (distance) P-C4' energy: -94.899
flat angles C4'-P-C4' energy: -99.341
flat angles P-C4'-P energy: -74.451
tors. eta vs tors. theta energy: -97.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -887.814007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.814007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.814007 (E_RNA)
where:
Base-Base interactions energy: -469.175
where: short stacking energy: -290.861
Base-Backbone interact. energy: 0.223
local terms energy: -418.862215
where:
bonds (distance) C4'-P energy: -88.789
bonds (distance) P-C4' energy: -87.821
flat angles C4'-P-C4' energy: -86.061
flat angles P-C4'-P energy: -73.375
tors. eta vs tors. theta energy: -82.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -845.003314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.003314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.003314 (E_RNA)
where:
Base-Base interactions energy: -472.407
where: short stacking energy: -271.093
Base-Backbone interact. energy: -0.880
local terms energy: -371.716486
where:
bonds (distance) C4'-P energy: -78.363
bonds (distance) P-C4' energy: -90.006
flat angles C4'-P-C4' energy: -92.287
flat angles P-C4'-P energy: -55.640
tors. eta vs tors. theta energy: -55.420
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: 230
Temperature: 1.100000
Total energy: -767.887150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.887150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.887150 (E_RNA)
where:
Base-Base interactions energy: -401.601
where: short stacking energy: -230.659
Base-Backbone interact. energy: -1.835
local terms energy: -364.451281
where:
bonds (distance) C4'-P energy: -82.875
bonds (distance) P-C4' energy: -98.605
flat angles C4'-P-C4' energy: -88.296
flat angles P-C4'-P energy: -57.135
tors. eta vs tors. theta energy: -37.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -541.345266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.345266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.345266 (E_RNA)
where:
Base-Base interactions energy: -241.065
where: short stacking energy: -184.278
Base-Backbone interact. energy: 1.925
local terms energy: -302.205964
where:
bonds (distance) C4'-P energy: -91.254
bonds (distance) P-C4' energy: -76.779
flat angles C4'-P-C4' energy: -71.373
flat angles P-C4'-P energy: -52.147
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -444.399736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.399736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.399736 (E_RNA)
where:
Base-Base interactions energy: -173.697
where: short stacking energy: -153.960
Base-Backbone interact. energy: 0.575
local terms energy: -271.278195
where:
bonds (distance) C4'-P energy: -85.566
bonds (distance) P-C4' energy: -83.673
flat angles C4'-P-C4' energy: -70.542
flat angles P-C4'-P energy: -31.717
tors. eta vs tors. theta energy: 0.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -406.073010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.073010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.073010 (E_RNA)
where:
Base-Base interactions energy: -141.499
where: short stacking energy: -118.740
Base-Backbone interact. energy: -0.350
local terms energy: -264.224686
where:
bonds (distance) C4'-P energy: -87.153
bonds (distance) P-C4' energy: -75.300
flat angles C4'-P-C4' energy: -57.702
flat angles P-C4'-P energy: -47.835
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: 5
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -369.034328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.034328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.034328 (E_RNA)
where:
Base-Base interactions energy: -137.765
where: short stacking energy: -123.535
Base-Backbone interact. energy: -4.258
local terms energy: -227.011506
where:
bonds (distance) C4'-P energy: -73.002
bonds (distance) P-C4' energy: -82.420
flat angles C4'-P-C4' energy: -62.288
flat angles P-C4'-P energy: -26.503
tors. eta vs tors. theta energy: 17.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -349.464186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.464186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.464186 (E_RNA)
where:
Base-Base interactions energy: -104.155
where: short stacking energy: -75.628
Base-Backbone interact. energy: -0.550
local terms energy: -244.759057
where:
bonds (distance) C4'-P energy: -80.249
bonds (distance) P-C4' energy: -81.433
flat angles C4'-P-C4' energy: -51.291
flat angles P-C4'-P energy: -55.126
tors. eta vs tors. theta energy: 23.339
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1257.266465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.266465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.266465 (E_RNA)
where:
Base-Base interactions energy: -772.838
where: short stacking energy: -428.526
Base-Backbone interact. energy: -0.739
local terms energy: -483.688564
where:
bonds (distance) C4'-P energy: -83.627
bonds (distance) P-C4' energy: -93.776
flat angles C4'-P-C4' energy: -110.772
flat angles P-C4'-P energy: -73.099
tors. eta vs tors. theta energy: -122.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1042.507216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.507216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.507216 (E_RNA)
where:
Base-Base interactions energy: -605.512
where: short stacking energy: -380.291
Base-Backbone interact. energy: -2.162
local terms energy: -434.833319
where:
bonds (distance) C4'-P energy: -92.752
bonds (distance) P-C4' energy: -93.059
flat angles C4'-P-C4' energy: -83.844
flat angles P-C4'-P energy: -56.099
tors. eta vs tors. theta energy: -109.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -929.252326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.252326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.252326 (E_RNA)
where:
Base-Base interactions energy: -535.272
where: short stacking energy: -315.305
Base-Backbone interact. energy: 0.331
local terms energy: -394.310415
where:
bonds (distance) C4'-P energy: -87.622
bonds (distance) P-C4' energy: -80.922
flat angles C4'-P-C4' energy: -95.896
flat angles P-C4'-P energy: -52.546
tors. eta vs tors. theta energy: -77.323
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: 231
Temperature: 1.050000
Total energy: -868.921274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.921274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.921274 (E_RNA)
where:
Base-Base interactions energy: -467.401
where: short stacking energy: -288.583
Base-Backbone interact. energy: -2.470
local terms energy: -399.049461
where:
bonds (distance) C4'-P energy: -84.513
bonds (distance) P-C4' energy: -92.262
flat angles C4'-P-C4' energy: -90.312
flat angles P-C4'-P energy: -63.584
tors. eta vs tors. theta energy: -68.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -734.480483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.480483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.480483 (E_RNA)
where:
Base-Base interactions energy: -403.586
where: short stacking energy: -241.055
Base-Backbone interact. energy: -0.810
local terms energy: -330.084441
where:
bonds (distance) C4'-P energy: -77.224
bonds (distance) P-C4' energy: -86.786
flat angles C4'-P-C4' energy: -71.787
flat angles P-C4'-P energy: -43.379
tors. eta vs tors. theta energy: -50.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -579.652341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.652341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.652341 (E_RNA)
where:
Base-Base interactions energy: -229.077
where: short stacking energy: -184.813
Base-Backbone interact. energy: 0.997
local terms energy: -351.573314
where:
bonds (distance) C4'-P energy: -96.353
bonds (distance) P-C4' energy: -80.505
flat angles C4'-P-C4' energy: -80.643
flat angles P-C4'-P energy: -58.546
tors. eta vs tors. theta energy: -35.526
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: 7, replica: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -468.175715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.175715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.175715 (E_RNA)
where:
Base-Base interactions energy: -166.802
where: short stacking energy: -149.090
Base-Backbone interact. energy: -1.557
local terms energy: -299.816598
where:
bonds (distance) C4'-P energy: -78.730
bonds (distance) P-C4' energy: -96.749
flat angles C4'-P-C4' energy: -61.023
flat angles P-C4'-P energy: -53.722
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: 8, replica: 7
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -398.080611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.080611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.080611 (E_RNA)
where:
Base-Base interactions energy: -127.258
where: short stacking energy: -123.136
Base-Backbone interact. energy: -1.222
local terms energy: -269.600726
where:
bonds (distance) C4'-P energy: -79.166
bonds (distance) P-C4' energy: -80.343
flat angles C4'-P-C4' energy: -65.202
flat angles P-C4'-P energy: -49.765
tors. eta vs tors. theta energy: 4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -371.570505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.570505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.570505 (E_RNA)
where:
Base-Base interactions energy: -118.967
where: short stacking energy: -99.201
Base-Backbone interact. energy: 0.664
local terms energy: -253.267243
where:
bonds (distance) C4'-P energy: -80.694
bonds (distance) P-C4' energy: -72.569
flat angles C4'-P-C4' energy: -61.967
flat angles P-C4'-P energy: -42.996
tors. eta vs tors. theta energy: 4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -353.959704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.959704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.959704 (E_RNA)
where:
Base-Base interactions energy: -110.779
where: short stacking energy: -90.692
Base-Backbone interact. energy: 0.670
local terms energy: -243.850581
where:
bonds (distance) C4'-P energy: -83.935
bonds (distance) P-C4' energy: -92.508
flat angles C4'-P-C4' energy: -44.484
flat angles P-C4'-P energy: -22.524
tors. eta vs tors. theta energy: -0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1248.890664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.890664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.890664 (E_RNA)
where:
Base-Base interactions energy: -760.787
where: short stacking energy: -419.552
Base-Backbone interact. energy: -2.947
local terms energy: -485.156886
where:
bonds (distance) C4'-P energy: -89.677
bonds (distance) P-C4' energy: -100.273
flat angles C4'-P-C4' energy: -107.828
flat angles P-C4'-P energy: -62.885
tors. eta vs tors. theta energy: -124.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1037.620145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.620145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.620145 (E_RNA)
where:
Base-Base interactions energy: -598.483
where: short stacking energy: -352.385
Base-Backbone interact. energy: -1.912
local terms energy: -437.224846
where:
bonds (distance) C4'-P energy: -84.293
bonds (distance) P-C4' energy: -97.104
flat angles C4'-P-C4' energy: -92.718
flat angles P-C4'-P energy: -60.387
tors. eta vs tors. theta energy: -102.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -913.561476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.561476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.561476 (E_RNA)
where:
Base-Base interactions energy: -499.220
where: short stacking energy: -309.439
Base-Backbone interact. energy: -3.054
local terms energy: -411.287728
where:
bonds (distance) C4'-P energy: -88.986
bonds (distance) P-C4' energy: -98.150
flat angles C4'-P-C4' energy: -92.444
flat angles P-C4'-P energy: -60.656
tors. eta vs tors. theta energy: -71.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -884.800313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.800313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.800313 (E_RNA)
where:
Base-Base interactions energy: -478.214
where: short stacking energy: -299.435
Base-Backbone interact. energy: -2.032
local terms energy: -404.553899
where:
bonds (distance) C4'-P energy: -90.026
bonds (distance) P-C4' energy: -84.616
flat angles C4'-P-C4' energy: -90.404
flat angles P-C4'-P energy: -63.759
tors. eta vs tors. theta energy: -75.749
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: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -717.537350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.537350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.537350 (E_RNA)
where:
Base-Base interactions energy: -358.430
where: short stacking energy: -220.279
Base-Backbone interact. energy: -1.444
local terms energy: -357.663440
where:
bonds (distance) C4'-P energy: -75.236
bonds (distance) P-C4' energy: -90.414
flat angles C4'-P-C4' energy: -90.407
flat angles P-C4'-P energy: -50.531
tors. eta vs tors. theta energy: -51.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -559.870689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.870689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.870689 (E_RNA)
where:
Base-Base interactions energy: -231.374
where: short stacking energy: -162.276
Base-Backbone interact. energy: 2.510
local terms energy: -331.006680
where:
bonds (distance) C4'-P energy: -79.446
bonds (distance) P-C4' energy: -90.518
flat angles C4'-P-C4' energy: -77.584
flat angles P-C4'-P energy: -70.834
tors. eta vs tors. theta energy: -12.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -440.577464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.577464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.577464 (E_RNA)
where:
Base-Base interactions energy: -155.295
where: short stacking energy: -121.096
Base-Backbone interact. energy: 0.464
local terms energy: -285.746147
where:
bonds (distance) C4'-P energy: -80.052
bonds (distance) P-C4' energy: -83.534
flat angles C4'-P-C4' energy: -79.026
flat angles P-C4'-P energy: -52.548
tors. eta vs tors. theta energy: 9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -419.714945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.714945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.714945 (E_RNA)
where:
Base-Base interactions energy: -175.119
where: short stacking energy: -123.692
Base-Backbone interact. energy: 0.978
local terms energy: -245.574038
where:
bonds (distance) C4'-P energy: -69.922
bonds (distance) P-C4' energy: -84.174
flat angles C4'-P-C4' energy: -70.970
flat angles P-C4'-P energy: -29.259
tors. eta vs tors. theta energy: 8.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -360.590504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.590504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.590504 (E_RNA)
where:
Base-Base interactions energy: -131.295
where: short stacking energy: -111.372
Base-Backbone interact. energy: 1.395
local terms energy: -230.689912
where:
bonds (distance) C4'-P energy: -75.639
bonds (distance) P-C4' energy: -71.462
flat angles C4'-P-C4' energy: -53.976
flat angles P-C4'-P energy: -35.412
tors. eta vs tors. theta energy: 5.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -371.754121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.754121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.754121 (E_RNA)
where:
Base-Base interactions energy: -112.863
where: short stacking energy: -101.671
Base-Backbone interact. energy: 2.390
local terms energy: -261.280919
where:
bonds (distance) C4'-P energy: -63.993
bonds (distance) P-C4' energy: -81.480
flat angles C4'-P-C4' energy: -74.855
flat angles P-C4'-P energy: -47.532
tors. eta vs tors. theta energy: 6.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1196.877386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.877386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.877386 (E_RNA)
where:
Base-Base interactions energy: -721.122
where: short stacking energy: -416.574
Base-Backbone interact. energy: -3.299
local terms energy: -472.456605
where:
bonds (distance) C4'-P energy: -84.335
bonds (distance) P-C4' energy: -93.281
flat angles C4'-P-C4' energy: -100.197
flat angles P-C4'-P energy: -74.646
tors. eta vs tors. theta energy: -119.998
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: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1062.503470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.503470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.503470 (E_RNA)
where:
Base-Base interactions energy: -612.087
where: short stacking energy: -358.697
Base-Backbone interact. energy: -0.454
local terms energy: -449.962455
where:
bonds (distance) C4'-P energy: -81.634
bonds (distance) P-C4' energy: -94.138
flat angles C4'-P-C4' energy: -100.413
flat angles P-C4'-P energy: -58.693
tors. eta vs tors. theta energy: -115.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -917.505210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.505210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.505210 (E_RNA)
where:
Base-Base interactions energy: -521.050
where: short stacking energy: -277.862
Base-Backbone interact. energy: -3.177
local terms energy: -393.278088
where:
bonds (distance) C4'-P energy: -89.435
bonds (distance) P-C4' energy: -91.339
flat angles C4'-P-C4' energy: -89.802
flat angles P-C4'-P energy: -60.948
tors. eta vs tors. theta energy: -61.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -858.009469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.009469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.009469 (E_RNA)
where:
Base-Base interactions energy: -455.257
where: short stacking energy: -272.228
Base-Backbone interact. energy: 0.927
local terms energy: -403.679518
where:
bonds (distance) C4'-P energy: -79.578
bonds (distance) P-C4' energy: -95.878
flat angles C4'-P-C4' energy: -90.367
flat angles P-C4'-P energy: -61.249
tors. eta vs tors. theta energy: -76.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -693.976787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.976787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.976787 (E_RNA)
where:
Base-Base interactions energy: -320.745
where: short stacking energy: -224.551
Base-Backbone interact. energy: -1.451
local terms energy: -371.779932
where:
bonds (distance) C4'-P energy: -89.976
bonds (distance) P-C4' energy: -89.915
flat angles C4'-P-C4' energy: -95.250
flat angles P-C4'-P energy: -46.244
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: 6, replica: 1
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -574.339471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.339471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.339471 (E_RNA)
where:
Base-Base interactions energy: -267.347
where: short stacking energy: -179.820
Base-Backbone interact. energy: -0.566
local terms energy: -306.426600
where:
bonds (distance) C4'-P energy: -83.632
bonds (distance) P-C4' energy: -79.740
flat angles C4'-P-C4' energy: -74.250
flat angles P-C4'-P energy: -43.579
tors. eta vs tors. theta energy: -25.226
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: 7, replica: 7
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -448.733052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.733052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.733052 (E_RNA)
where:
Base-Base interactions energy: -162.238
where: short stacking energy: -146.172
Base-Backbone interact. energy: 0.432
local terms energy: -286.926478
where:
bonds (distance) C4'-P energy: -76.347
bonds (distance) P-C4' energy: -92.148
flat angles C4'-P-C4' energy: -78.429
flat angles P-C4'-P energy: -40.397
tors. eta vs tors. theta energy: 0.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -422.421125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.421125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.421125 (E_RNA)
where:
Base-Base interactions energy: -117.098
where: short stacking energy: -103.067
Base-Backbone interact. energy: -1.288
local terms energy: -304.035182
where:
bonds (distance) C4'-P energy: -80.067
bonds (distance) P-C4' energy: -89.022
flat angles C4'-P-C4' energy: -86.841
flat angles P-C4'-P energy: -47.623
tors. eta vs tors. theta energy: -0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -379.412527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.412527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.412527 (E_RNA)
where:
Base-Base interactions energy: -108.589
where: short stacking energy: -96.327
Base-Backbone interact. energy: 0.398
local terms energy: -271.221156
where:
bonds (distance) C4'-P energy: -59.387
bonds (distance) P-C4' energy: -100.634
flat angles C4'-P-C4' energy: -73.906
flat angles P-C4'-P energy: -57.280
tors. eta vs tors. theta energy: 19.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -363.060547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.060547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.060547 (E_RNA)
where:
Base-Base interactions energy: -129.043
where: short stacking energy: -98.948
Base-Backbone interact. energy: -1.026
local terms energy: -232.991459
where:
bonds (distance) C4'-P energy: -59.345
bonds (distance) P-C4' energy: -78.002
flat angles C4'-P-C4' energy: -74.197
flat angles P-C4'-P energy: -34.283
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1203.949187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.949187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.949187 (E_RNA)
where:
Base-Base interactions energy: -717.612
where: short stacking energy: -426.566
Base-Backbone interact. energy: -1.167
local terms energy: -485.170734
where:
bonds (distance) C4'-P energy: -80.946
bonds (distance) P-C4' energy: -91.330
flat angles C4'-P-C4' energy: -112.532
flat angles P-C4'-P energy: -72.468
tors. eta vs tors. theta energy: -127.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1091.905684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.905684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.905684 (E_RNA)
where:
Base-Base interactions energy: -622.604
where: short stacking energy: -367.288
Base-Backbone interact. energy: -2.545
local terms energy: -466.756444
where:
bonds (distance) C4'-P energy: -92.918
bonds (distance) P-C4' energy: -104.908
flat angles C4'-P-C4' energy: -98.527
flat angles P-C4'-P energy: -63.284
tors. eta vs tors. theta energy: -107.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -967.914278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.914278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.914278 (E_RNA)
where:
Base-Base interactions energy: -536.558
where: short stacking energy: -324.868
Base-Backbone interact. energy: -0.209
local terms energy: -431.147917
where:
bonds (distance) C4'-P energy: -91.450
bonds (distance) P-C4' energy: -99.675
flat angles C4'-P-C4' energy: -94.815
flat angles P-C4'-P energy: -62.097
tors. eta vs tors. theta energy: -83.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -837.384778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.384778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.384778 (E_RNA)
where:
Base-Base interactions energy: -433.012
where: short stacking energy: -274.896
Base-Backbone interact. energy: -1.104
local terms energy: -403.269344
where:
bonds (distance) C4'-P energy: -84.223
bonds (distance) P-C4' energy: -96.231
flat angles C4'-P-C4' energy: -97.423
flat angles P-C4'-P energy: -52.574
tors. eta vs tors. theta energy: -72.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -682.350965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.350965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.350965 (E_RNA)
where:
Base-Base interactions energy: -344.017
where: short stacking energy: -229.246
Base-Backbone interact. energy: 7.954
local terms energy: -346.288559
where:
bonds (distance) C4'-P energy: -74.737
bonds (distance) P-C4' energy: -91.369
flat angles C4'-P-C4' energy: -69.566
flat angles P-C4'-P energy: -57.932
tors. eta vs tors. theta energy: -52.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -517.156653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.156653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.156653 (E_RNA)
where:
Base-Base interactions energy: -210.297
where: short stacking energy: -161.537
Base-Backbone interact. energy: -0.214
local terms energy: -306.645664
where:
bonds (distance) C4'-P energy: -85.875
bonds (distance) P-C4' energy: -84.348
flat angles C4'-P-C4' energy: -78.321
flat angles P-C4'-P energy: -46.477
tors. eta vs tors. theta energy: -11.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -491.675202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.675202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.675202 (E_RNA)
where:
Base-Base interactions energy: -203.739
where: short stacking energy: -152.253
Base-Backbone interact. energy: -1.510
local terms energy: -286.426331
where:
bonds (distance) C4'-P energy: -68.824
bonds (distance) P-C4' energy: -70.673
flat angles C4'-P-C4' energy: -86.347
flat angles P-C4'-P energy: -49.448
tors. eta vs tors. theta energy: -11.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -391.867573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.867573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.867573 (E_RNA)
where:
Base-Base interactions energy: -129.986
where: short stacking energy: -112.906
Base-Backbone interact. energy: 3.183
local terms energy: -265.064632
where:
bonds (distance) C4'-P energy: -80.163
bonds (distance) P-C4' energy: -79.733
flat angles C4'-P-C4' energy: -74.846
flat angles P-C4'-P energy: -45.796
tors. eta vs tors. theta energy: 15.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -371.875797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.875797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.875797 (E_RNA)
where:
Base-Base interactions energy: -136.873
where: short stacking energy: -116.806
Base-Backbone interact. energy: -0.834
local terms energy: -234.168600
where:
bonds (distance) C4'-P energy: -79.481
bonds (distance) P-C4' energy: -76.800
flat angles C4'-P-C4' energy: -57.775
flat angles P-C4'-P energy: -37.083
tors. eta vs tors. theta energy: 16.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -360.363016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.363016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.363016 (E_RNA)
where:
Base-Base interactions energy: -103.322
where: short stacking energy: -93.905
Base-Backbone interact. energy: 1.354
local terms energy: -258.394630
where:
bonds (distance) C4'-P energy: -81.348
bonds (distance) P-C4' energy: -77.124
flat angles C4'-P-C4' energy: -71.401
flat angles P-C4'-P energy: -37.264
tors. eta vs tors. theta energy: 8.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1256.150620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.150620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.150620 (E_RNA)
where:
Base-Base interactions energy: -762.328
where: short stacking energy: -429.293
Base-Backbone interact. energy: 1.206
local terms energy: -495.028920
where:
bonds (distance) C4'-P energy: -89.447
bonds (distance) P-C4' energy: -96.959
flat angles C4'-P-C4' energy: -111.287
flat angles P-C4'-P energy: -73.942
tors. eta vs tors. theta energy: -123.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1100.258840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.258840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.258840 (E_RNA)
where:
Base-Base interactions energy: -646.919
where: short stacking energy: -381.740
Base-Backbone interact. energy: -1.431
local terms energy: -451.908537
where:
bonds (distance) C4'-P energy: -88.262
bonds (distance) P-C4' energy: -96.556
flat angles C4'-P-C4' energy: -94.636
flat angles P-C4'-P energy: -61.405
tors. eta vs tors. theta energy: -111.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -977.794731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.794731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.794731 (E_RNA)
where:
Base-Base interactions energy: -562.243
where: short stacking energy: -325.571
Base-Backbone interact. energy: -1.386
local terms energy: -414.166011
where:
bonds (distance) C4'-P energy: -93.416
bonds (distance) P-C4' energy: -98.857
flat angles C4'-P-C4' energy: -93.421
flat angles P-C4'-P energy: -55.664
tors. eta vs tors. theta energy: -72.808
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: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -842.443839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.443839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.443839 (E_RNA)
where:
Base-Base interactions energy: -460.358
where: short stacking energy: -280.882
Base-Backbone interact. energy: 3.291
local terms energy: -385.377166
where:
bonds (distance) C4'-P energy: -87.230
bonds (distance) P-C4' energy: -103.664
flat angles C4'-P-C4' energy: -77.135
flat angles P-C4'-P energy: -49.978
tors. eta vs tors. theta energy: -67.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -660.934972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.934972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.934972 (E_RNA)
where:
Base-Base interactions energy: -321.782
where: short stacking energy: -226.231
Base-Backbone interact. energy: -1.960
local terms energy: -337.192337
where:
bonds (distance) C4'-P energy: -76.159
bonds (distance) P-C4' energy: -78.433
flat angles C4'-P-C4' energy: -89.322
flat angles P-C4'-P energy: -55.127
tors. eta vs tors. theta energy: -38.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -530.130798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.130798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.130798 (E_RNA)
where:
Base-Base interactions energy: -200.101
where: short stacking energy: -153.310
Base-Backbone interact. energy: -1.283
local terms energy: -328.747284
where:
bonds (distance) C4'-P energy: -100.018
bonds (distance) P-C4' energy: -94.866
flat angles C4'-P-C4' energy: -74.273
flat angles P-C4'-P energy: -47.726
tors. eta vs tors. theta energy: -11.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -527.863515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.863515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.863515 (E_RNA)
where:
Base-Base interactions energy: -228.823
where: short stacking energy: -151.845
Base-Backbone interact. energy: -1.385
local terms energy: -297.654915
where:
bonds (distance) C4'-P energy: -73.036
bonds (distance) P-C4' energy: -78.295
flat angles C4'-P-C4' energy: -85.522
flat angles P-C4'-P energy: -51.569
tors. eta vs tors. theta energy: -9.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -407.757131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.757131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.757131 (E_RNA)
where:
Base-Base interactions energy: -156.799
where: short stacking energy: -145.105
Base-Backbone interact. energy: 3.668
local terms energy: -254.626252
where:
bonds (distance) C4'-P energy: -58.926
bonds (distance) P-C4' energy: -79.998
flat angles C4'-P-C4' energy: -69.426
flat angles P-C4'-P energy: -46.828
tors. eta vs tors. theta energy: 0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -351.050563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.050563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.050563 (E_RNA)
where:
Base-Base interactions energy: -94.201
where: short stacking energy: -86.165
Base-Backbone interact. energy: -3.342
local terms energy: -253.508402
where:
bonds (distance) C4'-P energy: -59.160
bonds (distance) P-C4' energy: -94.949
flat angles C4'-P-C4' energy: -61.121
flat angles P-C4'-P energy: -49.176
tors. eta vs tors. theta energy: 10.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -355.885397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.885397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.885397 (E_RNA)
where:
Base-Base interactions energy: -132.804
where: short stacking energy: -103.201
Base-Backbone interact. energy: 0.673
local terms energy: -223.753796
where:
bonds (distance) C4'-P energy: -67.284
bonds (distance) P-C4' energy: -75.236
flat angles C4'-P-C4' energy: -53.925
flat angles P-C4'-P energy: -40.650
tors. eta vs tors. theta energy: 13.340
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1262.176569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.176569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.176569 (E_RNA)
where:
Base-Base interactions energy: -759.904
where: short stacking energy: -453.450
Base-Backbone interact. energy: -0.583
local terms energy: -501.689204
where:
bonds (distance) C4'-P energy: -104.830
bonds (distance) P-C4' energy: -94.363
flat angles C4'-P-C4' energy: -101.984
flat angles P-C4'-P energy: -77.451
tors. eta vs tors. theta energy: -123.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1123.471010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.471010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.471010 (E_RNA)
where:
Base-Base interactions energy: -648.617
where: short stacking energy: -394.140
Base-Backbone interact. energy: -1.354
local terms energy: -473.500254
where:
bonds (distance) C4'-P energy: -96.540
bonds (distance) P-C4' energy: -106.870
flat angles C4'-P-C4' energy: -92.658
flat angles P-C4'-P energy: -67.176
tors. eta vs tors. theta energy: -110.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -941.251200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.251200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.251200 (E_RNA)
where:
Base-Base interactions energy: -531.093
where: short stacking energy: -301.968
Base-Backbone interact. energy: -1.524
local terms energy: -408.633917
where:
bonds (distance) C4'-P energy: -90.567
bonds (distance) P-C4' energy: -97.298
flat angles C4'-P-C4' energy: -88.185
flat angles P-C4'-P energy: -52.399
tors. eta vs tors. theta energy: -80.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -841.396613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.396613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.396613 (E_RNA)
where:
Base-Base interactions energy: -458.796
where: short stacking energy: -275.644
Base-Backbone interact. energy: -1.174
local terms energy: -381.426774
where:
bonds (distance) C4'-P energy: -77.858
bonds (distance) P-C4' energy: -84.525
flat angles C4'-P-C4' energy: -91.663
flat angles P-C4'-P energy: -57.396
tors. eta vs tors. theta energy: -69.984
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: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -654.082237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.082237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.082237 (E_RNA)
where:
Base-Base interactions energy: -330.234
where: short stacking energy: -204.615
Base-Backbone interact. energy: 0.233
local terms energy: -324.081429
where:
bonds (distance) C4'-P energy: -87.577
bonds (distance) P-C4' energy: -83.293
flat angles C4'-P-C4' energy: -84.264
flat angles P-C4'-P energy: -41.536
tors. eta vs tors. theta energy: -27.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -530.175157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.175157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.175157 (E_RNA)
where:
Base-Base interactions energy: -221.894
where: short stacking energy: -170.881
Base-Backbone interact. energy: 0.846
local terms energy: -309.126755
where:
bonds (distance) C4'-P energy: -78.859
bonds (distance) P-C4' energy: -79.845
flat angles C4'-P-C4' energy: -78.940
flat angles P-C4'-P energy: -57.298
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -490.700752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.700752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.700752 (E_RNA)
where:
Base-Base interactions energy: -201.828
where: short stacking energy: -141.993
Base-Backbone interact. energy: -1.198
local terms energy: -287.674915
where:
bonds (distance) C4'-P energy: -72.622
bonds (distance) P-C4' energy: -81.237
flat angles C4'-P-C4' energy: -80.020
flat angles P-C4'-P energy: -33.629
tors. eta vs tors. theta energy: -20.166
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: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -412.584702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.584702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.584702 (E_RNA)
where:
Base-Base interactions energy: -138.112
where: short stacking energy: -121.427
Base-Backbone interact. energy: -1.364
local terms energy: -273.108763
where:
bonds (distance) C4'-P energy: -86.683
bonds (distance) P-C4' energy: -82.690
flat angles C4'-P-C4' energy: -62.904
flat angles P-C4'-P energy: -43.066
tors. eta vs tors. theta energy: 2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -380.469191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.469191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.469191 (E_RNA)
where:
Base-Base interactions energy: -126.280
where: short stacking energy: -121.728
Base-Backbone interact. energy: 0.030
local terms energy: -254.219080
where:
bonds (distance) C4'-P energy: -69.774
bonds (distance) P-C4' energy: -84.727
flat angles C4'-P-C4' energy: -53.323
flat angles P-C4'-P energy: -49.572
tors. eta vs tors. theta energy: 3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -375.378697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.378697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.378697 (E_RNA)
where:
Base-Base interactions energy: -107.669
where: short stacking energy: -83.631
Base-Backbone interact. energy: 3.857
local terms energy: -271.566112
where:
bonds (distance) C4'-P energy: -79.764
bonds (distance) P-C4' energy: -74.528
flat angles C4'-P-C4' energy: -76.836
flat angles P-C4'-P energy: -46.353
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1280.216399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.216399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.216399 (E_RNA)
where:
Base-Base interactions energy: -784.177
where: short stacking energy: -448.316
Base-Backbone interact. energy: -1.043
local terms energy: -494.996901
where:
bonds (distance) C4'-P energy: -89.666
bonds (distance) P-C4' energy: -88.227
flat angles C4'-P-C4' energy: -103.316
flat angles P-C4'-P energy: -75.832
tors. eta vs tors. theta energy: -137.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1118.502670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.502670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.502670 (E_RNA)
where:
Base-Base interactions energy: -643.283
where: short stacking energy: -404.232
Base-Backbone interact. energy: 1.374
local terms energy: -476.592935
where:
bonds (distance) C4'-P energy: -97.224
bonds (distance) P-C4' energy: -88.787
flat angles C4'-P-C4' energy: -108.425
flat angles P-C4'-P energy: -70.160
tors. eta vs tors. theta energy: -111.997
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: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -954.028731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.028731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.028731 (E_RNA)
where:
Base-Base interactions energy: -536.880
where: short stacking energy: -310.422
Base-Backbone interact. energy: -3.107
local terms energy: -414.041561
where:
bonds (distance) C4'-P energy: -83.193
bonds (distance) P-C4' energy: -94.463
flat angles C4'-P-C4' energy: -94.753
flat angles P-C4'-P energy: -57.448
tors. eta vs tors. theta energy: -84.185
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: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -832.253001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.253001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.253001 (E_RNA)
where:
Base-Base interactions energy: -435.954
where: short stacking energy: -245.717
Base-Backbone interact. energy: -1.416
local terms energy: -394.883328
where:
bonds (distance) C4'-P energy: -88.887
bonds (distance) P-C4' energy: -87.916
flat angles C4'-P-C4' energy: -92.542
flat angles P-C4'-P energy: -57.800
tors. eta vs tors. theta energy: -67.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -651.255852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.255852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.255852 (E_RNA)
where:
Base-Base interactions energy: -322.285
where: short stacking energy: -220.879
Base-Backbone interact. energy: -1.191
local terms energy: -327.779566
where:
bonds (distance) C4'-P energy: -70.407
bonds (distance) P-C4' energy: -92.830
flat angles C4'-P-C4' energy: -82.313
flat angles P-C4'-P energy: -55.253
tors. eta vs tors. theta energy: -26.977
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: 6, replica: 1
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -546.839816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.839816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.839816 (E_RNA)
where:
Base-Base interactions energy: -232.146
where: short stacking energy: -151.173
Base-Backbone interact. energy: -1.263
local terms energy: -313.430133
where:
bonds (distance) C4'-P energy: -84.716
bonds (distance) P-C4' energy: -88.894
flat angles C4'-P-C4' energy: -71.509
flat angles P-C4'-P energy: -54.917
tors. eta vs tors. theta energy: -13.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -503.789076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.789076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.789076 (E_RNA)
where:
Base-Base interactions energy: -206.093
where: short stacking energy: -149.840
Base-Backbone interact. energy: 0.875
local terms energy: -298.571130
where:
bonds (distance) C4'-P energy: -83.088
bonds (distance) P-C4' energy: -87.523
flat angles C4'-P-C4' energy: -75.333
flat angles P-C4'-P energy: -41.895
tors. eta vs tors. theta energy: -10.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -418.926108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.926108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.926108 (E_RNA)
where:
Base-Base interactions energy: -129.589
where: short stacking energy: -125.547
Base-Backbone interact. energy: -0.863
local terms energy: -288.474162
where:
bonds (distance) C4'-P energy: -75.998
bonds (distance) P-C4' energy: -77.810
flat angles C4'-P-C4' energy: -83.822
flat angles P-C4'-P energy: -41.815
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: 9, replica: 5
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -397.178363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.178363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.178363 (E_RNA)
where:
Base-Base interactions energy: -128.756
where: short stacking energy: -104.078
Base-Backbone interact. energy: 2.889
local terms energy: -271.311232
where:
bonds (distance) C4'-P energy: -78.807
bonds (distance) P-C4' energy: -83.216
flat angles C4'-P-C4' energy: -67.557
flat angles P-C4'-P energy: -46.468
tors. eta vs tors. theta energy: 4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -353.380774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.380774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.380774 (E_RNA)
where:
Base-Base interactions energy: -114.073
where: short stacking energy: -95.916
Base-Backbone interact. energy: -0.503
local terms energy: -238.805025
where:
bonds (distance) C4'-P energy: -80.442
bonds (distance) P-C4' energy: -66.268
flat angles C4'-P-C4' energy: -61.175
flat angles P-C4'-P energy: -46.305
tors. eta vs tors. theta energy: 15.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1234.315952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.315952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.315952 (E_RNA)
where:
Base-Base interactions energy: -755.323
where: short stacking energy: -451.860
Base-Backbone interact. energy: -1.558
local terms energy: -477.435384
where:
bonds (distance) C4'-P energy: -96.841
bonds (distance) P-C4' energy: -87.065
flat angles C4'-P-C4' energy: -97.663
flat angles P-C4'-P energy: -64.846
tors. eta vs tors. theta energy: -131.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1099.968949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.968949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.968949 (E_RNA)
where:
Base-Base interactions energy: -631.128
where: short stacking energy: -385.064
Base-Backbone interact. energy: 1.913
local terms energy: -470.753408
where:
bonds (distance) C4'-P energy: -91.046
bonds (distance) P-C4' energy: -105.423
flat angles C4'-P-C4' energy: -102.661
flat angles P-C4'-P energy: -59.660
tors. eta vs tors. theta energy: -111.963
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: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -968.681369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.681369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.681369 (E_RNA)
where:
Base-Base interactions energy: -554.856
where: short stacking energy: -297.773
Base-Backbone interact. energy: -2.427
local terms energy: -411.399003
where:
bonds (distance) C4'-P energy: -89.409
bonds (distance) P-C4' energy: -92.156
flat angles C4'-P-C4' energy: -91.639
flat angles P-C4'-P energy: -55.922
tors. eta vs tors. theta energy: -82.274
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: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -822.976924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.976924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.976924 (E_RNA)
where:
Base-Base interactions energy: -425.177
where: short stacking energy: -265.634
Base-Backbone interact. energy: 0.800
local terms energy: -398.600104
where:
bonds (distance) C4'-P energy: -82.977
bonds (distance) P-C4' energy: -91.115
flat angles C4'-P-C4' energy: -93.914
flat angles P-C4'-P energy: -66.673
tors. eta vs tors. theta energy: -63.921
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: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -660.958972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.958972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.958972 (E_RNA)
where:
Base-Base interactions energy: -321.850
where: short stacking energy: -219.155
Base-Backbone interact. energy: -1.256
local terms energy: -337.853032
where:
bonds (distance) C4'-P energy: -83.238
bonds (distance) P-C4' energy: -79.233
flat angles C4'-P-C4' energy: -86.699
flat angles P-C4'-P energy: -47.491
tors. eta vs tors. theta energy: -41.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -570.347953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.347953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.347953 (E_RNA)
where:
Base-Base interactions energy: -240.832
where: short stacking energy: -178.577
Base-Backbone interact. energy: 3.085
local terms energy: -332.600143
where:
bonds (distance) C4'-P energy: -76.824
bonds (distance) P-C4' energy: -91.973
flat angles C4'-P-C4' energy: -86.415
flat angles P-C4'-P energy: -58.729
tors. eta vs tors. theta energy: -18.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -515.769158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.769158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.769158 (E_RNA)
where:
Base-Base interactions energy: -198.297
where: short stacking energy: -155.587
Base-Backbone interact. energy: 1.570
local terms energy: -319.041777
where:
bonds (distance) C4'-P energy: -73.972
bonds (distance) P-C4' energy: -94.618
flat angles C4'-P-C4' energy: -74.640
flat angles P-C4'-P energy: -50.091
tors. eta vs tors. theta energy: -25.721
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: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -406.709800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.709800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.709800 (E_RNA)
where:
Base-Base interactions energy: -170.339
where: short stacking energy: -147.077
Base-Backbone interact. energy: 1.114
local terms energy: -237.484469
where:
bonds (distance) C4'-P energy: -75.632
bonds (distance) P-C4' energy: -75.846
flat angles C4'-P-C4' energy: -56.190
flat angles P-C4'-P energy: -18.195
tors. eta vs tors. theta energy: -11.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -393.612174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.612174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.612174 (E_RNA)
where:
Base-Base interactions energy: -125.510
where: short stacking energy: -109.044
Base-Backbone interact. energy: -0.889
local terms energy: -267.212495
where:
bonds (distance) C4'-P energy: -74.958
bonds (distance) P-C4' energy: -73.510
flat angles C4'-P-C4' energy: -76.427
flat angles P-C4'-P energy: -54.681
tors. eta vs tors. theta energy: 12.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -350.101929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.101929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.101929 (E_RNA)
where:
Base-Base interactions energy: -117.935
where: short stacking energy: -91.383
Base-Backbone interact. energy: 0.213
local terms energy: -232.379912
where:
bonds (distance) C4'-P energy: -61.232
bonds (distance) P-C4' energy: -79.662
flat angles C4'-P-C4' energy: -58.419
flat angles P-C4'-P energy: -38.199
tors. eta vs tors. theta energy: 5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1239.692881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.692881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.692881 (E_RNA)
where:
Base-Base interactions energy: -769.663
where: short stacking energy: -414.971
Base-Backbone interact. energy: -2.315
local terms energy: -467.714850
where:
bonds (distance) C4'-P energy: -85.883
bonds (distance) P-C4' energy: -88.929
flat angles C4'-P-C4' energy: -98.739
flat angles P-C4'-P energy: -72.728
tors. eta vs tors. theta energy: -121.437
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: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1121.040549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.040549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.040549 (E_RNA)
where:
Base-Base interactions energy: -651.363
where: short stacking energy: -391.791
Base-Backbone interact. energy: 1.818
local terms energy: -471.495745
where:
bonds (distance) C4'-P energy: -92.791
bonds (distance) P-C4' energy: -94.130
flat angles C4'-P-C4' energy: -104.525
flat angles P-C4'-P energy: -68.288
tors. eta vs tors. theta energy: -111.762
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: 239
Temperature: 1.000000
Total energy: -912.276224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.276224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.276224 (E_RNA)
where:
Base-Base interactions energy: -511.414
where: short stacking energy: -301.011
Base-Backbone interact. energy: -2.525
local terms energy: -398.337380
where:
bonds (distance) C4'-P energy: -84.517
bonds (distance) P-C4' energy: -92.650
flat angles C4'-P-C4' energy: -91.556
flat angles P-C4'-P energy: -48.277
tors. eta vs tors. theta energy: -81.338
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: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -840.835938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.835938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.835938 (E_RNA)
where:
Base-Base interactions energy: -448.297
where: short stacking energy: -257.614
Base-Backbone interact. energy: -1.034
local terms energy: -391.505549
where:
bonds (distance) C4'-P energy: -87.123
bonds (distance) P-C4' energy: -88.259
flat angles C4'-P-C4' energy: -98.143
flat angles P-C4'-P energy: -62.652
tors. eta vs tors. theta energy: -55.328
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: 5, replica: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -662.612475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.612475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.612475 (E_RNA)
where:
Base-Base interactions energy: -330.765
where: short stacking energy: -215.820
Base-Backbone interact. energy: 0.351
local terms energy: -332.198466
where:
bonds (distance) C4'-P energy: -82.754
bonds (distance) P-C4' energy: -87.834
flat angles C4'-P-C4' energy: -79.956
flat angles P-C4'-P energy: -51.124
tors. eta vs tors. theta energy: -30.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -532.205641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.205641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.205641 (E_RNA)
where:
Base-Base interactions energy: -214.110
where: short stacking energy: -184.570
Base-Backbone interact. energy: -0.371
local terms energy: -317.724427
where:
bonds (distance) C4'-P energy: -80.693
bonds (distance) P-C4' energy: -87.208
flat angles C4'-P-C4' energy: -78.721
flat angles P-C4'-P energy: -49.317
tors. eta vs tors. theta energy: -21.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -520.505741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.505741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.505741 (E_RNA)
where:
Base-Base interactions energy: -215.633
where: short stacking energy: -169.685
Base-Backbone interact. energy: -0.681
local terms energy: -304.191865
where:
bonds (distance) C4'-P energy: -84.746
bonds (distance) P-C4' energy: -83.073
flat angles C4'-P-C4' energy: -90.790
flat angles P-C4'-P energy: -27.682
tors. eta vs tors. theta energy: -17.901
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: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -435.585939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.585939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.585939 (E_RNA)
where:
Base-Base interactions energy: -157.718
where: short stacking energy: -146.390
Base-Backbone interact. energy: -0.958
local terms energy: -276.910456
where:
bonds (distance) C4'-P energy: -80.572
bonds (distance) P-C4' energy: -68.028
flat angles C4'-P-C4' energy: -74.259
flat angles P-C4'-P energy: -43.357
tors. eta vs tors. theta energy: -10.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -376.710110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.710110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.710110 (E_RNA)
where:
Base-Base interactions energy: -118.812
where: short stacking energy: -93.532
Base-Backbone interact. energy: -1.309
local terms energy: -256.589138
where:
bonds (distance) C4'-P energy: -72.707
bonds (distance) P-C4' energy: -87.718
flat angles C4'-P-C4' energy: -63.353
flat angles P-C4'-P energy: -33.747
tors. eta vs tors. theta energy: 0.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -366.764693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.764693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.764693 (E_RNA)
where:
Base-Base interactions energy: -130.621
where: short stacking energy: -101.459
Base-Backbone interact. energy: 4.628
local terms energy: -240.771678
where:
bonds (distance) C4'-P energy: -80.969
bonds (distance) P-C4' energy: -77.297
flat angles C4'-P-C4' energy: -66.503
flat angles P-C4'-P energy: -29.755
tors. eta vs tors. theta energy: 13.753
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1239.388635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.388635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.388635 (E_RNA)
where:
Base-Base interactions energy: -751.568
where: short stacking energy: -438.515
Base-Backbone interact. energy: -3.108
local terms energy: -484.712180
where:
bonds (distance) C4'-P energy: -89.455
bonds (distance) P-C4' energy: -97.235
flat angles C4'-P-C4' energy: -108.268
flat angles P-C4'-P energy: -60.463
tors. eta vs tors. theta energy: -129.291
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: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1108.020671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.020671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.020671 (E_RNA)
where:
Base-Base interactions energy: -637.032
where: short stacking energy: -390.618
Base-Backbone interact. energy: -1.169
local terms energy: -469.819591
where:
bonds (distance) C4'-P energy: -88.846
bonds (distance) P-C4' energy: -92.199
flat angles C4'-P-C4' energy: -106.102
flat angles P-C4'-P energy: -56.653
tors. eta vs tors. theta energy: -126.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -928.712266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.712266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.712266 (E_RNA)
where:
Base-Base interactions energy: -536.431
where: short stacking energy: -309.672
Base-Backbone interact. energy: -1.709
local terms energy: -390.572179
where:
bonds (distance) C4'-P energy: -85.088
bonds (distance) P-C4' energy: -82.654
flat angles C4'-P-C4' energy: -86.649
flat angles P-C4'-P energy: -64.695
tors. eta vs tors. theta energy: -71.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -834.204327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.204327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.204327 (E_RNA)
where:
Base-Base interactions energy: -459.404
where: short stacking energy: -251.600
Base-Backbone interact. energy: 0.406
local terms energy: -375.206704
where:
bonds (distance) C4'-P energy: -83.323
bonds (distance) P-C4' energy: -90.151
flat angles C4'-P-C4' energy: -89.788
flat angles P-C4'-P energy: -60.098
tors. eta vs tors. theta energy: -51.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -696.381962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.381962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.381962 (E_RNA)
where:
Base-Base interactions energy: -340.614
where: short stacking energy: -226.886
Base-Backbone interact. energy: -0.575
local terms energy: -355.192081
where:
bonds (distance) C4'-P energy: -74.932
bonds (distance) P-C4' energy: -77.350
flat angles C4'-P-C4' energy: -81.796
flat angles P-C4'-P energy: -66.355
tors. eta vs tors. theta energy: -54.760
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: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -536.335414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.335414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.335414 (E_RNA)
where:
Base-Base interactions energy: -226.215
where: short stacking energy: -180.994
Base-Backbone interact. energy: -0.011
local terms energy: -310.109185
where:
bonds (distance) C4'-P energy: -78.561
bonds (distance) P-C4' energy: -80.993
flat angles C4'-P-C4' energy: -83.687
flat angles P-C4'-P energy: -46.822
tors. eta vs tors. theta energy: -20.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -514.861861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.861861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.861861 (E_RNA)
where:
Base-Base interactions energy: -215.682
where: short stacking energy: -156.599
Base-Backbone interact. energy: 3.013
local terms energy: -302.192411
where:
bonds (distance) C4'-P energy: -76.748
bonds (distance) P-C4' energy: -70.166
flat angles C4'-P-C4' energy: -77.218
flat angles P-C4'-P energy: -51.212
tors. eta vs tors. theta energy: -26.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -404.257096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.257096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.257096 (E_RNA)
where:
Base-Base interactions energy: -131.783
where: short stacking energy: -122.823
Base-Backbone interact. energy: -0.261
local terms energy: -272.213723
where:
bonds (distance) C4'-P energy: -82.348
bonds (distance) P-C4' energy: -85.756
flat angles C4'-P-C4' energy: -67.789
flat angles P-C4'-P energy: -39.672
tors. eta vs tors. theta energy: 3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -372.824892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.824892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.824892 (E_RNA)
where:
Base-Base interactions energy: -107.781
where: short stacking energy: -93.539
Base-Backbone interact. energy: 6.843
local terms energy: -271.886591
where:
bonds (distance) C4'-P energy: -71.121
bonds (distance) P-C4' energy: -86.043
flat angles C4'-P-C4' energy: -82.281
flat angles P-C4'-P energy: -55.289
tors. eta vs tors. theta energy: 22.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -367.478464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.478464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.478464 (E_RNA)
where:
Base-Base interactions energy: -116.280
where: short stacking energy: -94.429
Base-Backbone interact. energy: 2.410
local terms energy: -253.607896
where:
bonds (distance) C4'-P energy: -66.809
bonds (distance) P-C4' energy: -76.043
flat angles C4'-P-C4' energy: -70.008
flat angles P-C4'-P energy: -39.912
tors. eta vs tors. theta energy: -0.836
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1238.315893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.315893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.315893 (E_RNA)
where:
Base-Base interactions energy: -752.463
where: short stacking energy: -432.191
Base-Backbone interact. energy: -1.586
local terms energy: -484.266987
where:
bonds (distance) C4'-P energy: -88.070
bonds (distance) P-C4' energy: -88.423
flat angles C4'-P-C4' energy: -104.748
flat angles P-C4'-P energy: -66.903
tors. eta vs tors. theta energy: -136.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1109.723551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.723551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.723551 (E_RNA)
where:
Base-Base interactions energy: -635.712
where: short stacking energy: -388.548
Base-Backbone interact. energy: -0.481
local terms energy: -473.530279
where:
bonds (distance) C4'-P energy: -87.732
bonds (distance) P-C4' energy: -88.869
flat angles C4'-P-C4' energy: -96.761
flat angles P-C4'-P energy: -76.883
tors. eta vs tors. theta energy: -123.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -968.326888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.326888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.326888 (E_RNA)
where:
Base-Base interactions energy: -543.691
where: short stacking energy: -325.939
Base-Backbone interact. energy: -4.036
local terms energy: -420.599874
where:
bonds (distance) C4'-P energy: -89.262
bonds (distance) P-C4' energy: -90.742
flat angles C4'-P-C4' energy: -92.741
flat angles P-C4'-P energy: -55.416
tors. eta vs tors. theta energy: -92.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -795.042658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.042658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.042658 (E_RNA)
where:
Base-Base interactions energy: -433.588
where: short stacking energy: -262.756
Base-Backbone interact. energy: 1.168
local terms energy: -362.622792
where:
bonds (distance) C4'-P energy: -83.409
bonds (distance) P-C4' energy: -85.250
flat angles C4'-P-C4' energy: -84.892
flat angles P-C4'-P energy: -61.481
tors. eta vs tors. theta energy: -47.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -689.895538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.895538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.895538 (E_RNA)
where:
Base-Base interactions energy: -340.838
where: short stacking energy: -217.071
Base-Backbone interact. energy: 0.250
local terms energy: -349.307120
where:
bonds (distance) C4'-P energy: -70.896
bonds (distance) P-C4' energy: -91.806
flat angles C4'-P-C4' energy: -96.780
flat angles P-C4'-P energy: -46.444
tors. eta vs tors. theta energy: -43.382
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: 241
Temperature: 1.150000
Total energy: -560.696529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.696529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.696529 (E_RNA)
where:
Base-Base interactions energy: -238.086
where: short stacking energy: -182.207
Base-Backbone interact. energy: -1.358
local terms energy: -321.251610
where:
bonds (distance) C4'-P energy: -63.124
bonds (distance) P-C4' energy: -93.282
flat angles C4'-P-C4' energy: -78.599
flat angles P-C4'-P energy: -58.237
tors. eta vs tors. theta energy: -28.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -510.231049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.231049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.231049 (E_RNA)
where:
Base-Base interactions energy: -203.281
where: short stacking energy: -163.341
Base-Backbone interact. energy: -0.766
local terms energy: -306.184223
where:
bonds (distance) C4'-P energy: -75.377
bonds (distance) P-C4' energy: -93.251
flat angles C4'-P-C4' energy: -87.346
flat angles P-C4'-P energy: -33.003
tors. eta vs tors. theta energy: -17.207
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: 5
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -399.016204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.016204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.016204 (E_RNA)
where:
Base-Base interactions energy: -130.773
where: short stacking energy: -121.112
Base-Backbone interact. energy: -1.221
local terms energy: -267.022266
where:
bonds (distance) C4'-P energy: -72.164
bonds (distance) P-C4' energy: -88.736
flat angles C4'-P-C4' energy: -60.611
flat angles P-C4'-P energy: -49.929
tors. eta vs tors. theta energy: 4.418
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: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -397.119798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.119798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.119798 (E_RNA)
where:
Base-Base interactions energy: -149.950
where: short stacking energy: -117.288
Base-Backbone interact. energy: 1.730
local terms energy: -248.900383
where:
bonds (distance) C4'-P energy: -82.436
bonds (distance) P-C4' energy: -77.860
flat angles C4'-P-C4' energy: -59.215
flat angles P-C4'-P energy: -37.203
tors. eta vs tors. theta energy: 7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -344.940522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.940522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.940522 (E_RNA)
where:
Base-Base interactions energy: -117.354
where: short stacking energy: -100.436
Base-Backbone interact. energy: 0.730
local terms energy: -228.317242
where:
bonds (distance) C4'-P energy: -75.157
bonds (distance) P-C4' energy: -73.620
flat angles C4'-P-C4' energy: -69.725
flat angles P-C4'-P energy: -22.357
tors. eta vs tors. theta energy: 12.543
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1246.649884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.649884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.649884 (E_RNA)
where:
Base-Base interactions energy: -748.071
where: short stacking energy: -432.690
Base-Backbone interact. energy: -0.092
local terms energy: -498.486115
where:
bonds (distance) C4'-P energy: -83.814
bonds (distance) P-C4' energy: -106.114
flat angles C4'-P-C4' energy: -105.557
flat angles P-C4'-P energy: -72.024
tors. eta vs tors. theta energy: -130.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1046.834872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.834872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.834872 (E_RNA)
where:
Base-Base interactions energy: -617.295
where: short stacking energy: -362.225
Base-Backbone interact. energy: -1.565
local terms energy: -427.975268
where:
bonds (distance) C4'-P energy: -90.754
bonds (distance) P-C4' energy: -84.579
flat angles C4'-P-C4' energy: -93.925
flat angles P-C4'-P energy: -54.139
tors. eta vs tors. theta energy: -104.578
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: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -945.413513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.413513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.413513 (E_RNA)
where:
Base-Base interactions energy: -535.638
where: short stacking energy: -312.436
Base-Backbone interact. energy: -1.360
local terms energy: -408.415556
where:
bonds (distance) C4'-P energy: -77.074
bonds (distance) P-C4' energy: -87.352
flat angles C4'-P-C4' energy: -101.832
flat angles P-C4'-P energy: -60.896
tors. eta vs tors. theta energy: -81.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -830.039499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.039499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.039499 (E_RNA)
where:
Base-Base interactions energy: -427.622
where: short stacking energy: -264.573
Base-Backbone interact. energy: 0.034
local terms energy: -402.451562
where:
bonds (distance) C4'-P energy: -91.078
bonds (distance) P-C4' energy: -87.993
flat angles C4'-P-C4' energy: -96.682
flat angles P-C4'-P energy: -65.451
tors. eta vs tors. theta energy: -61.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -659.773767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.773767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.773767 (E_RNA)
where:
Base-Base interactions energy: -334.621
where: short stacking energy: -230.796
Base-Backbone interact. energy: 0.467
local terms energy: -325.620352
where:
bonds (distance) C4'-P energy: -71.232
bonds (distance) P-C4' energy: -94.302
flat angles C4'-P-C4' energy: -70.145
flat angles P-C4'-P energy: -57.614
tors. eta vs tors. theta energy: -32.329
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: 242
Temperature: 1.150000
Total energy: -565.313558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.313558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.313558 (E_RNA)
where:
Base-Base interactions energy: -263.546
where: short stacking energy: -170.982
Base-Backbone interact. energy: -0.357
local terms energy: -301.411371
where:
bonds (distance) C4'-P energy: -83.306
bonds (distance) P-C4' energy: -84.414
flat angles C4'-P-C4' energy: -71.719
flat angles P-C4'-P energy: -42.710
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: 7
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -488.946065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.946065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.946065 (E_RNA)
where:
Base-Base interactions energy: -203.892
where: short stacking energy: -147.015
Base-Backbone interact. energy: 2.594
local terms energy: -287.648297
where:
bonds (distance) C4'-P energy: -83.845
bonds (distance) P-C4' energy: -76.263
flat angles C4'-P-C4' energy: -72.738
flat angles P-C4'-P energy: -52.451
tors. eta vs tors. theta energy: -2.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -414.516621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.516621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.516621 (E_RNA)
where:
Base-Base interactions energy: -135.895
where: short stacking energy: -108.835
Base-Backbone interact. energy: 0.928
local terms energy: -279.549700
where:
bonds (distance) C4'-P energy: -74.321
bonds (distance) P-C4' energy: -88.963
flat angles C4'-P-C4' energy: -72.293
flat angles P-C4'-P energy: -43.499
tors. eta vs tors. theta energy: -0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -384.111343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.111343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.111343 (E_RNA)
where:
Base-Base interactions energy: -127.033
where: short stacking energy: -110.761
Base-Backbone interact. energy: -0.800
local terms energy: -256.278462
where:
bonds (distance) C4'-P energy: -63.749
bonds (distance) P-C4' energy: -86.639
flat angles C4'-P-C4' energy: -67.355
flat angles P-C4'-P energy: -45.805
tors. eta vs tors. theta energy: 7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -357.038756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.038756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.038756 (E_RNA)
where:
Base-Base interactions energy: -94.047
where: short stacking energy: -79.404
Base-Backbone interact. energy: -1.682
local terms energy: -261.310094
where:
bonds (distance) C4'-P energy: -78.489
bonds (distance) P-C4' energy: -82.752
flat angles C4'-P-C4' energy: -73.849
flat angles P-C4'-P energy: -49.405
tors. eta vs tors. theta energy: 23.185
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1234.542115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.542115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.542115 (E_RNA)
where:
Base-Base interactions energy: -734.161
where: short stacking energy: -431.360
Base-Backbone interact. energy: -1.382
local terms energy: -498.998860
where:
bonds (distance) C4'-P energy: -90.650
bonds (distance) P-C4' energy: -106.865
flat angles C4'-P-C4' energy: -110.784
flat angles P-C4'-P energy: -60.739
tors. eta vs tors. theta energy: -129.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1076.597006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.597006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.597006 (E_RNA)
where:
Base-Base interactions energy: -633.670
where: short stacking energy: -345.509
Base-Backbone interact. energy: -0.862
local terms energy: -442.064932
where:
bonds (distance) C4'-P energy: -95.362
bonds (distance) P-C4' energy: -94.984
flat angles C4'-P-C4' energy: -88.455
flat angles P-C4'-P energy: -53.944
tors. eta vs tors. theta energy: -109.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -910.283028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.283028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.283028 (E_RNA)
where:
Base-Base interactions energy: -533.844
where: short stacking energy: -314.492
Base-Backbone interact. energy: -2.001
local terms energy: -374.438158
where:
bonds (distance) C4'-P energy: -90.326
bonds (distance) P-C4' energy: -78.401
flat angles C4'-P-C4' energy: -80.442
flat angles P-C4'-P energy: -53.438
tors. eta vs tors. theta energy: -71.830
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: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -860.682653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.682653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.682653 (E_RNA)
where:
Base-Base interactions energy: -483.560
where: short stacking energy: -278.466
Base-Backbone interact. energy: -0.808
local terms energy: -376.314621
where:
bonds (distance) C4'-P energy: -70.440
bonds (distance) P-C4' energy: -107.494
flat angles C4'-P-C4' energy: -90.033
flat angles P-C4'-P energy: -50.321
tors. eta vs tors. theta energy: -58.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -662.143673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.143673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.143673 (E_RNA)
where:
Base-Base interactions energy: -355.044
where: short stacking energy: -224.842
Base-Backbone interact. energy: 9.778
local terms energy: -316.877312
where:
bonds (distance) C4'-P energy: -78.118
bonds (distance) P-C4' energy: -81.930
flat angles C4'-P-C4' energy: -77.256
flat angles P-C4'-P energy: -40.508
tors. eta vs tors. theta energy: -39.065
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: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -535.395625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.395625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.395625 (E_RNA)
where:
Base-Base interactions energy: -208.287
where: short stacking energy: -156.849
Base-Backbone interact. energy: 1.995
local terms energy: -329.103807
where:
bonds (distance) C4'-P energy: -68.232
bonds (distance) P-C4' energy: -86.227
flat angles C4'-P-C4' energy: -100.361
flat angles P-C4'-P energy: -59.265
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: 7, replica: 7
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -445.249958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.249958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.249958 (E_RNA)
where:
Base-Base interactions energy: -155.261
where: short stacking energy: -131.193
Base-Backbone interact. energy: -2.772
local terms energy: -287.216617
where:
bonds (distance) C4'-P energy: -79.627
bonds (distance) P-C4' energy: -74.429
flat angles C4'-P-C4' energy: -70.631
flat angles P-C4'-P energy: -52.896
tors. eta vs tors. theta energy: -9.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -390.750171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.750171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.750171 (E_RNA)
where:
Base-Base interactions energy: -122.067
where: short stacking energy: -97.134
Base-Backbone interact. energy: 4.541
local terms energy: -273.223703
where:
bonds (distance) C4'-P energy: -79.842
bonds (distance) P-C4' energy: -88.559
flat angles C4'-P-C4' energy: -74.173
flat angles P-C4'-P energy: -40.348
tors. eta vs tors. theta energy: 9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -398.136447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.136447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.136447 (E_RNA)
where:
Base-Base interactions energy: -142.788
where: short stacking energy: -128.605
Base-Backbone interact. energy: -1.340
local terms energy: -254.007994
where:
bonds (distance) C4'-P energy: -74.996
bonds (distance) P-C4' energy: -77.314
flat angles C4'-P-C4' energy: -78.052
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: -0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -334.971595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.971595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.971595 (E_RNA)
where:
Base-Base interactions energy: -122.868
where: short stacking energy: -99.711
Base-Backbone interact. energy: -0.393
local terms energy: -211.710961
where:
bonds (distance) C4'-P energy: -81.876
bonds (distance) P-C4' energy: -77.671
flat angles C4'-P-C4' energy: -64.860
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: 28.091
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1247.461871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.461871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.461871 (E_RNA)
where:
Base-Base interactions energy: -756.059
where: short stacking energy: -430.867
Base-Backbone interact. energy: -2.224
local terms energy: -489.178432
where:
bonds (distance) C4'-P energy: -104.734
bonds (distance) P-C4' energy: -99.396
flat angles C4'-P-C4' energy: -95.535
flat angles P-C4'-P energy: -60.031
tors. eta vs tors. theta energy: -129.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1107.211357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.211357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.211357 (E_RNA)
where:
Base-Base interactions energy: -650.929
where: short stacking energy: -370.847
Base-Backbone interact. energy: -3.714
local terms energy: -452.568716
where:
bonds (distance) C4'-P energy: -96.871
bonds (distance) P-C4' energy: -91.021
flat angles C4'-P-C4' energy: -101.665
flat angles P-C4'-P energy: -57.143
tors. eta vs tors. theta energy: -105.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -929.142330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.142330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.142330 (E_RNA)
where:
Base-Base interactions energy: -526.668
where: short stacking energy: -316.689
Base-Backbone interact. energy: -1.625
local terms energy: -400.849252
where:
bonds (distance) C4'-P energy: -78.692
bonds (distance) P-C4' energy: -94.627
flat angles C4'-P-C4' energy: -93.122
flat angles P-C4'-P energy: -47.274
tors. eta vs tors. theta energy: -87.133
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: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -911.194181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.194181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.194181 (E_RNA)
where:
Base-Base interactions energy: -524.079
where: short stacking energy: -313.905
Base-Backbone interact. energy: 1.266
local terms energy: -388.380672
where:
bonds (distance) C4'-P energy: -86.135
bonds (distance) P-C4' energy: -86.399
flat angles C4'-P-C4' energy: -82.617
flat angles P-C4'-P energy: -57.171
tors. eta vs tors. theta energy: -76.058
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: 3
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -653.097466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.097466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.097466 (E_RNA)
where:
Base-Base interactions energy: -306.507
where: short stacking energy: -216.252
Base-Backbone interact. energy: -0.400
local terms energy: -346.191073
where:
bonds (distance) C4'-P energy: -93.307
bonds (distance) P-C4' energy: -85.013
flat angles C4'-P-C4' energy: -77.109
flat angles P-C4'-P energy: -58.299
tors. eta vs tors. theta energy: -32.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -562.386799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.386799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.386799 (E_RNA)
where:
Base-Base interactions energy: -235.455
where: short stacking energy: -171.413
Base-Backbone interact. energy: -1.362
local terms energy: -325.569781
where:
bonds (distance) C4'-P energy: -82.597
bonds (distance) P-C4' energy: -79.762
flat angles C4'-P-C4' energy: -88.045
flat angles P-C4'-P energy: -55.453
tors. eta vs tors. theta energy: -19.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -470.991745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.991745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.991745 (E_RNA)
where:
Base-Base interactions energy: -184.638
where: short stacking energy: -141.169
Base-Backbone interact. energy: 1.670
local terms energy: -288.023329
where:
bonds (distance) C4'-P energy: -79.178
bonds (distance) P-C4' energy: -92.499
flat angles C4'-P-C4' energy: -69.221
flat angles P-C4'-P energy: -41.943
tors. eta vs tors. theta energy: -5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -423.930692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.930692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.930692 (E_RNA)
where:
Base-Base interactions energy: -148.840
where: short stacking energy: -137.631
Base-Backbone interact. energy: 6.763
local terms energy: -281.854069
where:
bonds (distance) C4'-P energy: -83.514
bonds (distance) P-C4' energy: -69.326
flat angles C4'-P-C4' energy: -75.487
flat angles P-C4'-P energy: -36.972
tors. eta vs tors. theta energy: -16.555
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: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -399.510901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.510901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.510901 (E_RNA)
where:
Base-Base interactions energy: -117.871
where: short stacking energy: -110.605
Base-Backbone interact. energy: 0.967
local terms energy: -282.606543
where:
bonds (distance) C4'-P energy: -85.882
bonds (distance) P-C4' energy: -87.057
flat angles C4'-P-C4' energy: -73.707
flat angles P-C4'-P energy: -37.847
tors. eta vs tors. theta energy: 1.886
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: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -345.633750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.633750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.633750 (E_RNA)
where:
Base-Base interactions energy: -97.188
where: short stacking energy: -82.141
Base-Backbone interact. energy: 0.887
local terms energy: -249.331960
where:
bonds (distance) C4'-P energy: -80.299
bonds (distance) P-C4' energy: -75.501
flat angles C4'-P-C4' energy: -69.581
flat angles P-C4'-P energy: -39.461
tors. eta vs tors. theta energy: 15.511
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1248.680035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.680035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.680035 (E_RNA)
where:
Base-Base interactions energy: -746.302
where: short stacking energy: -402.415
Base-Backbone interact. energy: -0.603
local terms energy: -501.775092
where:
bonds (distance) C4'-P energy: -100.706
bonds (distance) P-C4' energy: -101.486
flat angles C4'-P-C4' energy: -98.525
flat angles P-C4'-P energy: -69.090
tors. eta vs tors. theta energy: -131.967
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: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1050.323393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.323393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.323393 (E_RNA)
where:
Base-Base interactions energy: -601.081
where: short stacking energy: -358.448
Base-Backbone interact. energy: -1.004
local terms energy: -448.237517
where:
bonds (distance) C4'-P energy: -95.058
bonds (distance) P-C4' energy: -93.009
flat angles C4'-P-C4' energy: -96.323
flat angles P-C4'-P energy: -58.338
tors. eta vs tors. theta energy: -105.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -954.645536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.645536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.645536 (E_RNA)
where:
Base-Base interactions energy: -555.321
where: short stacking energy: -326.078
Base-Backbone interact. energy: 1.510
local terms energy: -400.834720
where:
bonds (distance) C4'-P energy: -82.090
bonds (distance) P-C4' energy: -78.736
flat angles C4'-P-C4' energy: -89.643
flat angles P-C4'-P energy: -57.317
tors. eta vs tors. theta energy: -93.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -886.133055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.133055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.133055 (E_RNA)
where:
Base-Base interactions energy: -501.052
where: short stacking energy: -280.599
Base-Backbone interact. energy: 0.072
local terms energy: -385.153245
where:
bonds (distance) C4'-P energy: -80.780
bonds (distance) P-C4' energy: -97.455
flat angles C4'-P-C4' energy: -77.877
flat angles P-C4'-P energy: -54.397
tors. eta vs tors. theta energy: -74.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -644.040827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.040827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.040827 (E_RNA)
where:
Base-Base interactions energy: -296.499
where: short stacking energy: -202.185
Base-Backbone interact. energy: -0.762
local terms energy: -346.780145
where:
bonds (distance) C4'-P energy: -87.599
bonds (distance) P-C4' energy: -74.325
flat angles C4'-P-C4' energy: -93.360
flat angles P-C4'-P energy: -50.056
tors. eta vs tors. theta energy: -41.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -553.184882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.184882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.184882 (E_RNA)
where:
Base-Base interactions energy: -239.905
where: short stacking energy: -176.242
Base-Backbone interact. energy: -0.109
local terms energy: -313.171184
where:
bonds (distance) C4'-P energy: -88.356
bonds (distance) P-C4' energy: -86.583
flat angles C4'-P-C4' energy: -72.364
flat angles P-C4'-P energy: -42.720
tors. eta vs tors. theta energy: -23.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -465.378433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.378433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.378433 (E_RNA)
where:
Base-Base interactions energy: -181.719
where: short stacking energy: -162.688
Base-Backbone interact. energy: 4.573
local terms energy: -288.231919
where:
bonds (distance) C4'-P energy: -76.395
bonds (distance) P-C4' energy: -80.199
flat angles C4'-P-C4' energy: -82.857
flat angles P-C4'-P energy: -45.308
tors. eta vs tors. theta energy: -3.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -432.366568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.366568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.366568 (E_RNA)
where:
Base-Base interactions energy: -143.889
where: short stacking energy: -131.537
Base-Backbone interact. energy: 1.141
local terms energy: -289.619276
where:
bonds (distance) C4'-P energy: -78.485
bonds (distance) P-C4' energy: -73.319
flat angles C4'-P-C4' energy: -73.399
flat angles P-C4'-P energy: -50.135
tors. eta vs tors. theta energy: -14.282
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: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -388.637015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.637015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.637015 (E_RNA)
where:
Base-Base interactions energy: -126.338
where: short stacking energy: -111.985
Base-Backbone interact. energy: 7.932
local terms energy: -270.231052
where:
bonds (distance) C4'-P energy: -74.046
bonds (distance) P-C4' energy: -87.894
flat angles C4'-P-C4' energy: -68.587
flat angles P-C4'-P energy: -45.074
tors. eta vs tors. theta energy: 5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -355.651186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.651186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.651186 (E_RNA)
where:
Base-Base interactions energy: -139.463
where: short stacking energy: -137.674
Base-Backbone interact. energy: 3.497
local terms energy: -219.685389
where:
bonds (distance) C4'-P energy: -64.209
bonds (distance) P-C4' energy: -58.884
flat angles C4'-P-C4' energy: -68.164
flat angles P-C4'-P energy: -29.902
tors. eta vs tors. theta energy: 1.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1258.658579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.658579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.658579 (E_RNA)
where:
Base-Base interactions energy: -759.182
where: short stacking energy: -452.149
Base-Backbone interact. energy: -2.035
local terms energy: -497.441489
where:
bonds (distance) C4'-P energy: -91.389
bonds (distance) P-C4' energy: -96.082
flat angles C4'-P-C4' energy: -108.178
flat angles P-C4'-P energy: -64.628
tors. eta vs tors. theta energy: -137.165
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: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1079.116702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.116702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.116702 (E_RNA)
where:
Base-Base interactions energy: -631.201
where: short stacking energy: -355.608
Base-Backbone interact. energy: -0.964
local terms energy: -446.952294
where:
bonds (distance) C4'-P energy: -83.931
bonds (distance) P-C4' energy: -99.053
flat angles C4'-P-C4' energy: -103.053
flat angles P-C4'-P energy: -54.369
tors. eta vs tors. theta energy: -106.546
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: 3, replica: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1001.361404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.361404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.361404 (E_RNA)
where:
Base-Base interactions energy: -557.380
where: short stacking energy: -342.798
Base-Backbone interact. energy: -2.301
local terms energy: -441.679704
where:
bonds (distance) C4'-P energy: -95.034
bonds (distance) P-C4' energy: -92.650
flat angles C4'-P-C4' energy: -88.471
flat angles P-C4'-P energy: -74.104
tors. eta vs tors. theta energy: -91.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -901.313276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.313276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.313276 (E_RNA)
where:
Base-Base interactions energy: -525.449
where: short stacking energy: -309.129
Base-Backbone interact. energy: -0.440
local terms energy: -375.424264
where:
bonds (distance) C4'-P energy: -81.050
bonds (distance) P-C4' energy: -82.886
flat angles C4'-P-C4' energy: -85.635
flat angles P-C4'-P energy: -43.246
tors. eta vs tors. theta energy: -82.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -682.815113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.815113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.815113 (E_RNA)
where:
Base-Base interactions energy: -345.050
where: short stacking energy: -231.412
Base-Backbone interact. energy: 3.097
local terms energy: -340.861661
where:
bonds (distance) C4'-P energy: -73.187
bonds (distance) P-C4' energy: -91.688
flat angles C4'-P-C4' energy: -87.109
flat angles P-C4'-P energy: -50.803
tors. eta vs tors. theta energy: -38.075
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: 1
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -536.986388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.986388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.986388 (E_RNA)
where:
Base-Base interactions energy: -207.290
where: short stacking energy: -169.580
Base-Backbone interact. energy: 1.139
local terms energy: -330.835235
where:
bonds (distance) C4'-P energy: -93.364
bonds (distance) P-C4' energy: -77.404
flat angles C4'-P-C4' energy: -80.549
flat angles P-C4'-P energy: -56.143
tors. eta vs tors. theta energy: -23.376
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: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -457.703386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.703386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.703386 (E_RNA)
where:
Base-Base interactions energy: -154.852
where: short stacking energy: -138.674
Base-Backbone interact. energy: -1.134
local terms energy: -301.718108
where:
bonds (distance) C4'-P energy: -72.338
bonds (distance) P-C4' energy: -96.780
flat angles C4'-P-C4' energy: -77.980
flat angles P-C4'-P energy: -49.318
tors. eta vs tors. theta energy: -5.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -417.882565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.882565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.882565 (E_RNA)
where:
Base-Base interactions energy: -146.364
where: short stacking energy: -137.762
Base-Backbone interact. energy: -2.413
local terms energy: -269.105697
where:
bonds (distance) C4'-P energy: -79.369
bonds (distance) P-C4' energy: -75.286
flat angles C4'-P-C4' energy: -80.715
flat angles P-C4'-P energy: -37.742
tors. eta vs tors. theta energy: 4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -380.293687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.293687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.293687 (E_RNA)
where:
Base-Base interactions energy: -132.713
where: short stacking energy: -119.943
Base-Backbone interact. energy: 0.202
local terms energy: -247.782491
where:
bonds (distance) C4'-P energy: -86.979
bonds (distance) P-C4' energy: -89.713
flat angles C4'-P-C4' energy: -45.968
flat angles P-C4'-P energy: -32.926
tors. eta vs tors. theta energy: 7.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -368.730190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.730190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.730190 (E_RNA)
where:
Base-Base interactions energy: -133.568
where: short stacking energy: -97.803
Base-Backbone interact. energy: -0.732
local terms energy: -234.430219
where:
bonds (distance) C4'-P energy: -81.660
bonds (distance) P-C4' energy: -78.428
flat angles C4'-P-C4' energy: -69.315
flat angles P-C4'-P energy: -21.682
tors. eta vs tors. theta energy: 16.656
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1246.512649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.512649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.512649 (E_RNA)
where:
Base-Base interactions energy: -752.028
where: short stacking energy: -421.544
Base-Backbone interact. energy: 1.547
local terms energy: -496.032145
where:
bonds (distance) C4'-P energy: -97.718
bonds (distance) P-C4' energy: -96.689
flat angles C4'-P-C4' energy: -105.648
flat angles P-C4'-P energy: -72.537
tors. eta vs tors. theta energy: -123.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1072.465891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.465891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.465891 (E_RNA)
where:
Base-Base interactions energy: -622.904
where: short stacking energy: -365.667
Base-Backbone interact. energy: -0.325
local terms energy: -449.237339
where:
bonds (distance) C4'-P energy: -89.194
bonds (distance) P-C4' energy: -84.451
flat angles C4'-P-C4' energy: -90.544
flat angles P-C4'-P energy: -74.580
tors. eta vs tors. theta energy: -110.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -915.522554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.522554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.522554 (E_RNA)
where:
Base-Base interactions energy: -511.235
where: short stacking energy: -310.329
Base-Backbone interact. energy: -2.619
local terms energy: -401.668796
where:
bonds (distance) C4'-P energy: -83.557
bonds (distance) P-C4' energy: -86.585
flat angles C4'-P-C4' energy: -90.201
flat angles P-C4'-P energy: -58.972
tors. eta vs tors. theta energy: -82.353
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: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -971.060890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.060890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.060890 (E_RNA)
where:
Base-Base interactions energy: -564.571
where: short stacking energy: -333.002
Base-Backbone interact. energy: -1.601
local terms energy: -404.888658
where:
bonds (distance) C4'-P energy: -80.587
bonds (distance) P-C4' energy: -92.309
flat angles C4'-P-C4' energy: -97.014
flat angles P-C4'-P energy: -57.650
tors. eta vs tors. theta energy: -77.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -670.699570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.699570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.699570 (E_RNA)
where:
Base-Base interactions energy: -329.016
where: short stacking energy: -239.685
Base-Backbone interact. energy: -0.936
local terms energy: -340.747589
where:
bonds (distance) C4'-P energy: -77.618
bonds (distance) P-C4' energy: -85.225
flat angles C4'-P-C4' energy: -83.266
flat angles P-C4'-P energy: -49.894
tors. eta vs tors. theta energy: -44.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -503.068943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.068943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.068943 (E_RNA)
where:
Base-Base interactions energy: -207.263
where: short stacking energy: -158.036
Base-Backbone interact. energy: -2.793
local terms energy: -293.013204
where:
bonds (distance) C4'-P energy: -76.709
bonds (distance) P-C4' energy: -74.817
flat angles C4'-P-C4' energy: -74.660
flat angles P-C4'-P energy: -40.618
tors. eta vs tors. theta energy: -26.209
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: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -447.323494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.323494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.323494 (E_RNA)
where:
Base-Base interactions energy: -174.036
where: short stacking energy: -153.272
Base-Backbone interact. energy: 2.570
local terms energy: -275.857569
where:
bonds (distance) C4'-P energy: -71.653
bonds (distance) P-C4' energy: -91.835
flat angles C4'-P-C4' energy: -82.787
flat angles P-C4'-P energy: -32.278
tors. eta vs tors. theta energy: 2.695
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: 8, replica: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -403.083345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.083345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.083345 (E_RNA)
where:
Base-Base interactions energy: -138.253
where: short stacking energy: -128.747
Base-Backbone interact. energy: -0.113
local terms energy: -264.717435
where:
bonds (distance) C4'-P energy: -64.850
bonds (distance) P-C4' energy: -69.035
flat angles C4'-P-C4' energy: -80.918
flat angles P-C4'-P energy: -40.802
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: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -389.723821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.723821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.723821 (E_RNA)
where:
Base-Base interactions energy: -139.381
where: short stacking energy: -123.419
Base-Backbone interact. energy: 1.482
local terms energy: -251.824880
where:
bonds (distance) C4'-P energy: -65.805
bonds (distance) P-C4' energy: -75.488
flat angles C4'-P-C4' energy: -72.983
flat angles P-C4'-P energy: -39.667
tors. eta vs tors. theta energy: 2.119
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: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -355.642266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.642266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.642266 (E_RNA)
where:
Base-Base interactions energy: -112.684
where: short stacking energy: -103.377
Base-Backbone interact. energy: 2.043
local terms energy: -245.001119
where:
bonds (distance) C4'-P energy: -74.221
bonds (distance) P-C4' energy: -67.627
flat angles C4'-P-C4' energy: -76.604
flat angles P-C4'-P energy: -28.692
tors. eta vs tors. theta energy: 2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1238.905483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.905483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.905483 (E_RNA)
where:
Base-Base interactions energy: -742.821
where: short stacking energy: -425.423
Base-Backbone interact. energy: 1.807
local terms energy: -497.891054
where:
bonds (distance) C4'-P energy: -94.510
bonds (distance) P-C4' energy: -101.185
flat angles C4'-P-C4' energy: -107.647
flat angles P-C4'-P energy: -72.209
tors. eta vs tors. theta energy: -122.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1098.735131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.735131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.735131 (E_RNA)
where:
Base-Base interactions energy: -641.455
where: short stacking energy: -370.092
Base-Backbone interact. energy: 5.105
local terms energy: -462.385419
where:
bonds (distance) C4'-P energy: -88.800
bonds (distance) P-C4' energy: -99.750
flat angles C4'-P-C4' energy: -103.066
flat angles P-C4'-P energy: -62.830
tors. eta vs tors. theta energy: -107.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -915.980244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.980244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.980244 (E_RNA)
where:
Base-Base interactions energy: -502.869
where: short stacking energy: -313.367
Base-Backbone interact. energy: -2.229
local terms energy: -410.882085
where:
bonds (distance) C4'-P energy: -96.166
bonds (distance) P-C4' energy: -91.153
flat angles C4'-P-C4' energy: -87.745
flat angles P-C4'-P energy: -54.978
tors. eta vs tors. theta energy: -80.841
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: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -891.036585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.036585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.036585 (E_RNA)
where:
Base-Base interactions energy: -505.485
where: short stacking energy: -293.359
Base-Backbone interact. energy: 2.288
local terms energy: -387.838932
where:
bonds (distance) C4'-P energy: -76.951
bonds (distance) P-C4' energy: -74.071
flat angles C4'-P-C4' energy: -94.843
flat angles P-C4'-P energy: -67.941
tors. eta vs tors. theta energy: -74.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -655.047823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.047823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.047823 (E_RNA)
where:
Base-Base interactions energy: -307.321
where: short stacking energy: -207.653
Base-Backbone interact. energy: 0.522
local terms energy: -348.248335
where:
bonds (distance) C4'-P energy: -72.929
bonds (distance) P-C4' energy: -92.003
flat angles C4'-P-C4' energy: -85.576
flat angles P-C4'-P energy: -59.323
tors. eta vs tors. theta energy: -38.417
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: 10
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -505.267978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.267978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.267978 (E_RNA)
where:
Base-Base interactions energy: -217.984
where: short stacking energy: -158.020
Base-Backbone interact. energy: 0.529
local terms energy: -287.812982
where:
bonds (distance) C4'-P energy: -80.934
bonds (distance) P-C4' energy: -73.652
flat angles C4'-P-C4' energy: -83.883
flat angles P-C4'-P energy: -49.364
tors. eta vs tors. theta energy: 0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -447.240066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.240066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.240066 (E_RNA)
where:
Base-Base interactions energy: -168.011
where: short stacking energy: -160.351
Base-Backbone interact. energy: 2.349
local terms energy: -281.578584
where:
bonds (distance) C4'-P energy: -70.161
bonds (distance) P-C4' energy: -76.051
flat angles C4'-P-C4' energy: -67.177
flat angles P-C4'-P energy: -46.713
tors. eta vs tors. theta energy: -21.476
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: 248
Temperature: 1.250000
Total energy: -461.926590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.926590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.926590 (E_RNA)
where:
Base-Base interactions energy: -182.038
where: short stacking energy: -146.370
Base-Backbone interact. energy: 0.520
local terms energy: -280.408695
where:
bonds (distance) C4'-P energy: -72.849
bonds (distance) P-C4' energy: -90.769
flat angles C4'-P-C4' energy: -68.928
flat angles P-C4'-P energy: -43.311
tors. eta vs tors. theta energy: -4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -389.217591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.217591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.217591 (E_RNA)
where:
Base-Base interactions energy: -131.964
where: short stacking energy: -115.250
Base-Backbone interact. energy: 2.947
local terms energy: -260.200834
where:
bonds (distance) C4'-P energy: -80.037
bonds (distance) P-C4' energy: -82.962
flat angles C4'-P-C4' energy: -73.156
flat angles P-C4'-P energy: -35.980
tors. eta vs tors. theta energy: 11.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -396.491400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.491400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.491400 (E_RNA)
where:
Base-Base interactions energy: -135.854
where: short stacking energy: -122.530
Base-Backbone interact. energy: 2.242
local terms energy: -262.878935
where:
bonds (distance) C4'-P energy: -65.085
bonds (distance) P-C4' energy: -79.639
flat angles C4'-P-C4' energy: -76.127
flat angles P-C4'-P energy: -53.253
tors. eta vs tors. theta energy: 11.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1256.881709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.881709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.881709 (E_RNA)
where:
Base-Base interactions energy: -784.361
where: short stacking energy: -438.456
Base-Backbone interact. energy: -2.459
local terms energy: -470.061899
where:
bonds (distance) C4'-P energy: -93.220
bonds (distance) P-C4' energy: -91.296
flat angles C4'-P-C4' energy: -99.743
flat angles P-C4'-P energy: -65.291
tors. eta vs tors. theta energy: -120.511
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: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1070.157617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.157617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.157617 (E_RNA)
where:
Base-Base interactions energy: -611.958
where: short stacking energy: -376.761
Base-Backbone interact. energy: -1.317
local terms energy: -456.882705
where:
bonds (distance) C4'-P energy: -90.579
bonds (distance) P-C4' energy: -96.520
flat angles C4'-P-C4' energy: -98.732
flat angles P-C4'-P energy: -68.512
tors. eta vs tors. theta energy: -102.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -962.881476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.881476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.881476 (E_RNA)
where:
Base-Base interactions energy: -542.768
where: short stacking energy: -350.115
Base-Backbone interact. energy: -1.815
local terms energy: -418.298434
where:
bonds (distance) C4'-P energy: -85.789
bonds (distance) P-C4' energy: -88.007
flat angles C4'-P-C4' energy: -92.264
flat angles P-C4'-P energy: -58.361
tors. eta vs tors. theta energy: -93.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -866.742437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.742437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.742437 (E_RNA)
where:
Base-Base interactions energy: -486.591
where: short stacking energy: -285.032
Base-Backbone interact. energy: -1.768
local terms energy: -378.383364
where:
bonds (distance) C4'-P energy: -79.577
bonds (distance) P-C4' energy: -88.656
flat angles C4'-P-C4' energy: -84.243
flat angles P-C4'-P energy: -59.770
tors. eta vs tors. theta energy: -66.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -645.145106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.145106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.145106 (E_RNA)
where:
Base-Base interactions energy: -284.716
where: short stacking energy: -203.146
Base-Backbone interact. energy: 0.861
local terms energy: -361.289897
where:
bonds (distance) C4'-P energy: -92.656
bonds (distance) P-C4' energy: -86.405
flat angles C4'-P-C4' energy: -92.885
flat angles P-C4'-P energy: -54.439
tors. eta vs tors. theta energy: -34.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -517.477664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.477664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.477664 (E_RNA)
where:
Base-Base interactions energy: -208.848
where: short stacking energy: -174.205
Base-Backbone interact. energy: 0.504
local terms energy: -309.133387
where:
bonds (distance) C4'-P energy: -73.168
bonds (distance) P-C4' energy: -81.041
flat angles C4'-P-C4' energy: -93.222
flat angles P-C4'-P energy: -40.943
tors. eta vs tors. theta energy: -20.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -447.003159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.003159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.003159 (E_RNA)
where:
Base-Base interactions energy: -167.564
where: short stacking energy: -142.030
Base-Backbone interact. energy: 3.228
local terms energy: -282.667321
where:
bonds (distance) C4'-P energy: -73.637
bonds (distance) P-C4' energy: -84.103
flat angles C4'-P-C4' energy: -76.026
flat angles P-C4'-P energy: -28.312
tors. eta vs tors. theta energy: -20.590
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: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -467.185709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.185709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.185709 (E_RNA)
where:
Base-Base interactions energy: -204.698
where: short stacking energy: -144.257
Base-Backbone interact. energy: -2.234
local terms energy: -260.254054
where:
bonds (distance) C4'-P energy: -70.307
bonds (distance) P-C4' energy: -87.234
flat angles C4'-P-C4' energy: -72.086
flat angles P-C4'-P energy: -25.612
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -373.775073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.775073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.775073 (E_RNA)
where:
Base-Base interactions energy: -106.850
where: short stacking energy: -104.589
Base-Backbone interact. energy: -1.045
local terms energy: -265.879914
where:
bonds (distance) C4'-P energy: -67.564
bonds (distance) P-C4' energy: -77.111
flat angles C4'-P-C4' energy: -73.497
flat angles P-C4'-P energy: -42.577
tors. eta vs tors. theta energy: -5.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -347.420618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.420618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.420618 (E_RNA)
where:
Base-Base interactions energy: -106.701
where: short stacking energy: -92.974
Base-Backbone interact. energy: -0.740
local terms energy: -239.979250
where:
bonds (distance) C4'-P energy: -76.093
bonds (distance) P-C4' energy: -78.512
flat angles C4'-P-C4' energy: -71.982
flat angles P-C4'-P energy: -34.014
tors. eta vs tors. theta energy: 20.621
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1237.037342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.037342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.037342 (E_RNA)
where:
Base-Base interactions energy: -734.929
where: short stacking energy: -439.248
Base-Backbone interact. energy: 1.558
local terms energy: -503.667225
where:
bonds (distance) C4'-P energy: -94.253
bonds (distance) P-C4' energy: -100.458
flat angles C4'-P-C4' energy: -107.598
flat angles P-C4'-P energy: -65.860
tors. eta vs tors. theta energy: -135.498
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: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1083.164089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.164089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.164089 (E_RNA)
where:
Base-Base interactions energy: -608.999
where: short stacking energy: -381.317
Base-Backbone interact. energy: -0.773
local terms energy: -473.392021
where:
bonds (distance) C4'-P energy: -99.482
bonds (distance) P-C4' energy: -99.622
flat angles C4'-P-C4' energy: -85.540
flat angles P-C4'-P energy: -65.730
tors. eta vs tors. theta energy: -123.018
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: 3, replica: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -934.871878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.871878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.871878 (E_RNA)
where:
Base-Base interactions energy: -505.366
where: short stacking energy: -309.988
Base-Backbone interact. energy: -0.820
local terms energy: -428.686550
where:
bonds (distance) C4'-P energy: -85.066
bonds (distance) P-C4' energy: -97.972
flat angles C4'-P-C4' energy: -96.991
flat angles P-C4'-P energy: -53.487
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: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -844.487499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.487499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.487499 (E_RNA)
where:
Base-Base interactions energy: -475.724
where: short stacking energy: -290.991
Base-Backbone interact. energy: -2.661
local terms energy: -366.101879
where:
bonds (distance) C4'-P energy: -82.967
bonds (distance) P-C4' energy: -89.855
flat angles C4'-P-C4' energy: -72.076
flat angles P-C4'-P energy: -45.900
tors. eta vs tors. theta energy: -75.305
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: 250
Temperature: 1.100000
Total energy: -701.647371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.647371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.647371 (E_RNA)
where:
Base-Base interactions energy: -353.510
where: short stacking energy: -254.938
Base-Backbone interact. energy: -4.003
local terms energy: -344.133965
where:
bonds (distance) C4'-P energy: -69.403
bonds (distance) P-C4' energy: -85.347
flat angles C4'-P-C4' energy: -85.465
flat angles P-C4'-P energy: -36.776
tors. eta vs tors. theta energy: -67.144
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: 250
Temperature: 1.150000
Total energy: -474.806489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.806489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.806489 (E_RNA)
where:
Base-Base interactions energy: -169.965
where: short stacking energy: -137.177
Base-Backbone interact. energy: -1.967
local terms energy: -302.874088
where:
bonds (distance) C4'-P energy: -78.611
bonds (distance) P-C4' energy: -88.279
flat angles C4'-P-C4' energy: -96.184
flat angles P-C4'-P energy: -49.964
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: 7, replica: 1
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -502.456324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.456324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.456324 (E_RNA)
where:
Base-Base interactions energy: -204.141
where: short stacking energy: -148.586
Base-Backbone interact. energy: -0.101
local terms energy: -298.213784
where:
bonds (distance) C4'-P energy: -82.187
bonds (distance) P-C4' energy: -80.923
flat angles C4'-P-C4' energy: -67.218
flat angles P-C4'-P energy: -47.978
tors. eta vs tors. theta energy: -19.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -418.305409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.305409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.305409 (E_RNA)
where:
Base-Base interactions energy: -159.502
where: short stacking energy: -139.771
Base-Backbone interact. energy: 0.374
local terms energy: -259.176994
where:
bonds (distance) C4'-P energy: -87.095
bonds (distance) P-C4' energy: -68.439
flat angles C4'-P-C4' energy: -79.920
flat angles P-C4'-P energy: -20.398
tors. eta vs tors. theta energy: -3.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -397.657628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.657628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.657628 (E_RNA)
where:
Base-Base interactions energy: -129.413
where: short stacking energy: -87.736
Base-Backbone interact. energy: -1.758
local terms energy: -266.487391
where:
bonds (distance) C4'-P energy: -85.881
bonds (distance) P-C4' energy: -76.706
flat angles C4'-P-C4' energy: -64.677
flat angles P-C4'-P energy: -45.179
tors. eta vs tors. theta energy: 5.956
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: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -350.647186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.647186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.647186 (E_RNA)
where:
Base-Base interactions energy: -131.995
where: short stacking energy: -105.021
Base-Backbone interact. energy: -2.776
local terms energy: -215.875893
where:
bonds (distance) C4'-P energy: -75.677
bonds (distance) P-C4' energy: -78.382
flat angles C4'-P-C4' energy: -40.453
flat angles P-C4'-P energy: -46.003
tors. eta vs tors. theta energy: 24.639
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1223.444825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.444825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.444825 (E_RNA)
where:
Base-Base interactions energy: -745.440
where: short stacking energy: -439.117
Base-Backbone interact. energy: -2.816
local terms energy: -475.188478
where:
bonds (distance) C4'-P energy: -79.067
bonds (distance) P-C4' energy: -94.694
flat angles C4'-P-C4' energy: -105.323
flat angles P-C4'-P energy: -71.417
tors. eta vs tors. theta energy: -124.686
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: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1064.366871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.366871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.366871 (E_RNA)
where:
Base-Base interactions energy: -616.113
where: short stacking energy: -376.388
Base-Backbone interact. energy: -1.874
local terms energy: -446.379997
where:
bonds (distance) C4'-P energy: -84.448
bonds (distance) P-C4' energy: -89.943
flat angles C4'-P-C4' energy: -109.197
flat angles P-C4'-P energy: -66.807
tors. eta vs tors. theta energy: -95.985
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: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -956.511315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.511315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.511315 (E_RNA)
where:
Base-Base interactions energy: -536.302
where: short stacking energy: -311.468
Base-Backbone interact. energy: -1.464
local terms energy: -418.746105
where:
bonds (distance) C4'-P energy: -84.781
bonds (distance) P-C4' energy: -85.963
flat angles C4'-P-C4' energy: -90.105
flat angles P-C4'-P energy: -58.441
tors. eta vs tors. theta energy: -99.456
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: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -842.553481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.553481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.553481 (E_RNA)
where:
Base-Base interactions energy: -464.578
where: short stacking energy: -282.045
Base-Backbone interact. energy: 0.205
local terms energy: -378.180128
where:
bonds (distance) C4'-P energy: -85.550
bonds (distance) P-C4' energy: -76.422
flat angles C4'-P-C4' energy: -95.093
flat angles P-C4'-P energy: -61.441
tors. eta vs tors. theta energy: -59.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -698.061866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.061866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.061866 (E_RNA)
where:
Base-Base interactions energy: -351.055
where: short stacking energy: -254.252
Base-Backbone interact. energy: -1.357
local terms energy: -345.649850
where:
bonds (distance) C4'-P energy: -79.451
bonds (distance) P-C4' energy: -95.462
flat angles C4'-P-C4' energy: -76.593
flat angles P-C4'-P energy: -49.234
tors. eta vs tors. theta energy: -44.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -476.130696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.130696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.130696 (E_RNA)
where:
Base-Base interactions energy: -176.741
where: short stacking energy: -149.865
Base-Backbone interact. energy: -1.285
local terms energy: -298.104746
where:
bonds (distance) C4'-P energy: -80.829
bonds (distance) P-C4' energy: -82.460
flat angles C4'-P-C4' energy: -71.389
flat angles P-C4'-P energy: -58.171
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: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -462.037247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.037247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.037247 (E_RNA)
where:
Base-Base interactions energy: -193.281
where: short stacking energy: -166.854
Base-Backbone interact. energy: 6.457
local terms energy: -275.213302
where:
bonds (distance) C4'-P energy: -74.919
bonds (distance) P-C4' energy: -77.350
flat angles C4'-P-C4' energy: -59.737
flat angles P-C4'-P energy: -43.584
tors. eta vs tors. theta energy: -19.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -391.183806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.183806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.183806 (E_RNA)
where:
Base-Base interactions energy: -132.522
where: short stacking energy: -114.561
Base-Backbone interact. energy: -3.560
local terms energy: -255.101596
where:
bonds (distance) C4'-P energy: -84.561
bonds (distance) P-C4' energy: -68.267
flat angles C4'-P-C4' energy: -77.664
flat angles P-C4'-P energy: -40.265
tors. eta vs tors. theta energy: 15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -388.013807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.013807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.013807 (E_RNA)
where:
Base-Base interactions energy: -146.090
where: short stacking energy: -112.731
Base-Backbone interact. energy: 0.424
local terms energy: -242.347737
where:
bonds (distance) C4'-P energy: -74.836
bonds (distance) P-C4' energy: -85.059
flat angles C4'-P-C4' energy: -61.214
flat angles P-C4'-P energy: -39.096
tors. eta vs tors. theta energy: 17.858
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: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -336.344449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.344449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.344449 (E_RNA)
where:
Base-Base interactions energy: -97.226
where: short stacking energy: -89.814
Base-Backbone interact. energy: 1.492
local terms energy: -240.610636
where:
bonds (distance) C4'-P energy: -82.450
bonds (distance) P-C4' energy: -70.710
flat angles C4'-P-C4' energy: -65.109
flat angles P-C4'-P energy: -31.882
tors. eta vs tors. theta energy: 9.540
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1214.511035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.511035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.511035 (E_RNA)
where:
Base-Base interactions energy: -739.779
where: short stacking energy: -434.695
Base-Backbone interact. energy: -2.833
local terms energy: -471.898769
where:
bonds (distance) C4'-P energy: -88.924
bonds (distance) P-C4' energy: -88.423
flat angles C4'-P-C4' energy: -101.603
flat angles P-C4'-P energy: -69.071
tors. eta vs tors. theta energy: -123.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1057.551634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.551634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.551634 (E_RNA)
where:
Base-Base interactions energy: -602.138
where: short stacking energy: -355.065
Base-Backbone interact. energy: -1.444
local terms energy: -453.969263
where:
bonds (distance) C4'-P energy: -93.975
bonds (distance) P-C4' energy: -96.296
flat angles C4'-P-C4' energy: -104.085
flat angles P-C4'-P energy: -54.500
tors. eta vs tors. theta energy: -105.113
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: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -971.365385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.365385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.365385 (E_RNA)
where:
Base-Base interactions energy: -563.663
where: short stacking energy: -353.098
Base-Backbone interact. energy: -2.495
local terms energy: -405.206911
where:
bonds (distance) C4'-P energy: -88.675
bonds (distance) P-C4' energy: -85.275
flat angles C4'-P-C4' energy: -85.960
flat angles P-C4'-P energy: -57.911
tors. eta vs tors. theta energy: -87.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -924.053641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.053641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.053641 (E_RNA)
where:
Base-Base interactions energy: -512.856
where: short stacking energy: -302.183
Base-Backbone interact. energy: -0.976
local terms energy: -410.221919
where:
bonds (distance) C4'-P energy: -88.333
bonds (distance) P-C4' energy: -92.229
flat angles C4'-P-C4' energy: -99.966
flat angles P-C4'-P energy: -51.442
tors. eta vs tors. theta energy: -78.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -685.653297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.653297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.653297 (E_RNA)
where:
Base-Base interactions energy: -329.484
where: short stacking energy: -230.036
Base-Backbone interact. energy: -0.711
local terms energy: -355.458501
where:
bonds (distance) C4'-P energy: -86.823
bonds (distance) P-C4' energy: -89.712
flat angles C4'-P-C4' energy: -70.981
flat angles P-C4'-P energy: -57.115
tors. eta vs tors. theta energy: -50.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -507.405168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.405168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.405168 (E_RNA)
where:
Base-Base interactions energy: -204.157
where: short stacking energy: -156.377
Base-Backbone interact. energy: -0.099
local terms energy: -303.149141
where:
bonds (distance) C4'-P energy: -82.513
bonds (distance) P-C4' energy: -83.119
flat angles C4'-P-C4' energy: -70.218
flat angles P-C4'-P energy: -56.231
tors. eta vs tors. theta energy: -11.068
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: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -493.504784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.504784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.504784 (E_RNA)
where:
Base-Base interactions energy: -196.489
where: short stacking energy: -156.583
Base-Backbone interact. energy: 2.180
local terms energy: -299.195953
where:
bonds (distance) C4'-P energy: -82.543
bonds (distance) P-C4' energy: -81.011
flat angles C4'-P-C4' energy: -70.690
flat angles P-C4'-P energy: -49.044
tors. eta vs tors. theta energy: -15.908
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: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -425.495305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.495305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.495305 (E_RNA)
where:
Base-Base interactions energy: -144.804
where: short stacking energy: -126.788
Base-Backbone interact. energy: 1.216
local terms energy: -281.906673
where:
bonds (distance) C4'-P energy: -78.910
bonds (distance) P-C4' energy: -87.055
flat angles C4'-P-C4' energy: -65.396
flat angles P-C4'-P energy: -42.173
tors. eta vs tors. theta energy: -8.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -388.698927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.698927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.698927 (E_RNA)
where:
Base-Base interactions energy: -140.535
where: short stacking energy: -129.946
Base-Backbone interact. energy: -0.378
local terms energy: -247.785572
where:
bonds (distance) C4'-P energy: -72.209
bonds (distance) P-C4' energy: -82.142
flat angles C4'-P-C4' energy: -71.382
flat angles P-C4'-P energy: -39.137
tors. eta vs tors. theta energy: 17.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -362.423310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.423310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.423310 (E_RNA)
where:
Base-Base interactions energy: -109.752
where: short stacking energy: -107.818
Base-Backbone interact. energy: -1.547
local terms energy: -251.124318
where:
bonds (distance) C4'-P energy: -77.556
bonds (distance) P-C4' energy: -83.360
flat angles C4'-P-C4' energy: -62.781
flat angles P-C4'-P energy: -36.834
tors. eta vs tors. theta energy: 9.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1191.276483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.276483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.276483 (E_RNA)
where:
Base-Base interactions energy: -719.926
where: short stacking energy: -436.533
Base-Backbone interact. energy: -2.909
local terms energy: -468.441756
where:
bonds (distance) C4'-P energy: -87.635
bonds (distance) P-C4' energy: -97.800
flat angles C4'-P-C4' energy: -98.057
flat angles P-C4'-P energy: -63.404
tors. eta vs tors. theta energy: -121.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1062.449691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.449691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.449691 (E_RNA)
where:
Base-Base interactions energy: -605.645
where: short stacking energy: -376.372
Base-Backbone interact. energy: -0.768
local terms energy: -456.036339
where:
bonds (distance) C4'-P energy: -96.701
bonds (distance) P-C4' energy: -88.252
flat angles C4'-P-C4' energy: -104.536
flat angles P-C4'-P energy: -60.734
tors. eta vs tors. theta energy: -105.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -959.427233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.427233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.427233 (E_RNA)
where:
Base-Base interactions energy: -557.038
where: short stacking energy: -339.916
Base-Backbone interact. energy: 0.840
local terms energy: -403.228858
where:
bonds (distance) C4'-P energy: -82.542
bonds (distance) P-C4' energy: -84.482
flat angles C4'-P-C4' energy: -96.271
flat angles P-C4'-P energy: -58.002
tors. eta vs tors. theta energy: -81.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -901.699097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.699097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.699097 (E_RNA)
where:
Base-Base interactions energy: -512.135
where: short stacking energy: -306.038
Base-Backbone interact. energy: 0.280
local terms energy: -389.844411
where:
bonds (distance) C4'-P energy: -89.748
bonds (distance) P-C4' energy: -77.392
flat angles C4'-P-C4' energy: -84.164
flat angles P-C4'-P energy: -58.244
tors. eta vs tors. theta energy: -80.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -666.088223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.088223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.088223 (E_RNA)
where:
Base-Base interactions energy: -322.163
where: short stacking energy: -224.350
Base-Backbone interact. energy: -2.039
local terms energy: -341.885900
where:
bonds (distance) C4'-P energy: -90.831
bonds (distance) P-C4' energy: -82.066
flat angles C4'-P-C4' energy: -81.959
flat angles P-C4'-P energy: -51.590
tors. eta vs tors. theta energy: -35.440
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: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -563.269530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.269530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.269530 (E_RNA)
where:
Base-Base interactions energy: -237.424
where: short stacking energy: -197.906
Base-Backbone interact. energy: -0.232
local terms energy: -325.613301
where:
bonds (distance) C4'-P energy: -82.572
bonds (distance) P-C4' energy: -89.315
flat angles C4'-P-C4' energy: -75.208
flat angles P-C4'-P energy: -46.175
tors. eta vs tors. theta energy: -32.343
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: 253
Temperature: 1.200000
Total energy: -521.908051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.908051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.908051 (E_RNA)
where:
Base-Base interactions energy: -219.981
where: short stacking energy: -151.508
Base-Backbone interact. energy: 0.441
local terms energy: -302.367804
where:
bonds (distance) C4'-P energy: -79.337
bonds (distance) P-C4' energy: -83.791
flat angles C4'-P-C4' energy: -75.123
flat angles P-C4'-P energy: -50.479
tors. eta vs tors. theta energy: -13.638
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: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -402.874837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.874837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.874837 (E_RNA)
where:
Base-Base interactions energy: -138.437
where: short stacking energy: -123.415
Base-Backbone interact. energy: -0.327
local terms energy: -264.110606
where:
bonds (distance) C4'-P energy: -73.699
bonds (distance) P-C4' energy: -78.662
flat angles C4'-P-C4' energy: -67.868
flat angles P-C4'-P energy: -47.631
tors. eta vs tors. theta energy: 3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -371.302227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.302227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.302227 (E_RNA)
where:
Base-Base interactions energy: -124.829
where: short stacking energy: -102.325
Base-Backbone interact. energy: 2.017
local terms energy: -248.490150
where:
bonds (distance) C4'-P energy: -75.325
bonds (distance) P-C4' energy: -80.243
flat angles C4'-P-C4' energy: -62.997
flat angles P-C4'-P energy: -41.033
tors. eta vs tors. theta energy: 11.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -356.578897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.578897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.578897 (E_RNA)
where:
Base-Base interactions energy: -114.579
where: short stacking energy: -103.805
Base-Backbone interact. energy: 0.760
local terms energy: -242.759720
where:
bonds (distance) C4'-P energy: -80.123
bonds (distance) P-C4' energy: -80.299
flat angles C4'-P-C4' energy: -60.722
flat angles P-C4'-P energy: -38.703
tors. eta vs tors. theta energy: 17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1219.776389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.776389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.776389 (E_RNA)
where:
Base-Base interactions energy: -742.983
where: short stacking energy: -423.275
Base-Backbone interact. energy: -0.231
local terms energy: -476.561777
where:
bonds (distance) C4'-P energy: -75.512
bonds (distance) P-C4' energy: -97.468
flat angles C4'-P-C4' energy: -105.348
flat angles P-C4'-P energy: -75.325
tors. eta vs tors. theta energy: -122.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1061.407845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.407845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.407845 (E_RNA)
where:
Base-Base interactions energy: -611.296
where: short stacking energy: -373.220
Base-Backbone interact. energy: -1.346
local terms energy: -448.765191
where:
bonds (distance) C4'-P energy: -95.799
bonds (distance) P-C4' energy: -91.052
flat angles C4'-P-C4' energy: -90.388
flat angles P-C4'-P energy: -63.290
tors. eta vs tors. theta energy: -108.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -937.533125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.533125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.533125 (E_RNA)
where:
Base-Base interactions energy: -541.765
where: short stacking energy: -325.174
Base-Backbone interact. energy: 0.993
local terms energy: -396.761150
where:
bonds (distance) C4'-P energy: -73.710
bonds (distance) P-C4' energy: -90.878
flat angles C4'-P-C4' energy: -87.688
flat angles P-C4'-P energy: -65.862
tors. eta vs tors. theta energy: -78.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -886.560993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.560993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.560993 (E_RNA)
where:
Base-Base interactions energy: -481.536
where: short stacking energy: -301.422
Base-Backbone interact. energy: -1.754
local terms energy: -403.271357
where:
bonds (distance) C4'-P energy: -87.838
bonds (distance) P-C4' energy: -76.332
flat angles C4'-P-C4' energy: -97.155
flat angles P-C4'-P energy: -69.702
tors. eta vs tors. theta energy: -72.245
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: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -692.493975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.493975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.493975 (E_RNA)
where:
Base-Base interactions energy: -316.075
where: short stacking energy: -224.091
Base-Backbone interact. energy: -1.377
local terms energy: -375.042292
where:
bonds (distance) C4'-P energy: -83.794
bonds (distance) P-C4' energy: -82.533
flat angles C4'-P-C4' energy: -98.123
flat angles P-C4'-P energy: -57.988
tors. eta vs tors. theta energy: -52.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -504.130883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.130883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.130883 (E_RNA)
where:
Base-Base interactions energy: -193.246
where: short stacking energy: -170.264
Base-Backbone interact. energy: -0.276
local terms energy: -310.609831
where:
bonds (distance) C4'-P energy: -78.429
bonds (distance) P-C4' energy: -97.407
flat angles C4'-P-C4' energy: -70.017
flat angles P-C4'-P energy: -39.726
tors. eta vs tors. theta energy: -25.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -494.922865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.922865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.922865 (E_RNA)
where:
Base-Base interactions energy: -207.670
where: short stacking energy: -147.613
Base-Backbone interact. energy: 1.070
local terms energy: -288.322410
where:
bonds (distance) C4'-P energy: -68.936
bonds (distance) P-C4' energy: -82.873
flat angles C4'-P-C4' energy: -86.499
flat angles P-C4'-P energy: -33.887
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -405.423256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.423256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.423256 (E_RNA)
where:
Base-Base interactions energy: -136.160
where: short stacking energy: -120.010
Base-Backbone interact. energy: -0.412
local terms energy: -268.850590
where:
bonds (distance) C4'-P energy: -76.898
bonds (distance) P-C4' energy: -80.607
flat angles C4'-P-C4' energy: -61.954
flat angles P-C4'-P energy: -46.678
tors. eta vs tors. theta energy: -2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -373.392412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.392412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.392412 (E_RNA)
where:
Base-Base interactions energy: -121.373
where: short stacking energy: -93.628
Base-Backbone interact. energy: -2.205
local terms energy: -249.814682
where:
bonds (distance) C4'-P energy: -82.650
bonds (distance) P-C4' energy: -85.961
flat angles C4'-P-C4' energy: -67.812
flat angles P-C4'-P energy: -38.215
tors. eta vs tors. theta energy: 24.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -347.763418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.763418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.763418 (E_RNA)
where:
Base-Base interactions energy: -109.859
where: short stacking energy: -102.887
Base-Backbone interact. energy: 7.608
local terms energy: -245.512934
where:
bonds (distance) C4'-P energy: -75.739
bonds (distance) P-C4' energy: -72.528
flat angles C4'-P-C4' energy: -67.966
flat angles P-C4'-P energy: -36.512
tors. eta vs tors. theta energy: 7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1226.958970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.958970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.958970 (E_RNA)
where:
Base-Base interactions energy: -742.193
where: short stacking energy: -429.835
Base-Backbone interact. energy: -1.499
local terms energy: -483.266713
where:
bonds (distance) C4'-P energy: -92.246
bonds (distance) P-C4' energy: -95.332
flat angles C4'-P-C4' energy: -104.715
flat angles P-C4'-P energy: -59.067
tors. eta vs tors. theta energy: -131.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1029.703036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.703036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.703036 (E_RNA)
where:
Base-Base interactions energy: -584.527
where: short stacking energy: -336.435
Base-Backbone interact. energy: -0.417
local terms energy: -444.759689
where:
bonds (distance) C4'-P energy: -88.168
bonds (distance) P-C4' energy: -94.265
flat angles C4'-P-C4' energy: -94.201
flat angles P-C4'-P energy: -62.055
tors. eta vs tors. theta energy: -106.072
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: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -965.626242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.626242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.626242 (E_RNA)
where:
Base-Base interactions energy: -543.395
where: short stacking energy: -329.959
Base-Backbone interact. energy: -3.645
local terms energy: -418.585671
where:
bonds (distance) C4'-P energy: -94.598
bonds (distance) P-C4' energy: -83.934
flat angles C4'-P-C4' energy: -87.683
flat angles P-C4'-P energy: -56.306
tors. eta vs tors. theta energy: -96.064
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: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -893.072390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.072390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.072390 (E_RNA)
where:
Base-Base interactions energy: -497.697
where: short stacking energy: -288.623
Base-Backbone interact. energy: -1.411
local terms energy: -393.964049
where:
bonds (distance) C4'-P energy: -88.182
bonds (distance) P-C4' energy: -85.009
flat angles C4'-P-C4' energy: -98.739
flat angles P-C4'-P energy: -51.062
tors. eta vs tors. theta energy: -70.973
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: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -656.424975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.424975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.424975 (E_RNA)
where:
Base-Base interactions energy: -299.794
where: short stacking energy: -206.016
Base-Backbone interact. energy: -1.125
local terms energy: -355.506358
where:
bonds (distance) C4'-P energy: -75.923
bonds (distance) P-C4' energy: -85.606
flat angles C4'-P-C4' energy: -99.449
flat angles P-C4'-P energy: -52.413
tors. eta vs tors. theta energy: -42.114
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: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -502.958580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.958580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.958580 (E_RNA)
where:
Base-Base interactions energy: -193.824
where: short stacking energy: -171.019
Base-Backbone interact. energy: -1.284
local terms energy: -307.850919
where:
bonds (distance) C4'-P energy: -67.219
bonds (distance) P-C4' energy: -84.856
flat angles C4'-P-C4' energy: -80.673
flat angles P-C4'-P energy: -56.688
tors. eta vs tors. theta energy: -18.415
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: 7, replica: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -433.572269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.572269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.572269 (E_RNA)
where:
Base-Base interactions energy: -146.172
where: short stacking energy: -137.323
Base-Backbone interact. energy: -2.380
local terms energy: -285.020197
where:
bonds (distance) C4'-P energy: -91.354
bonds (distance) P-C4' energy: -82.289
flat angles C4'-P-C4' energy: -72.514
flat angles P-C4'-P energy: -45.156
tors. eta vs tors. theta energy: 6.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -426.635914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.635914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.635914 (E_RNA)
where:
Base-Base interactions energy: -164.162
where: short stacking energy: -157.040
Base-Backbone interact. energy: -1.028
local terms energy: -261.446045
where:
bonds (distance) C4'-P energy: -75.240
bonds (distance) P-C4' energy: -70.117
flat angles C4'-P-C4' energy: -69.679
flat angles P-C4'-P energy: -32.042
tors. eta vs tors. theta energy: -14.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -390.681954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.681954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.681954 (E_RNA)
where:
Base-Base interactions energy: -118.668
where: short stacking energy: -112.254
Base-Backbone interact. energy: 1.186
local terms energy: -273.199290
where:
bonds (distance) C4'-P energy: -77.536
bonds (distance) P-C4' energy: -87.825
flat angles C4'-P-C4' energy: -85.674
flat angles P-C4'-P energy: -24.714
tors. eta vs tors. theta energy: 2.550
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: 10, replica: 5
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -363.085584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.085584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.085584 (E_RNA)
where:
Base-Base interactions energy: -117.695
where: short stacking energy: -119.425
Base-Backbone interact. energy: 3.182
local terms energy: -248.572300
where:
bonds (distance) C4'-P energy: -74.118
bonds (distance) P-C4' energy: -74.748
flat angles C4'-P-C4' energy: -66.351
flat angles P-C4'-P energy: -36.232
tors. eta vs tors. theta energy: 2.877
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1226.153635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.153635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.153635 (E_RNA)
where:
Base-Base interactions energy: -732.250
where: short stacking energy: -430.044
Base-Backbone interact. energy: 0.707
local terms energy: -494.610731
where:
bonds (distance) C4'-P energy: -95.235
bonds (distance) P-C4' energy: -99.840
flat angles C4'-P-C4' energy: -102.042
flat angles P-C4'-P energy: -70.121
tors. eta vs tors. theta energy: -127.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1100.085019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.085019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.085019 (E_RNA)
where:
Base-Base interactions energy: -619.296
where: short stacking energy: -391.752
Base-Backbone interact. energy: -0.857
local terms energy: -479.931416
where:
bonds (distance) C4'-P energy: -92.149
bonds (distance) P-C4' energy: -95.586
flat angles C4'-P-C4' energy: -105.422
flat angles P-C4'-P energy: -61.982
tors. eta vs tors. theta energy: -124.793
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: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -920.682405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.682405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.682405 (E_RNA)
where:
Base-Base interactions energy: -508.418
where: short stacking energy: -289.439
Base-Backbone interact. energy: 1.235
local terms energy: -413.499126
where:
bonds (distance) C4'-P energy: -77.236
bonds (distance) P-C4' energy: -89.317
flat angles C4'-P-C4' energy: -110.986
flat angles P-C4'-P energy: -55.906
tors. eta vs tors. theta energy: -80.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -893.098821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.098821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.098821 (E_RNA)
where:
Base-Base interactions energy: -509.655
where: short stacking energy: -295.003
Base-Backbone interact. energy: -0.837
local terms energy: -382.606777
where:
bonds (distance) C4'-P energy: -66.483
bonds (distance) P-C4' energy: -82.228
flat angles C4'-P-C4' energy: -91.253
flat angles P-C4'-P energy: -63.855
tors. eta vs tors. theta energy: -78.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -663.747952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.747952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.747952 (E_RNA)
where:
Base-Base interactions energy: -353.597
where: short stacking energy: -228.413
Base-Backbone interact. energy: 2.092
local terms energy: -312.243032
where:
bonds (distance) C4'-P energy: -74.633
bonds (distance) P-C4' energy: -71.618
flat angles C4'-P-C4' energy: -87.927
flat angles P-C4'-P energy: -55.236
tors. eta vs tors. theta energy: -22.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -479.926921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.926921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.926921 (E_RNA)
where:
Base-Base interactions energy: -169.629
where: short stacking energy: -160.186
Base-Backbone interact. energy: 2.815
local terms energy: -313.113234
where:
bonds (distance) C4'-P energy: -78.296
bonds (distance) P-C4' energy: -90.983
flat angles C4'-P-C4' energy: -74.927
flat angles P-C4'-P energy: -49.720
tors. eta vs tors. theta energy: -19.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -452.088852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.088852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.088852 (E_RNA)
where:
Base-Base interactions energy: -170.900
where: short stacking energy: -162.161
Base-Backbone interact. energy: 0.460
local terms energy: -281.649115
where:
bonds (distance) C4'-P energy: -64.189
bonds (distance) P-C4' energy: -80.361
flat angles C4'-P-C4' energy: -77.386
flat angles P-C4'-P energy: -41.693
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: 8, replica: 1
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -407.231310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.231310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.231310 (E_RNA)
where:
Base-Base interactions energy: -143.671
where: short stacking energy: -130.722
Base-Backbone interact. energy: 0.879
local terms energy: -264.439442
where:
bonds (distance) C4'-P energy: -73.745
bonds (distance) P-C4' energy: -72.843
flat angles C4'-P-C4' energy: -76.611
flat angles P-C4'-P energy: -35.835
tors. eta vs tors. theta energy: -5.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -384.250492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.250492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.250492 (E_RNA)
where:
Base-Base interactions energy: -132.067
where: short stacking energy: -108.842
Base-Backbone interact. energy: -1.391
local terms energy: -250.792374
where:
bonds (distance) C4'-P energy: -76.466
bonds (distance) P-C4' energy: -84.520
flat angles C4'-P-C4' energy: -53.476
flat angles P-C4'-P energy: -50.400
tors. eta vs tors. theta energy: 14.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -362.841862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.841862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.841862 (E_RNA)
where:
Base-Base interactions energy: -113.668
where: short stacking energy: -102.889
Base-Backbone interact. energy: -0.567
local terms energy: -248.606822
where:
bonds (distance) C4'-P energy: -70.037
bonds (distance) P-C4' energy: -82.923
flat angles C4'-P-C4' energy: -56.921
flat angles P-C4'-P energy: -35.032
tors. eta vs tors. theta energy: -3.694
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1247.547266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.547266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.547266 (E_RNA)
where:
Base-Base interactions energy: -747.743
where: short stacking energy: -444.410
Base-Backbone interact. energy: -2.150
local terms energy: -497.654623
where:
bonds (distance) C4'-P energy: -93.186
bonds (distance) P-C4' energy: -99.058
flat angles C4'-P-C4' energy: -94.145
flat angles P-C4'-P energy: -79.162
tors. eta vs tors. theta energy: -132.103
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: 2, replica: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1086.935727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.935727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.935727 (E_RNA)
where:
Base-Base interactions energy: -623.284
where: short stacking energy: -368.990
Base-Backbone interact. energy: -4.260
local terms energy: -459.391969
where:
bonds (distance) C4'-P energy: -78.628
bonds (distance) P-C4' energy: -102.098
flat angles C4'-P-C4' energy: -106.210
flat angles P-C4'-P energy: -67.201
tors. eta vs tors. theta energy: -105.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -948.028079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.028079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.028079 (E_RNA)
where:
Base-Base interactions energy: -540.531
where: short stacking energy: -319.133
Base-Backbone interact. energy: -2.246
local terms energy: -405.251582
where:
bonds (distance) C4'-P energy: -79.507
bonds (distance) P-C4' energy: -81.773
flat angles C4'-P-C4' energy: -101.490
flat angles P-C4'-P energy: -54.193
tors. eta vs tors. theta energy: -88.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -866.218499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.218499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.218499 (E_RNA)
where:
Base-Base interactions energy: -464.605
where: short stacking energy: -261.604
Base-Backbone interact. energy: -1.533
local terms energy: -400.080508
where:
bonds (distance) C4'-P energy: -86.197
bonds (distance) P-C4' energy: -93.279
flat angles C4'-P-C4' energy: -88.544
flat angles P-C4'-P energy: -59.505
tors. eta vs tors. theta energy: -72.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -647.706728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.706728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.706728 (E_RNA)
where:
Base-Base interactions energy: -328.802
where: short stacking energy: -207.106
Base-Backbone interact. energy: -1.118
local terms energy: -317.786524
where:
bonds (distance) C4'-P energy: -71.069
bonds (distance) P-C4' energy: -93.428
flat angles C4'-P-C4' energy: -84.401
flat angles P-C4'-P energy: -42.414
tors. eta vs tors. theta energy: -26.473
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: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -488.059005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.059005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.059005 (E_RNA)
where:
Base-Base interactions energy: -187.232
where: short stacking energy: -175.400
Base-Backbone interact. energy: -1.280
local terms energy: -299.547610
where:
bonds (distance) C4'-P energy: -87.498
bonds (distance) P-C4' energy: -66.311
flat angles C4'-P-C4' energy: -74.878
flat angles P-C4'-P energy: -51.106
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: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -437.897451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.897451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.897451 (E_RNA)
where:
Base-Base interactions energy: -140.899
where: short stacking energy: -134.734
Base-Backbone interact. energy: -1.681
local terms energy: -295.317147
where:
bonds (distance) C4'-P energy: -77.330
bonds (distance) P-C4' energy: -77.239
flat angles C4'-P-C4' energy: -82.501
flat angles P-C4'-P energy: -46.552
tors. eta vs tors. theta energy: -11.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -396.364893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.364893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.364893 (E_RNA)
where:
Base-Base interactions energy: -137.701
where: short stacking energy: -104.851
Base-Backbone interact. energy: 2.725
local terms energy: -261.389130
where:
bonds (distance) C4'-P energy: -84.254
bonds (distance) P-C4' energy: -93.724
flat angles C4'-P-C4' energy: -68.737
flat angles P-C4'-P energy: -23.730
tors. eta vs tors. theta energy: 9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -390.015279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.015279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.015279 (E_RNA)
where:
Base-Base interactions energy: -140.858
where: short stacking energy: -109.307
Base-Backbone interact. energy: -1.386
local terms energy: -247.771271
where:
bonds (distance) C4'-P energy: -80.979
bonds (distance) P-C4' energy: -85.813
flat angles C4'-P-C4' energy: -57.646
flat angles P-C4'-P energy: -26.256
tors. eta vs tors. theta energy: 2.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -347.053719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.053719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.053719 (E_RNA)
where:
Base-Base interactions energy: -112.233
where: short stacking energy: -99.192
Base-Backbone interact. energy: 3.705
local terms energy: -238.525056
where:
bonds (distance) C4'-P energy: -68.036
bonds (distance) P-C4' energy: -73.253
flat angles C4'-P-C4' energy: -71.822
flat angles P-C4'-P energy: -31.519
tors. eta vs tors. theta energy: 6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1262.707036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.707036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.707036 (E_RNA)
where:
Base-Base interactions energy: -760.456
where: short stacking energy: -461.036
Base-Backbone interact. energy: -1.303
local terms energy: -500.947194
where:
bonds (distance) C4'-P energy: -87.412
bonds (distance) P-C4' energy: -103.204
flat angles C4'-P-C4' energy: -107.312
flat angles P-C4'-P energy: -66.406
tors. eta vs tors. theta energy: -136.612
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: 2, replica: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1068.587842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.587842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.587842 (E_RNA)
where:
Base-Base interactions energy: -614.029
where: short stacking energy: -371.740
Base-Backbone interact. energy: -2.152
local terms energy: -452.407458
where:
bonds (distance) C4'-P energy: -89.533
bonds (distance) P-C4' energy: -86.513
flat angles C4'-P-C4' energy: -97.296
flat angles P-C4'-P energy: -66.631
tors. eta vs tors. theta energy: -112.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -939.193516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.193516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.193516 (E_RNA)
where:
Base-Base interactions energy: -528.660
where: short stacking energy: -326.815
Base-Backbone interact. energy: -1.813
local terms energy: -408.720257
where:
bonds (distance) C4'-P energy: -97.486
bonds (distance) P-C4' energy: -75.457
flat angles C4'-P-C4' energy: -86.830
flat angles P-C4'-P energy: -63.021
tors. eta vs tors. theta energy: -85.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -821.497687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.497687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.497687 (E_RNA)
where:
Base-Base interactions energy: -440.282
where: short stacking energy: -253.220
Base-Backbone interact. energy: -1.714
local terms energy: -379.501369
where:
bonds (distance) C4'-P energy: -86.297
bonds (distance) P-C4' energy: -86.152
flat angles C4'-P-C4' energy: -96.638
flat angles P-C4'-P energy: -54.537
tors. eta vs tors. theta energy: -55.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -667.615775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.615775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.615775 (E_RNA)
where:
Base-Base interactions energy: -314.883
where: short stacking energy: -200.733
Base-Backbone interact. energy: -1.387
local terms energy: -351.345277
where:
bonds (distance) C4'-P energy: -87.029
bonds (distance) P-C4' energy: -78.017
flat angles C4'-P-C4' energy: -81.147
flat angles P-C4'-P energy: -61.870
tors. eta vs tors. theta energy: -43.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -469.420406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.420406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.420406 (E_RNA)
where:
Base-Base interactions energy: -160.621
where: short stacking energy: -138.998
Base-Backbone interact. energy: -1.923
local terms energy: -306.876809
where:
bonds (distance) C4'-P energy: -76.935
bonds (distance) P-C4' energy: -80.135
flat angles C4'-P-C4' energy: -81.822
flat angles P-C4'-P energy: -55.897
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: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -439.822751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.822751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.822751 (E_RNA)
where:
Base-Base interactions energy: -143.249
where: short stacking energy: -120.311
Base-Backbone interact. energy: -0.244
local terms energy: -296.330169
where:
bonds (distance) C4'-P energy: -78.664
bonds (distance) P-C4' energy: -82.165
flat angles C4'-P-C4' energy: -76.935
flat angles P-C4'-P energy: -52.529
tors. eta vs tors. theta energy: -6.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -420.906014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.906014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.906014 (E_RNA)
where:
Base-Base interactions energy: -138.667
where: short stacking energy: -133.171
Base-Backbone interact. energy: 0.538
local terms energy: -282.777103
where:
bonds (distance) C4'-P energy: -72.637
bonds (distance) P-C4' energy: -97.496
flat angles C4'-P-C4' energy: -84.968
flat angles P-C4'-P energy: -27.955
tors. eta vs tors. theta energy: 0.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -360.473549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.473549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.473549 (E_RNA)
where:
Base-Base interactions energy: -136.326
where: short stacking energy: -119.953
Base-Backbone interact. energy: 5.605
local terms energy: -229.752279
where:
bonds (distance) C4'-P energy: -58.011
bonds (distance) P-C4' energy: -88.707
flat angles C4'-P-C4' energy: -65.816
flat angles P-C4'-P energy: -18.343
tors. eta vs tors. theta energy: 1.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -353.842409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.842409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.842409 (E_RNA)
where:
Base-Base interactions energy: -115.319
where: short stacking energy: -103.135
Base-Backbone interact. energy: 0.180
local terms energy: -238.702795
where:
bonds (distance) C4'-P energy: -84.533
bonds (distance) P-C4' energy: -71.639
flat angles C4'-P-C4' energy: -65.036
flat angles P-C4'-P energy: -47.653
tors. eta vs tors. theta energy: 30.158
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1233.165741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.165741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.165741 (E_RNA)
where:
Base-Base interactions energy: -768.893
where: short stacking energy: -454.433
Base-Backbone interact. energy: -1.432
local terms energy: -462.841265
where:
bonds (distance) C4'-P energy: -81.958
bonds (distance) P-C4' energy: -89.352
flat angles C4'-P-C4' energy: -94.813
flat angles P-C4'-P energy: -70.842
tors. eta vs tors. theta energy: -125.877
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: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1094.210446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.210446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.210446 (E_RNA)
where:
Base-Base interactions energy: -642.547
where: short stacking energy: -395.292
Base-Backbone interact. energy: -1.403
local terms energy: -450.260727
where:
bonds (distance) C4'-P energy: -86.098
bonds (distance) P-C4' energy: -95.927
flat angles C4'-P-C4' energy: -93.932
flat angles P-C4'-P energy: -65.043
tors. eta vs tors. theta energy: -109.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -967.566068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.566068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.566068 (E_RNA)
where:
Base-Base interactions energy: -516.828
where: short stacking energy: -306.293
Base-Backbone interact. energy: -1.272
local terms energy: -449.465779
where:
bonds (distance) C4'-P energy: -86.410
bonds (distance) P-C4' energy: -102.395
flat angles C4'-P-C4' energy: -105.461
flat angles P-C4'-P energy: -61.729
tors. eta vs tors. theta energy: -93.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -869.529103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.529103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.529103 (E_RNA)
where:
Base-Base interactions energy: -484.133
where: short stacking energy: -276.478
Base-Backbone interact. energy: -1.460
local terms energy: -383.935954
where:
bonds (distance) C4'-P energy: -80.110
bonds (distance) P-C4' energy: -92.672
flat angles C4'-P-C4' energy: -88.678
flat angles P-C4'-P energy: -59.112
tors. eta vs tors. theta energy: -63.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -671.141649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.141649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.141649 (E_RNA)
where:
Base-Base interactions energy: -316.739
where: short stacking energy: -226.571
Base-Backbone interact. energy: -0.516
local terms energy: -353.886543
where:
bonds (distance) C4'-P energy: -84.952
bonds (distance) P-C4' energy: -80.823
flat angles C4'-P-C4' energy: -83.068
flat angles P-C4'-P energy: -52.627
tors. eta vs tors. theta energy: -52.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -468.503463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.503463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.503463 (E_RNA)
where:
Base-Base interactions energy: -159.964
where: short stacking energy: -144.552
Base-Backbone interact. energy: -1.284
local terms energy: -307.255847
where:
bonds (distance) C4'-P energy: -85.717
bonds (distance) P-C4' energy: -89.087
flat angles C4'-P-C4' energy: -86.402
flat angles P-C4'-P energy: -43.908
tors. eta vs tors. theta energy: -2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -455.307460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.307460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.307460 (E_RNA)
where:
Base-Base interactions energy: -175.424
where: short stacking energy: -140.750
Base-Backbone interact. energy: -2.518
local terms energy: -277.364686
where:
bonds (distance) C4'-P energy: -73.632
bonds (distance) P-C4' energy: -79.965
flat angles C4'-P-C4' energy: -59.522
flat angles P-C4'-P energy: -50.870
tors. eta vs tors. theta energy: -13.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -402.219707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.219707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.219707 (E_RNA)
where:
Base-Base interactions energy: -134.499
where: short stacking energy: -107.905
Base-Backbone interact. energy: -2.226
local terms energy: -265.495083
where:
bonds (distance) C4'-P energy: -77.660
bonds (distance) P-C4' energy: -72.382
flat angles C4'-P-C4' energy: -76.192
flat angles P-C4'-P energy: -43.720
tors. eta vs tors. theta energy: 4.460
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: 9, replica: 7
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -397.469020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.469020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.469020 (E_RNA)
where:
Base-Base interactions energy: -153.331
where: short stacking energy: -113.116
Base-Backbone interact. energy: -1.313
local terms energy: -242.825271
where:
bonds (distance) C4'-P energy: -68.681
bonds (distance) P-C4' energy: -80.243
flat angles C4'-P-C4' energy: -63.129
flat angles P-C4'-P energy: -36.520
tors. eta vs tors. theta energy: 5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -360.094810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.094810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.094810 (E_RNA)
where:
Base-Base interactions energy: -115.613
where: short stacking energy: -105.434
Base-Backbone interact. energy: 3.926
local terms energy: -248.407933
where:
bonds (distance) C4'-P energy: -76.755
bonds (distance) P-C4' energy: -84.754
flat angles C4'-P-C4' energy: -62.237
flat angles P-C4'-P energy: -32.105
tors. eta vs tors. theta energy: 7.443
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1230.328909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.328909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.328909 (E_RNA)
where:
Base-Base interactions energy: -726.381
where: short stacking energy: -424.711
Base-Backbone interact. energy: -1.879
local terms energy: -502.068742
where:
bonds (distance) C4'-P energy: -88.212
bonds (distance) P-C4' energy: -105.456
flat angles C4'-P-C4' energy: -105.233
flat angles P-C4'-P energy: -76.277
tors. eta vs tors. theta energy: -126.891
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: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1068.973381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.973381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.973381 (E_RNA)
where:
Base-Base interactions energy: -607.371
where: short stacking energy: -379.985
Base-Backbone interact. energy: -0.165
local terms energy: -461.437957
where:
bonds (distance) C4'-P energy: -80.725
bonds (distance) P-C4' energy: -94.377
flat angles C4'-P-C4' energy: -98.410
flat angles P-C4'-P energy: -67.633
tors. eta vs tors. theta energy: -120.292
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: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -895.998788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.998788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.998788 (E_RNA)
where:
Base-Base interactions energy: -497.370
where: short stacking energy: -298.490
Base-Backbone interact. energy: -2.118
local terms energy: -396.511368
where:
bonds (distance) C4'-P energy: -100.797
bonds (distance) P-C4' energy: -80.691
flat angles C4'-P-C4' energy: -90.674
flat angles P-C4'-P energy: -52.359
tors. eta vs tors. theta energy: -71.990
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: 260
Temperature: 1.050000
Total energy: -885.177282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.177282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.177282 (E_RNA)
where:
Base-Base interactions energy: -485.342
where: short stacking energy: -297.736
Base-Backbone interact. energy: -1.217
local terms energy: -398.618271
where:
bonds (distance) C4'-P energy: -81.845
bonds (distance) P-C4' energy: -87.164
flat angles C4'-P-C4' energy: -92.543
flat angles P-C4'-P energy: -61.144
tors. eta vs tors. theta energy: -75.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -704.865880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.865880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.865880 (E_RNA)
where:
Base-Base interactions energy: -344.484
where: short stacking energy: -227.343
Base-Backbone interact. energy: -2.555
local terms energy: -357.826953
where:
bonds (distance) C4'-P energy: -85.306
bonds (distance) P-C4' energy: -81.794
flat angles C4'-P-C4' energy: -83.033
flat angles P-C4'-P energy: -61.597
tors. eta vs tors. theta energy: -46.097
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: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -488.396591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.396591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.396591 (E_RNA)
where:
Base-Base interactions energy: -187.749
where: short stacking energy: -159.637
Base-Backbone interact. energy: -1.398
local terms energy: -299.249698
where:
bonds (distance) C4'-P energy: -76.943
bonds (distance) P-C4' energy: -97.716
flat angles C4'-P-C4' energy: -78.790
flat angles P-C4'-P energy: -32.332
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -451.103038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.103038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.103038 (E_RNA)
where:
Base-Base interactions energy: -153.795
where: short stacking energy: -131.873
Base-Backbone interact. energy: 4.038
local terms energy: -301.346502
where:
bonds (distance) C4'-P energy: -72.837
bonds (distance) P-C4' energy: -88.212
flat angles C4'-P-C4' energy: -79.159
flat angles P-C4'-P energy: -49.794
tors. eta vs tors. theta energy: -11.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -427.201486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.201486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.201486 (E_RNA)
where:
Base-Base interactions energy: -139.231
where: short stacking energy: -126.353
Base-Backbone interact. energy: -1.895
local terms energy: -286.075349
where:
bonds (distance) C4'-P energy: -80.441
bonds (distance) P-C4' energy: -88.026
flat angles C4'-P-C4' energy: -59.854
flat angles P-C4'-P energy: -47.826
tors. eta vs tors. theta energy: -9.929
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: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -382.699526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.699526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.699526 (E_RNA)
where:
Base-Base interactions energy: -124.503
where: short stacking energy: -105.386
Base-Backbone interact. energy: -1.513
local terms energy: -256.682713
where:
bonds (distance) C4'-P energy: -65.413
bonds (distance) P-C4' energy: -77.769
flat angles C4'-P-C4' energy: -74.204
flat angles P-C4'-P energy: -47.445
tors. eta vs tors. theta energy: 8.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -339.371790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.371790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.371790 (E_RNA)
where:
Base-Base interactions energy: -91.672
where: short stacking energy: -86.814
Base-Backbone interact. energy: 9.746
local terms energy: -257.445777
where:
bonds (distance) C4'-P energy: -80.070
bonds (distance) P-C4' energy: -74.098
flat angles C4'-P-C4' energy: -66.691
flat angles P-C4'-P energy: -51.450
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1223.916283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.916283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.916283 (E_RNA)
where:
Base-Base interactions energy: -740.382
where: short stacking energy: -418.854
Base-Backbone interact. energy: -3.301
local terms energy: -480.233800
where:
bonds (distance) C4'-P energy: -99.116
bonds (distance) P-C4' energy: -87.092
flat angles C4'-P-C4' energy: -106.149
flat angles P-C4'-P energy: -70.045
tors. eta vs tors. theta energy: -117.832
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: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1074.455383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.455383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.455383 (E_RNA)
where:
Base-Base interactions energy: -633.058
where: short stacking energy: -377.906
Base-Backbone interact. energy: -0.608
local terms energy: -440.789240
where:
bonds (distance) C4'-P energy: -87.988
bonds (distance) P-C4' energy: -91.865
flat angles C4'-P-C4' energy: -91.571
flat angles P-C4'-P energy: -61.416
tors. eta vs tors. theta energy: -107.949
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: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -979.745871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.745871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.745871 (E_RNA)
where:
Base-Base interactions energy: -567.067
where: short stacking energy: -363.153
Base-Backbone interact. energy: 1.135
local terms energy: -413.813897
where:
bonds (distance) C4'-P energy: -76.299
bonds (distance) P-C4' energy: -84.545
flat angles C4'-P-C4' energy: -94.672
flat angles P-C4'-P energy: -56.527
tors. eta vs tors. theta energy: -101.770
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: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -825.689755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.689755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.689755 (E_RNA)
where:
Base-Base interactions energy: -445.105
where: short stacking energy: -269.341
Base-Backbone interact. energy: -2.627
local terms energy: -377.958145
where:
bonds (distance) C4'-P energy: -77.647
bonds (distance) P-C4' energy: -94.069
flat angles C4'-P-C4' energy: -88.334
flat angles P-C4'-P energy: -51.624
tors. eta vs tors. theta energy: -66.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -658.148923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.148923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.148923 (E_RNA)
where:
Base-Base interactions energy: -331.009
where: short stacking energy: -217.114
Base-Backbone interact. energy: -0.520
local terms energy: -326.619603
where:
bonds (distance) C4'-P energy: -76.713
bonds (distance) P-C4' energy: -84.131
flat angles C4'-P-C4' energy: -73.393
flat angles P-C4'-P energy: -51.731
tors. eta vs tors. theta energy: -40.652
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: 6, replica: 10
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -514.456482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.456482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.456482 (E_RNA)
where:
Base-Base interactions energy: -210.294
where: short stacking energy: -167.626
Base-Backbone interact. energy: 6.198
local terms energy: -310.360780
where:
bonds (distance) C4'-P energy: -84.081
bonds (distance) P-C4' energy: -81.389
flat angles C4'-P-C4' energy: -78.834
flat angles P-C4'-P energy: -44.344
tors. eta vs tors. theta energy: -21.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -467.656348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.656348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.656348 (E_RNA)
where:
Base-Base interactions energy: -183.618
where: short stacking energy: -153.428
Base-Backbone interact. energy: 0.517
local terms energy: -284.555154
where:
bonds (distance) C4'-P energy: -75.206
bonds (distance) P-C4' energy: -86.269
flat angles C4'-P-C4' energy: -78.789
flat angles P-C4'-P energy: -34.300
tors. eta vs tors. theta energy: -9.991
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: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -401.905873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.905873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.905873 (E_RNA)
where:
Base-Base interactions energy: -138.171
where: short stacking energy: -93.906
Base-Backbone interact. energy: 0.122
local terms energy: -263.856971
where:
bonds (distance) C4'-P energy: -79.164
bonds (distance) P-C4' energy: -78.202
flat angles C4'-P-C4' energy: -73.302
flat angles P-C4'-P energy: -44.429
tors. eta vs tors. theta energy: 11.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -406.584592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.584592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.584592 (E_RNA)
where:
Base-Base interactions energy: -160.844
where: short stacking energy: -123.826
Base-Backbone interact. energy: 1.811
local terms energy: -247.551777
where:
bonds (distance) C4'-P energy: -67.499
bonds (distance) P-C4' energy: -77.936
flat angles C4'-P-C4' energy: -74.486
flat angles P-C4'-P energy: -23.474
tors. eta vs tors. theta energy: -4.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -344.943668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.943668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.943668 (E_RNA)
where:
Base-Base interactions energy: -101.146
where: short stacking energy: -90.477
Base-Backbone interact. energy: 2.360
local terms energy: -246.157713
where:
bonds (distance) C4'-P energy: -77.620
bonds (distance) P-C4' energy: -90.457
flat angles C4'-P-C4' energy: -54.812
flat angles P-C4'-P energy: -30.267
tors. eta vs tors. theta energy: 6.998
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1265.756482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.756482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.756482 (E_RNA)
where:
Base-Base interactions energy: -762.947
where: short stacking energy: -455.788
Base-Backbone interact. energy: -0.633
local terms energy: -502.176676
where:
bonds (distance) C4'-P energy: -95.431
bonds (distance) P-C4' energy: -89.226
flat angles C4'-P-C4' energy: -112.087
flat angles P-C4'-P energy: -69.776
tors. eta vs tors. theta energy: -135.655
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: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1096.956985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.956985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.956985 (E_RNA)
where:
Base-Base interactions energy: -662.823
where: short stacking energy: -412.376
Base-Backbone interact. energy: -1.726
local terms energy: -432.407764
where:
bonds (distance) C4'-P energy: -79.222
bonds (distance) P-C4' energy: -88.819
flat angles C4'-P-C4' energy: -100.352
flat angles P-C4'-P energy: -51.496
tors. eta vs tors. theta energy: -112.518
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: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -987.147148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.147148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.147148 (E_RNA)
where:
Base-Base interactions energy: -576.088
where: short stacking energy: -342.770
Base-Backbone interact. energy: 1.233
local terms energy: -412.292019
where:
bonds (distance) C4'-P energy: -80.514
bonds (distance) P-C4' energy: -102.186
flat angles C4'-P-C4' energy: -83.698
flat angles P-C4'-P energy: -50.416
tors. eta vs tors. theta energy: -95.478
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: 262
Temperature: 1.050000
Total energy: -851.949049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.949049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.949049 (E_RNA)
where:
Base-Base interactions energy: -473.549
where: short stacking energy: -258.294
Base-Backbone interact. energy: -2.067
local terms energy: -376.333335
where:
bonds (distance) C4'-P energy: -79.060
bonds (distance) P-C4' energy: -83.211
flat angles C4'-P-C4' energy: -89.220
flat angles P-C4'-P energy: -62.102
tors. eta vs tors. theta energy: -62.740
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: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -656.574801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.574801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.574801 (E_RNA)
where:
Base-Base interactions energy: -332.071
where: short stacking energy: -205.299
Base-Backbone interact. energy: 0.387
local terms energy: -324.890659
where:
bonds (distance) C4'-P energy: -85.131
bonds (distance) P-C4' energy: -81.192
flat angles C4'-P-C4' energy: -79.841
flat angles P-C4'-P energy: -53.821
tors. eta vs tors. theta energy: -24.905
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: 10
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -470.691344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.691344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.691344 (E_RNA)
where:
Base-Base interactions energy: -151.278
where: short stacking energy: -131.489
Base-Backbone interact. energy: -0.666
local terms energy: -318.747143
where:
bonds (distance) C4'-P energy: -83.752
bonds (distance) P-C4' energy: -101.266
flat angles C4'-P-C4' energy: -74.100
flat angles P-C4'-P energy: -42.449
tors. eta vs tors. theta energy: -17.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -528.242759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.242759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.242759 (E_RNA)
where:
Base-Base interactions energy: -244.737
where: short stacking energy: -162.915
Base-Backbone interact. energy: 1.409
local terms energy: -284.914537
where:
bonds (distance) C4'-P energy: -73.335
bonds (distance) P-C4' energy: -77.064
flat angles C4'-P-C4' energy: -70.242
flat angles P-C4'-P energy: -34.466
tors. eta vs tors. theta energy: -29.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -400.225186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.225186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.225186 (E_RNA)
where:
Base-Base interactions energy: -137.490
where: short stacking energy: -100.185
Base-Backbone interact. energy: 5.381
local terms energy: -268.116228
where:
bonds (distance) C4'-P energy: -78.266
bonds (distance) P-C4' energy: -78.824
flat angles C4'-P-C4' energy: -66.192
flat angles P-C4'-P energy: -47.462
tors. eta vs tors. theta energy: 2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -394.154968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.154968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.154968 (E_RNA)
where:
Base-Base interactions energy: -152.857
where: short stacking energy: -120.823
Base-Backbone interact. energy: 0.656
local terms energy: -241.953327
where:
bonds (distance) C4'-P energy: -70.292
bonds (distance) P-C4' energy: -83.312
flat angles C4'-P-C4' energy: -64.083
flat angles P-C4'-P energy: -34.621
tors. eta vs tors. theta energy: 10.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -372.565708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.565708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.565708 (E_RNA)
where:
Base-Base interactions energy: -99.838
where: short stacking energy: -97.086
Base-Backbone interact. energy: -0.223
local terms energy: -272.504838
where:
bonds (distance) C4'-P energy: -88.023
bonds (distance) P-C4' energy: -91.891
flat angles C4'-P-C4' energy: -65.224
flat angles P-C4'-P energy: -35.967
tors. eta vs tors. theta energy: 8.599
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1240.157586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.157586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.157586 (E_RNA)
where:
Base-Base interactions energy: -748.287
where: short stacking energy: -446.799
Base-Backbone interact. energy: -0.302
local terms energy: -491.568512
where:
bonds (distance) C4'-P energy: -94.947
bonds (distance) P-C4' energy: -91.071
flat angles C4'-P-C4' energy: -102.532
flat angles P-C4'-P energy: -71.767
tors. eta vs tors. theta energy: -131.252
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: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1088.609910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.609910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.609910 (E_RNA)
where:
Base-Base interactions energy: -653.056
where: short stacking energy: -377.674
Base-Backbone interact. energy: 1.066
local terms energy: -436.619551
where:
bonds (distance) C4'-P energy: -87.059
bonds (distance) P-C4' energy: -81.714
flat angles C4'-P-C4' energy: -97.021
flat angles P-C4'-P energy: -60.064
tors. eta vs tors. theta energy: -110.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -955.458060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.458060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.458060 (E_RNA)
where:
Base-Base interactions energy: -530.716
where: short stacking energy: -321.187
Base-Backbone interact. energy: -1.999
local terms energy: -422.743231
where:
bonds (distance) C4'-P energy: -88.555
bonds (distance) P-C4' energy: -88.119
flat angles C4'-P-C4' energy: -84.495
flat angles P-C4'-P energy: -73.031
tors. eta vs tors. theta energy: -88.543
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: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -870.937970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.937970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.937970 (E_RNA)
where:
Base-Base interactions energy: -486.796
where: short stacking energy: -292.163
Base-Backbone interact. energy: 3.063
local terms energy: -387.205368
where:
bonds (distance) C4'-P energy: -88.736
bonds (distance) P-C4' energy: -91.104
flat angles C4'-P-C4' energy: -90.034
flat angles P-C4'-P energy: -45.366
tors. eta vs tors. theta energy: -71.965
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: 263
Temperature: 1.100000
Total energy: -694.813483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.813483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.813483 (E_RNA)
where:
Base-Base interactions energy: -327.794
where: short stacking energy: -213.162
Base-Backbone interact. energy: -1.093
local terms energy: -365.926136
where:
bonds (distance) C4'-P energy: -81.601
bonds (distance) P-C4' energy: -94.713
flat angles C4'-P-C4' energy: -81.990
flat angles P-C4'-P energy: -61.734
tors. eta vs tors. theta energy: -45.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -586.957337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.957337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.957337 (E_RNA)
where:
Base-Base interactions energy: -252.084
where: short stacking energy: -162.465
Base-Backbone interact. energy: 0.852
local terms energy: -335.725695
where:
bonds (distance) C4'-P energy: -87.912
bonds (distance) P-C4' energy: -92.153
flat angles C4'-P-C4' energy: -94.807
flat angles P-C4'-P energy: -46.354
tors. eta vs tors. theta energy: -14.499
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: 7, replica: 10
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -427.622314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.622314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.622314 (E_RNA)
where:
Base-Base interactions energy: -145.315
where: short stacking energy: -116.919
Base-Backbone interact. energy: -1.102
local terms energy: -281.205497
where:
bonds (distance) C4'-P energy: -75.910
bonds (distance) P-C4' energy: -81.396
flat angles C4'-P-C4' energy: -70.197
flat angles P-C4'-P energy: -59.556
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: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -427.377632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.377632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.377632 (E_RNA)
where:
Base-Base interactions energy: -146.925
where: short stacking energy: -139.769
Base-Backbone interact. energy: -0.802
local terms energy: -279.650430
where:
bonds (distance) C4'-P energy: -71.604
bonds (distance) P-C4' energy: -90.058
flat angles C4'-P-C4' energy: -69.416
flat angles P-C4'-P energy: -42.365
tors. eta vs tors. theta energy: -6.208
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: 263
Temperature: 1.300000
Total energy: -370.555185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.555185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.555185 (E_RNA)
where:
Base-Base interactions energy: -120.571
where: short stacking energy: -109.723
Base-Backbone interact. energy: -1.601
local terms energy: -248.382484
where:
bonds (distance) C4'-P energy: -90.144
bonds (distance) P-C4' energy: -83.880
flat angles C4'-P-C4' energy: -52.900
flat angles P-C4'-P energy: -40.776
tors. eta vs tors. theta energy: 19.318
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: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -374.071625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.071625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.071625 (E_RNA)
where:
Base-Base interactions energy: -118.268
where: short stacking energy: -107.924
Base-Backbone interact. energy: 0.690
local terms energy: -256.493492
where:
bonds (distance) C4'-P energy: -78.270
bonds (distance) P-C4' energy: -83.353
flat angles C4'-P-C4' energy: -63.169
flat angles P-C4'-P energy: -40.106
tors. eta vs tors. theta energy: 8.404
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1214.567038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.567038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.567038 (E_RNA)
where:
Base-Base interactions energy: -721.263
where: short stacking energy: -421.801
Base-Backbone interact. energy: 0.621
local terms energy: -493.924830
where:
bonds (distance) C4'-P energy: -95.985
bonds (distance) P-C4' energy: -97.044
flat angles C4'-P-C4' energy: -106.332
flat angles P-C4'-P energy: -74.135
tors. eta vs tors. theta energy: -120.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1064.942886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.942886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.942886 (E_RNA)
where:
Base-Base interactions energy: -622.999
where: short stacking energy: -343.089
Base-Backbone interact. energy: -1.990
local terms energy: -439.953773
where:
bonds (distance) C4'-P energy: -92.870
bonds (distance) P-C4' energy: -95.285
flat angles C4'-P-C4' energy: -92.893
flat angles P-C4'-P energy: -72.515
tors. eta vs tors. theta energy: -86.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -938.248085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.248085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.248085 (E_RNA)
where:
Base-Base interactions energy: -509.507
where: short stacking energy: -311.469
Base-Backbone interact. energy: -0.166
local terms energy: -428.575071
where:
bonds (distance) C4'-P energy: -81.064
bonds (distance) P-C4' energy: -99.067
flat angles C4'-P-C4' energy: -101.688
flat angles P-C4'-P energy: -66.521
tors. eta vs tors. theta energy: -80.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -882.010457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.010457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.010457 (E_RNA)
where:
Base-Base interactions energy: -518.265
where: short stacking energy: -300.873
Base-Backbone interact. energy: 1.043
local terms energy: -364.788677
where:
bonds (distance) C4'-P energy: -75.991
bonds (distance) P-C4' energy: -85.409
flat angles C4'-P-C4' energy: -82.240
flat angles P-C4'-P energy: -59.127
tors. eta vs tors. theta energy: -62.022
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: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -642.535553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.535553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.535553 (E_RNA)
where:
Base-Base interactions energy: -305.620
where: short stacking energy: -205.807
Base-Backbone interact. energy: -1.111
local terms energy: -335.804756
where:
bonds (distance) C4'-P energy: -93.017
bonds (distance) P-C4' energy: -78.754
flat angles C4'-P-C4' energy: -89.423
flat angles P-C4'-P energy: -46.046
tors. eta vs tors. theta energy: -28.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -573.525189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.525189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.525189 (E_RNA)
where:
Base-Base interactions energy: -267.484
where: short stacking energy: -168.884
Base-Backbone interact. energy: 0.326
local terms energy: -306.367878
where:
bonds (distance) C4'-P energy: -81.350
bonds (distance) P-C4' energy: -73.044
flat angles C4'-P-C4' energy: -78.235
flat angles P-C4'-P energy: -49.497
tors. eta vs tors. theta energy: -24.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -457.333770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.333770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.333770 (E_RNA)
where:
Base-Base interactions energy: -187.596
where: short stacking energy: -139.219
Base-Backbone interact. energy: -0.215
local terms energy: -269.522793
where:
bonds (distance) C4'-P energy: -67.381
bonds (distance) P-C4' energy: -94.417
flat angles C4'-P-C4' energy: -61.563
flat angles P-C4'-P energy: -44.898
tors. eta vs tors. theta energy: -1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -417.224990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.224990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.224990 (E_RNA)
where:
Base-Base interactions energy: -137.922
where: short stacking energy: -132.255
Base-Backbone interact. energy: -1.049
local terms energy: -278.253668
where:
bonds (distance) C4'-P energy: -87.864
bonds (distance) P-C4' energy: -79.883
flat angles C4'-P-C4' energy: -60.338
flat angles P-C4'-P energy: -50.878
tors. eta vs tors. theta energy: 0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -389.028674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.028674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.028674 (E_RNA)
where:
Base-Base interactions energy: -143.464
where: short stacking energy: -123.983
Base-Backbone interact. energy: 1.799
local terms energy: -247.363276
where:
bonds (distance) C4'-P energy: -69.142
bonds (distance) P-C4' energy: -86.436
flat angles C4'-P-C4' energy: -64.844
flat angles P-C4'-P energy: -27.841
tors. eta vs tors. theta energy: 0.900
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: 1
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -362.609137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.609137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.609137 (E_RNA)
where:
Base-Base interactions energy: -108.614
where: short stacking energy: -93.681
Base-Backbone interact. energy: -0.458
local terms energy: -253.537827
where:
bonds (distance) C4'-P energy: -84.107
bonds (distance) P-C4' energy: -82.667
flat angles C4'-P-C4' energy: -69.387
flat angles P-C4'-P energy: -28.530
tors. eta vs tors. theta energy: 11.153
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1227.092896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.092896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.092896 (E_RNA)
where:
Base-Base interactions energy: -738.943
where: short stacking energy: -432.477
Base-Backbone interact. energy: -1.027
local terms energy: -487.122656
where:
bonds (distance) C4'-P energy: -89.085
bonds (distance) P-C4' energy: -98.057
flat angles C4'-P-C4' energy: -102.162
flat angles P-C4'-P energy: -74.404
tors. eta vs tors. theta energy: -123.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1032.022361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.022361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.022361 (E_RNA)
where:
Base-Base interactions energy: -586.041
where: short stacking energy: -359.591
Base-Backbone interact. energy: -0.088
local terms energy: -445.893980
where:
bonds (distance) C4'-P energy: -95.939
bonds (distance) P-C4' energy: -91.337
flat angles C4'-P-C4' energy: -96.414
flat angles P-C4'-P energy: -69.151
tors. eta vs tors. theta energy: -93.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -961.714270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.714270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.714270 (E_RNA)
where:
Base-Base interactions energy: -551.921
where: short stacking energy: -319.310
Base-Backbone interact. energy: -2.079
local terms energy: -407.714045
where:
bonds (distance) C4'-P energy: -88.839
bonds (distance) P-C4' energy: -93.766
flat angles C4'-P-C4' energy: -89.162
flat angles P-C4'-P energy: -51.925
tors. eta vs tors. theta energy: -84.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -833.773875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.773875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.773875 (E_RNA)
where:
Base-Base interactions energy: -466.298
where: short stacking energy: -265.450
Base-Backbone interact. energy: -1.162
local terms energy: -366.314173
where:
bonds (distance) C4'-P energy: -89.338
bonds (distance) P-C4' energy: -87.523
flat angles C4'-P-C4' energy: -87.940
flat angles P-C4'-P energy: -44.028
tors. eta vs tors. theta energy: -57.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -671.024812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.024812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.024812 (E_RNA)
where:
Base-Base interactions energy: -332.424
where: short stacking energy: -226.384
Base-Backbone interact. energy: -2.002
local terms energy: -336.599340
where:
bonds (distance) C4'-P energy: -79.291
bonds (distance) P-C4' energy: -89.989
flat angles C4'-P-C4' energy: -75.161
flat angles P-C4'-P energy: -48.395
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: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -518.698462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.698462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.698462 (E_RNA)
where:
Base-Base interactions energy: -200.315
where: short stacking energy: -147.273
Base-Backbone interact. energy: 2.847
local terms energy: -321.231050
where:
bonds (distance) C4'-P energy: -86.817
bonds (distance) P-C4' energy: -98.725
flat angles C4'-P-C4' energy: -83.323
flat angles P-C4'-P energy: -46.297
tors. eta vs tors. theta energy: -6.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -477.918270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.918270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.918270 (E_RNA)
where:
Base-Base interactions energy: -177.185
where: short stacking energy: -148.997
Base-Backbone interact. energy: 1.534
local terms energy: -302.268061
where:
bonds (distance) C4'-P energy: -76.279
bonds (distance) P-C4' energy: -88.992
flat angles C4'-P-C4' energy: -83.706
flat angles P-C4'-P energy: -34.845
tors. eta vs tors. theta energy: -18.447
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: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -442.338537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.338537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.338537 (E_RNA)
where:
Base-Base interactions energy: -180.603
where: short stacking energy: -127.902
Base-Backbone interact. energy: -0.939
local terms energy: -260.796738
where:
bonds (distance) C4'-P energy: -75.971
bonds (distance) P-C4' energy: -75.968
flat angles C4'-P-C4' energy: -65.813
flat angles P-C4'-P energy: -39.290
tors. eta vs tors. theta energy: -3.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -364.692796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.692796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.692796 (E_RNA)
where:
Base-Base interactions energy: -133.520
where: short stacking energy: -101.963
Base-Backbone interact. energy: 1.328
local terms energy: -232.501028
where:
bonds (distance) C4'-P energy: -73.516
bonds (distance) P-C4' energy: -75.939
flat angles C4'-P-C4' energy: -52.497
flat angles P-C4'-P energy: -45.051
tors. eta vs tors. theta energy: 14.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -370.875333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.875333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.875333 (E_RNA)
where:
Base-Base interactions energy: -138.247
where: short stacking energy: -88.531
Base-Backbone interact. energy: 3.592
local terms energy: -236.220043
where:
bonds (distance) C4'-P energy: -66.855
bonds (distance) P-C4' energy: -81.219
flat angles C4'-P-C4' energy: -76.203
flat angles P-C4'-P energy: -40.294
tors. eta vs tors. theta energy: 28.351
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1249.058919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.058919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.058919 (E_RNA)
where:
Base-Base interactions energy: -772.191
where: short stacking energy: -452.409
Base-Backbone interact. energy: -0.607
local terms energy: -476.261487
where:
bonds (distance) C4'-P energy: -85.905
bonds (distance) P-C4' energy: -94.326
flat angles C4'-P-C4' energy: -104.016
flat angles P-C4'-P energy: -62.755
tors. eta vs tors. theta energy: -129.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1058.248141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.248141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.248141 (E_RNA)
where:
Base-Base interactions energy: -602.759
where: short stacking energy: -369.502
Base-Backbone interact. energy: -1.094
local terms energy: -454.395254
where:
bonds (distance) C4'-P energy: -80.118
bonds (distance) P-C4' energy: -91.748
flat angles C4'-P-C4' energy: -98.574
flat angles P-C4'-P energy: -69.704
tors. eta vs tors. theta energy: -114.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -931.215553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.215553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.215553 (E_RNA)
where:
Base-Base interactions energy: -513.124
where: short stacking energy: -326.323
Base-Backbone interact. energy: -0.688
local terms energy: -417.404294
where:
bonds (distance) C4'-P energy: -90.331
bonds (distance) P-C4' energy: -96.523
flat angles C4'-P-C4' energy: -94.150
flat angles P-C4'-P energy: -46.272
tors. eta vs tors. theta energy: -90.128
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: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -817.529550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.529550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.529550 (E_RNA)
where:
Base-Base interactions energy: -460.241
where: short stacking energy: -267.017
Base-Backbone interact. energy: -2.114
local terms energy: -355.174859
where:
bonds (distance) C4'-P energy: -78.809
bonds (distance) P-C4' energy: -86.879
flat angles C4'-P-C4' energy: -84.386
flat angles P-C4'-P energy: -46.113
tors. eta vs tors. theta energy: -58.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -670.333826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.333826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.333826 (E_RNA)
where:
Base-Base interactions energy: -333.127
where: short stacking energy: -225.281
Base-Backbone interact. energy: -1.409
local terms energy: -335.797318
where:
bonds (distance) C4'-P energy: -88.973
bonds (distance) P-C4' energy: -87.290
flat angles C4'-P-C4' energy: -69.364
flat angles P-C4'-P energy: -49.957
tors. eta vs tors. theta energy: -40.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -528.863915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.863915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.863915 (E_RNA)
where:
Base-Base interactions energy: -226.098
where: short stacking energy: -169.750
Base-Backbone interact. energy: -1.624
local terms energy: -301.142580
where:
bonds (distance) C4'-P energy: -85.759
bonds (distance) P-C4' energy: -86.120
flat angles C4'-P-C4' energy: -75.583
flat angles P-C4'-P energy: -41.435
tors. eta vs tors. theta energy: -12.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -449.952980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.952980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.952980 (E_RNA)
where:
Base-Base interactions energy: -153.363
where: short stacking energy: -138.953
Base-Backbone interact. energy: -1.360
local terms energy: -295.229230
where:
bonds (distance) C4'-P energy: -78.700
bonds (distance) P-C4' energy: -87.268
flat angles C4'-P-C4' energy: -81.657
flat angles P-C4'-P energy: -41.789
tors. eta vs tors. theta energy: -5.815
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: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -429.820721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.820721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.820721 (E_RNA)
where:
Base-Base interactions energy: -152.128
where: short stacking energy: -116.322
Base-Backbone interact. energy: 2.172
local terms energy: -279.864649
where:
bonds (distance) C4'-P energy: -77.558
bonds (distance) P-C4' energy: -87.041
flat angles C4'-P-C4' energy: -70.826
flat angles P-C4'-P energy: -39.848
tors. eta vs tors. theta energy: -4.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -404.145604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.145604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.145604 (E_RNA)
where:
Base-Base interactions energy: -138.107
where: short stacking energy: -107.908
Base-Backbone interact. energy: -1.252
local terms energy: -264.787313
where:
bonds (distance) C4'-P energy: -79.389
bonds (distance) P-C4' energy: -82.220
flat angles C4'-P-C4' energy: -83.620
flat angles P-C4'-P energy: -33.034
tors. eta vs tors. theta energy: 13.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -332.322168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.322168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.322168 (E_RNA)
where:
Base-Base interactions energy: -110.599
where: short stacking energy: -104.662
Base-Backbone interact. energy: 3.824
local terms energy: -225.547141
where:
bonds (distance) C4'-P energy: -55.033
bonds (distance) P-C4' energy: -88.511
flat angles C4'-P-C4' energy: -61.085
flat angles P-C4'-P energy: -39.798
tors. eta vs tors. theta energy: 18.880
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1207.614946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.614946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.614946 (E_RNA)
where:
Base-Base interactions energy: -727.012
where: short stacking energy: -421.035
Base-Backbone interact. energy: -2.620
local terms energy: -477.982701
where:
bonds (distance) C4'-P energy: -88.335
bonds (distance) P-C4' energy: -96.596
flat angles C4'-P-C4' energy: -94.173
flat angles P-C4'-P energy: -75.062
tors. eta vs tors. theta energy: -123.817
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: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1046.019479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.019479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.019479 (E_RNA)
where:
Base-Base interactions energy: -604.781
where: short stacking energy: -362.387
Base-Backbone interact. energy: -2.255
local terms energy: -438.984022
where:
bonds (distance) C4'-P energy: -79.932
bonds (distance) P-C4' energy: -89.570
flat angles C4'-P-C4' energy: -106.753
flat angles P-C4'-P energy: -65.166
tors. eta vs tors. theta energy: -97.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -949.201424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.201424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.201424 (E_RNA)
where:
Base-Base interactions energy: -524.325
where: short stacking energy: -305.443
Base-Backbone interact. energy: -0.825
local terms energy: -424.052264
where:
bonds (distance) C4'-P energy: -90.916
bonds (distance) P-C4' energy: -99.191
flat angles C4'-P-C4' energy: -84.757
flat angles P-C4'-P energy: -65.056
tors. eta vs tors. theta energy: -84.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -891.414321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.414321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.414321 (E_RNA)
where:
Base-Base interactions energy: -491.749
where: short stacking energy: -287.215
Base-Backbone interact. energy: 0.093
local terms energy: -399.758537
where:
bonds (distance) C4'-P energy: -80.142
bonds (distance) P-C4' energy: -87.101
flat angles C4'-P-C4' energy: -95.547
flat angles P-C4'-P energy: -56.927
tors. eta vs tors. theta energy: -80.041
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: 3
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -668.090261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.090261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.090261 (E_RNA)
where:
Base-Base interactions energy: -320.813
where: short stacking energy: -214.646
Base-Backbone interact. energy: 5.112
local terms energy: -352.390095
where:
bonds (distance) C4'-P energy: -85.903
bonds (distance) P-C4' energy: -89.230
flat angles C4'-P-C4' energy: -84.940
flat angles P-C4'-P energy: -65.319
tors. eta vs tors. theta energy: -26.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -537.774788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.774788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.774788 (E_RNA)
where:
Base-Base interactions energy: -246.531
where: short stacking energy: -191.087
Base-Backbone interact. energy: 2.028
local terms energy: -293.271690
where:
bonds (distance) C4'-P energy: -77.874
bonds (distance) P-C4' energy: -68.325
flat angles C4'-P-C4' energy: -80.404
flat angles P-C4'-P energy: -50.765
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -466.312085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.312085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.312085 (E_RNA)
where:
Base-Base interactions energy: -169.074
where: short stacking energy: -161.213
Base-Backbone interact. energy: -0.744
local terms energy: -296.494533
where:
bonds (distance) C4'-P energy: -90.792
bonds (distance) P-C4' energy: -76.260
flat angles C4'-P-C4' energy: -67.617
flat angles P-C4'-P energy: -34.620
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: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -415.731294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.731294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.731294 (E_RNA)
where:
Base-Base interactions energy: -145.506
where: short stacking energy: -118.046
Base-Backbone interact. energy: -0.749
local terms energy: -269.476619
where:
bonds (distance) C4'-P energy: -70.800
bonds (distance) P-C4' energy: -70.158
flat angles C4'-P-C4' energy: -71.619
flat angles P-C4'-P energy: -53.438
tors. eta vs tors. theta energy: -3.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -389.439526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.439526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.439526 (E_RNA)
where:
Base-Base interactions energy: -119.714
where: short stacking energy: -116.250
Base-Backbone interact. energy: 4.315
local terms energy: -274.040655
where:
bonds (distance) C4'-P energy: -77.448
bonds (distance) P-C4' energy: -86.886
flat angles C4'-P-C4' energy: -68.294
flat angles P-C4'-P energy: -50.682
tors. eta vs tors. theta energy: 9.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -340.447296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.447296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.447296 (E_RNA)
where:
Base-Base interactions energy: -107.992
where: short stacking energy: -91.153
Base-Backbone interact. energy: -2.465
local terms energy: -229.990170
where:
bonds (distance) C4'-P energy: -65.818
bonds (distance) P-C4' energy: -91.538
flat angles C4'-P-C4' energy: -54.739
flat angles P-C4'-P energy: -35.972
tors. eta vs tors. theta energy: 18.077
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1236.880638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.880638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.880638 (E_RNA)
where:
Base-Base interactions energy: -737.592
where: short stacking energy: -418.555
Base-Backbone interact. energy: -2.564
local terms energy: -496.725593
where:
bonds (distance) C4'-P energy: -88.139
bonds (distance) P-C4' energy: -102.025
flat angles C4'-P-C4' energy: -105.593
flat angles P-C4'-P energy: -72.640
tors. eta vs tors. theta energy: -128.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1068.826105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.826105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.826105 (E_RNA)
where:
Base-Base interactions energy: -611.017
where: short stacking energy: -351.680
Base-Backbone interact. energy: -1.190
local terms energy: -456.618867
where:
bonds (distance) C4'-P energy: -84.423
bonds (distance) P-C4' energy: -94.333
flat angles C4'-P-C4' energy: -101.023
flat angles P-C4'-P energy: -72.222
tors. eta vs tors. theta energy: -104.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -940.926460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.926460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.926460 (E_RNA)
where:
Base-Base interactions energy: -511.393
where: short stacking energy: -306.399
Base-Backbone interact. energy: 1.759
local terms energy: -431.292922
where:
bonds (distance) C4'-P energy: -91.681
bonds (distance) P-C4' energy: -98.033
flat angles C4'-P-C4' energy: -91.768
flat angles P-C4'-P energy: -67.276
tors. eta vs tors. theta energy: -82.535
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: 268
Temperature: 1.050000
Total energy: -820.751567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.751567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.751567 (E_RNA)
where:
Base-Base interactions energy: -446.653
where: short stacking energy: -267.384
Base-Backbone interact. energy: -0.646
local terms energy: -373.452757
where:
bonds (distance) C4'-P energy: -83.015
bonds (distance) P-C4' energy: -90.454
flat angles C4'-P-C4' energy: -84.895
flat angles P-C4'-P energy: -58.944
tors. eta vs tors. theta energy: -56.145
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: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -658.597587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.597587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.597587 (E_RNA)
where:
Base-Base interactions energy: -324.762
where: short stacking energy: -194.903
Base-Backbone interact. energy: -2.562
local terms energy: -331.273715
where:
bonds (distance) C4'-P energy: -73.267
bonds (distance) P-C4' energy: -92.325
flat angles C4'-P-C4' energy: -86.168
flat angles P-C4'-P energy: -55.505
tors. eta vs tors. theta energy: -24.008
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: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -559.291728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.291728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.291728 (E_RNA)
where:
Base-Base interactions energy: -239.756
where: short stacking energy: -172.143
Base-Backbone interact. energy: -3.279
local terms energy: -316.256283
where:
bonds (distance) C4'-P energy: -84.209
bonds (distance) P-C4' energy: -78.545
flat angles C4'-P-C4' energy: -82.000
flat angles P-C4'-P energy: -48.520
tors. eta vs tors. theta energy: -22.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -438.530081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.530081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.530081 (E_RNA)
where:
Base-Base interactions energy: -147.454
where: short stacking energy: -118.122
Base-Backbone interact. energy: 3.379
local terms energy: -294.455342
where:
bonds (distance) C4'-P energy: -75.210
bonds (distance) P-C4' energy: -79.881
flat angles C4'-P-C4' energy: -70.331
flat angles P-C4'-P energy: -62.436
tors. eta vs tors. theta energy: -6.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -407.755977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.755977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.755977 (E_RNA)
where:
Base-Base interactions energy: -129.411
where: short stacking energy: -110.372
Base-Backbone interact. energy: -0.684
local terms energy: -277.661008
where:
bonds (distance) C4'-P energy: -83.261
bonds (distance) P-C4' energy: -77.040
flat angles C4'-P-C4' energy: -74.734
flat angles P-C4'-P energy: -42.067
tors. eta vs tors. theta energy: -0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -376.054165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.054165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.054165 (E_RNA)
where:
Base-Base interactions energy: -123.711
where: short stacking energy: -109.402
Base-Backbone interact. energy: -0.085
local terms energy: -252.257359
where:
bonds (distance) C4'-P energy: -86.177
bonds (distance) P-C4' energy: -75.847
flat angles C4'-P-C4' energy: -61.588
flat angles P-C4'-P energy: -41.205
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: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -335.792379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.792379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.792379 (E_RNA)
where:
Base-Base interactions energy: -111.722
where: short stacking energy: -95.056
Base-Backbone interact. energy: -1.533
local terms energy: -222.537121
where:
bonds (distance) C4'-P energy: -71.023
bonds (distance) P-C4' energy: -87.594
flat angles C4'-P-C4' energy: -61.306
flat angles P-C4'-P energy: -26.914
tors. eta vs tors. theta energy: 24.300
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1250.403028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.403028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.403028 (E_RNA)
where:
Base-Base interactions energy: -764.017
where: short stacking energy: -425.091
Base-Backbone interact. energy: 0.718
local terms energy: -487.103615
where:
bonds (distance) C4'-P energy: -83.783
bonds (distance) P-C4' energy: -93.508
flat angles C4'-P-C4' energy: -114.126
flat angles P-C4'-P energy: -74.996
tors. eta vs tors. theta energy: -120.691
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: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1116.761480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.761480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.761480 (E_RNA)
where:
Base-Base interactions energy: -657.453
where: short stacking energy: -405.970
Base-Backbone interact. energy: -0.912
local terms energy: -458.396165
where:
bonds (distance) C4'-P energy: -92.194
bonds (distance) P-C4' energy: -87.396
flat angles C4'-P-C4' energy: -89.077
flat angles P-C4'-P energy: -66.503
tors. eta vs tors. theta energy: -123.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -946.267104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.267104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.267104 (E_RNA)
where:
Base-Base interactions energy: -518.190
where: short stacking energy: -314.402
Base-Backbone interact. energy: -1.190
local terms energy: -426.886675
where:
bonds (distance) C4'-P energy: -95.669
bonds (distance) P-C4' energy: -96.328
flat angles C4'-P-C4' energy: -98.127
flat angles P-C4'-P energy: -60.452
tors. eta vs tors. theta energy: -76.310
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: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -804.058660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.058660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.058660 (E_RNA)
where:
Base-Base interactions energy: -428.188
where: short stacking energy: -260.108
Base-Backbone interact. energy: -2.126
local terms energy: -373.743925
where:
bonds (distance) C4'-P energy: -83.520
bonds (distance) P-C4' energy: -93.016
flat angles C4'-P-C4' energy: -85.518
flat angles P-C4'-P energy: -50.218
tors. eta vs tors. theta energy: -61.472
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: 269
Temperature: 1.100000
Total energy: -678.764623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.764623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.764623 (E_RNA)
where:
Base-Base interactions energy: -325.755
where: short stacking energy: -231.329
Base-Backbone interact. energy: -1.945
local terms energy: -351.064374
where:
bonds (distance) C4'-P energy: -90.341
bonds (distance) P-C4' energy: -80.813
flat angles C4'-P-C4' energy: -89.449
flat angles P-C4'-P energy: -56.550
tors. eta vs tors. theta energy: -33.912
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: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -572.300420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.300420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.300420 (E_RNA)
where:
Base-Base interactions energy: -267.742
where: short stacking energy: -190.960
Base-Backbone interact. energy: -2.217
local terms energy: -302.341228
where:
bonds (distance) C4'-P energy: -71.719
bonds (distance) P-C4' energy: -68.264
flat angles C4'-P-C4' energy: -85.549
flat angles P-C4'-P energy: -48.432
tors. eta vs tors. theta energy: -28.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -523.262190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.262190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.262190 (E_RNA)
where:
Base-Base interactions energy: -207.913
where: short stacking energy: -175.339
Base-Backbone interact. energy: 1.033
local terms energy: -316.382546
where:
bonds (distance) C4'-P energy: -96.946
bonds (distance) P-C4' energy: -81.647
flat angles C4'-P-C4' energy: -76.366
flat angles P-C4'-P energy: -49.464
tors. eta vs tors. theta energy: -11.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -415.145941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.145941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.145941 (E_RNA)
where:
Base-Base interactions energy: -144.054
where: short stacking energy: -119.858
Base-Backbone interact. energy: -3.045
local terms energy: -268.046942
where:
bonds (distance) C4'-P energy: -60.837
bonds (distance) P-C4' energy: -82.420
flat angles C4'-P-C4' energy: -82.501
flat angles P-C4'-P energy: -37.136
tors. eta vs tors. theta energy: -5.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -404.893903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.893903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.893903 (E_RNA)
where:
Base-Base interactions energy: -126.159
where: short stacking energy: -121.571
Base-Backbone interact. energy: -2.512
local terms energy: -276.223413
where:
bonds (distance) C4'-P energy: -78.520
bonds (distance) P-C4' energy: -82.849
flat angles C4'-P-C4' energy: -71.812
flat angles P-C4'-P energy: -51.091
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: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -374.891201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.891201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.891201 (E_RNA)
where:
Base-Base interactions energy: -114.704
where: short stacking energy: -105.099
Base-Backbone interact. energy: -1.195
local terms energy: -258.991815
where:
bonds (distance) C4'-P energy: -78.814
bonds (distance) P-C4' energy: -84.937
flat angles C4'-P-C4' energy: -67.911
flat angles P-C4'-P energy: -28.749
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1207.566145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.566145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.566145 (E_RNA)
where:
Base-Base interactions energy: -734.020
where: short stacking energy: -419.347
Base-Backbone interact. energy: 1.462
local terms energy: -475.008213
where:
bonds (distance) C4'-P energy: -90.624
bonds (distance) P-C4' energy: -99.546
flat angles C4'-P-C4' energy: -99.293
flat angles P-C4'-P energy: -70.863
tors. eta vs tors. theta energy: -114.682
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: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1133.346148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.346148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.346148 (E_RNA)
where:
Base-Base interactions energy: -676.352
where: short stacking energy: -384.839
Base-Backbone interact. energy: 0.106
local terms energy: -457.100547
where:
bonds (distance) C4'-P energy: -82.699
bonds (distance) P-C4' energy: -94.069
flat angles C4'-P-C4' energy: -97.074
flat angles P-C4'-P energy: -63.618
tors. eta vs tors. theta energy: -119.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -961.917860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.917860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.917860 (E_RNA)
where:
Base-Base interactions energy: -535.669
where: short stacking energy: -315.091
Base-Backbone interact. energy: 0.712
local terms energy: -426.961562
where:
bonds (distance) C4'-P energy: -96.978
bonds (distance) P-C4' energy: -95.092
flat angles C4'-P-C4' energy: -81.147
flat angles P-C4'-P energy: -74.168
tors. eta vs tors. theta energy: -79.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -823.692963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.692963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.692963 (E_RNA)
where:
Base-Base interactions energy: -444.445
where: short stacking energy: -270.446
Base-Backbone interact. energy: 0.211
local terms energy: -379.458820
where:
bonds (distance) C4'-P energy: -76.339
bonds (distance) P-C4' energy: -82.318
flat angles C4'-P-C4' energy: -93.247
flat angles P-C4'-P energy: -59.478
tors. eta vs tors. theta energy: -68.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -678.330780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.330780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.330780 (E_RNA)
where:
Base-Base interactions energy: -315.372
where: short stacking energy: -204.705
Base-Backbone interact. energy: 1.572
local terms energy: -364.530363
where:
bonds (distance) C4'-P energy: -83.556
bonds (distance) P-C4' energy: -104.351
flat angles C4'-P-C4' energy: -87.906
flat angles P-C4'-P energy: -62.226
tors. eta vs tors. theta energy: -26.491
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: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -550.952393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.952393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.952393 (E_RNA)
where:
Base-Base interactions energy: -219.740
where: short stacking energy: -155.623
Base-Backbone interact. energy: -1.929
local terms energy: -329.283623
where:
bonds (distance) C4'-P energy: -91.112
bonds (distance) P-C4' energy: -89.024
flat angles C4'-P-C4' energy: -71.762
flat angles P-C4'-P energy: -49.019
tors. eta vs tors. theta energy: -28.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -489.622671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.622671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.622671 (E_RNA)
where:
Base-Base interactions energy: -202.380
where: short stacking energy: -182.182
Base-Backbone interact. energy: 4.295
local terms energy: -291.537797
where:
bonds (distance) C4'-P energy: -73.744
bonds (distance) P-C4' energy: -72.249
flat angles C4'-P-C4' energy: -78.855
flat angles P-C4'-P energy: -45.033
tors. eta vs tors. theta energy: -21.656
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: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -415.605153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.605153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.605153 (E_RNA)
where:
Base-Base interactions energy: -145.864
where: short stacking energy: -124.917
Base-Backbone interact. energy: -0.825
local terms energy: -268.915758
where:
bonds (distance) C4'-P energy: -76.996
bonds (distance) P-C4' energy: -80.003
flat angles C4'-P-C4' energy: -78.187
flat angles P-C4'-P energy: -40.213
tors. eta vs tors. theta energy: 6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -408.349519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.349519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.349519 (E_RNA)
where:
Base-Base interactions energy: -157.082
where: short stacking energy: -123.293
Base-Backbone interact. energy: -0.196
local terms energy: -251.071502
where:
bonds (distance) C4'-P energy: -67.899
bonds (distance) P-C4' energy: -80.635
flat angles C4'-P-C4' energy: -68.051
flat angles P-C4'-P energy: -35.562
tors. eta vs tors. theta energy: 1.075
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: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -376.841541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.841541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.841541 (E_RNA)
where:
Base-Base interactions energy: -140.441
where: short stacking energy: -110.346
Base-Backbone interact. energy: 0.086
local terms energy: -236.486061
where:
bonds (distance) C4'-P energy: -72.554
bonds (distance) P-C4' energy: -73.288
flat angles C4'-P-C4' energy: -68.389
flat angles P-C4'-P energy: -39.788
tors. eta vs tors. theta energy: 17.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1234.642451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.642451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.642451 (E_RNA)
where:
Base-Base interactions energy: -757.960
where: short stacking energy: -438.995
Base-Backbone interact. energy: -1.131
local terms energy: -475.551233
where:
bonds (distance) C4'-P energy: -84.521
bonds (distance) P-C4' energy: -94.302
flat angles C4'-P-C4' energy: -92.254
flat angles P-C4'-P energy: -74.104
tors. eta vs tors. theta energy: -130.370
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: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1070.186156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.186156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.186156 (E_RNA)
where:
Base-Base interactions energy: -644.618
where: short stacking energy: -349.288
Base-Backbone interact. energy: -1.952
local terms energy: -423.615815
where:
bonds (distance) C4'-P energy: -80.070
bonds (distance) P-C4' energy: -83.425
flat angles C4'-P-C4' energy: -100.333
flat angles P-C4'-P energy: -59.881
tors. eta vs tors. theta energy: -99.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -999.921687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.921687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.921687 (E_RNA)
where:
Base-Base interactions energy: -576.442
where: short stacking energy: -360.080
Base-Backbone interact. energy: -0.825
local terms energy: -422.654708
where:
bonds (distance) C4'-P energy: -87.434
bonds (distance) P-C4' energy: -87.510
flat angles C4'-P-C4' energy: -82.238
flat angles P-C4'-P energy: -60.894
tors. eta vs tors. theta energy: -104.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -834.181287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.181287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.181287 (E_RNA)
where:
Base-Base interactions energy: -450.357
where: short stacking energy: -292.545
Base-Backbone interact. energy: -0.617
local terms energy: -383.207206
where:
bonds (distance) C4'-P energy: -75.884
bonds (distance) P-C4' energy: -95.667
flat angles C4'-P-C4' energy: -83.125
flat angles P-C4'-P energy: -58.780
tors. eta vs tors. theta energy: -69.751
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: 271
Temperature: 1.100000
Total energy: -731.209537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.209537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.209537 (E_RNA)
where:
Base-Base interactions energy: -349.050
where: short stacking energy: -240.400
Base-Backbone interact. energy: -1.434
local terms energy: -380.725575
where:
bonds (distance) C4'-P energy: -84.129
bonds (distance) P-C4' energy: -96.239
flat angles C4'-P-C4' energy: -81.341
flat angles P-C4'-P energy: -59.383
tors. eta vs tors. theta energy: -59.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -558.920674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.920674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.920674 (E_RNA)
where:
Base-Base interactions energy: -264.845
where: short stacking energy: -184.965
Base-Backbone interact. energy: -1.635
local terms energy: -292.441495
where:
bonds (distance) C4'-P energy: -73.421
bonds (distance) P-C4' energy: -74.850
flat angles C4'-P-C4' energy: -76.392
flat angles P-C4'-P energy: -50.631
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -514.734001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.734001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.734001 (E_RNA)
where:
Base-Base interactions energy: -209.977
where: short stacking energy: -145.171
Base-Backbone interact. energy: -2.216
local terms energy: -302.540960
where:
bonds (distance) C4'-P energy: -62.738
bonds (distance) P-C4' energy: -91.335
flat angles C4'-P-C4' energy: -79.603
flat angles P-C4'-P energy: -53.161
tors. eta vs tors. theta energy: -15.704
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: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -435.375409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.375409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.375409 (E_RNA)
where:
Base-Base interactions energy: -169.837
where: short stacking energy: -128.971
Base-Backbone interact. energy: -1.179
local terms energy: -264.359486
where:
bonds (distance) C4'-P energy: -71.896
bonds (distance) P-C4' energy: -78.579
flat angles C4'-P-C4' energy: -61.419
flat angles P-C4'-P energy: -52.905
tors. eta vs tors. theta energy: 0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -371.709297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.709297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.709297 (E_RNA)
where:
Base-Base interactions energy: -110.527
where: short stacking energy: -98.393
Base-Backbone interact. energy: 1.518
local terms energy: -262.700957
where:
bonds (distance) C4'-P energy: -81.531
bonds (distance) P-C4' energy: -87.889
flat angles C4'-P-C4' energy: -74.917
flat angles P-C4'-P energy: -32.081
tors. eta vs tors. theta energy: 13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -377.062323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.062323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.062323 (E_RNA)
where:
Base-Base interactions energy: -143.386
where: short stacking energy: -103.028
Base-Backbone interact. energy: -0.772
local terms energy: -232.904523
where:
bonds (distance) C4'-P energy: -84.319
bonds (distance) P-C4' energy: -66.239
flat angles C4'-P-C4' energy: -66.928
flat angles P-C4'-P energy: -28.942
tors. eta vs tors. theta energy: 13.523
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1222.031006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.031006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.031006 (E_RNA)
where:
Base-Base interactions energy: -742.889
where: short stacking energy: -399.423
Base-Backbone interact. energy: -0.157
local terms energy: -478.985455
where:
bonds (distance) C4'-P energy: -80.717
bonds (distance) P-C4' energy: -91.080
flat angles C4'-P-C4' energy: -112.777
flat angles P-C4'-P energy: -75.132
tors. eta vs tors. theta energy: -119.281
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: 8
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1084.983426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.983426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.983426 (E_RNA)
where:
Base-Base interactions energy: -637.116
where: short stacking energy: -380.798
Base-Backbone interact. energy: -1.400
local terms energy: -446.467176
where:
bonds (distance) C4'-P energy: -80.473
bonds (distance) P-C4' energy: -96.659
flat angles C4'-P-C4' energy: -102.363
flat angles P-C4'-P energy: -64.628
tors. eta vs tors. theta energy: -102.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -992.152744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.152744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.152744 (E_RNA)
where:
Base-Base interactions energy: -536.551
where: short stacking energy: -358.174
Base-Backbone interact. energy: -0.504
local terms energy: -455.098069
where:
bonds (distance) C4'-P energy: -88.189
bonds (distance) P-C4' energy: -93.952
flat angles C4'-P-C4' energy: -106.310
flat angles P-C4'-P energy: -59.234
tors. eta vs tors. theta energy: -107.413
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: 272
Temperature: 1.050000
Total energy: -840.545173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.545173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.545173 (E_RNA)
where:
Base-Base interactions energy: -442.730
where: short stacking energy: -311.583
Base-Backbone interact. energy: -0.622
local terms energy: -397.193073
where:
bonds (distance) C4'-P energy: -71.837
bonds (distance) P-C4' energy: -95.848
flat angles C4'-P-C4' energy: -92.243
flat angles P-C4'-P energy: -54.119
tors. eta vs tors. theta energy: -83.146
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: 5, replica: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -730.276725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.276725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.276725 (E_RNA)
where:
Base-Base interactions energy: -366.615
where: short stacking energy: -250.832
Base-Backbone interact. energy: 2.104
local terms energy: -365.765779
where:
bonds (distance) C4'-P energy: -82.068
bonds (distance) P-C4' energy: -78.377
flat angles C4'-P-C4' energy: -91.412
flat angles P-C4'-P energy: -53.388
tors. eta vs tors. theta energy: -60.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -585.537389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.537389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.537389 (E_RNA)
where:
Base-Base interactions energy: -265.756
where: short stacking energy: -191.376
Base-Backbone interact. energy: 0.909
local terms energy: -320.690714
where:
bonds (distance) C4'-P energy: -80.229
bonds (distance) P-C4' energy: -86.757
flat angles C4'-P-C4' energy: -67.729
flat angles P-C4'-P energy: -46.386
tors. eta vs tors. theta energy: -39.590
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: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -462.603224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.603224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.603224 (E_RNA)
where:
Base-Base interactions energy: -194.725
where: short stacking energy: -135.086
Base-Backbone interact. energy: -0.541
local terms energy: -267.337683
where:
bonds (distance) C4'-P energy: -61.705
bonds (distance) P-C4' energy: -85.172
flat angles C4'-P-C4' energy: -68.193
flat angles P-C4'-P energy: -56.135
tors. eta vs tors. theta energy: 3.867
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: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -412.201416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.201416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.201416 (E_RNA)
where:
Base-Base interactions energy: -153.388
where: short stacking energy: -150.660
Base-Backbone interact. energy: -0.264
local terms energy: -258.549178
where:
bonds (distance) C4'-P energy: -69.229
bonds (distance) P-C4' energy: -88.309
flat angles C4'-P-C4' energy: -62.462
flat angles P-C4'-P energy: -35.330
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -382.404251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.404251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.404251 (E_RNA)
where:
Base-Base interactions energy: -126.107
where: short stacking energy: -111.190
Base-Backbone interact. energy: -2.476
local terms energy: -253.821091
where:
bonds (distance) C4'-P energy: -59.316
bonds (distance) P-C4' energy: -92.387
flat angles C4'-P-C4' energy: -65.347
flat angles P-C4'-P energy: -47.224
tors. eta vs tors. theta energy: 10.453
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: 10
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -332.753183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.753183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.753183 (E_RNA)
where:
Base-Base interactions energy: -106.262
where: short stacking energy: -96.544
Base-Backbone interact. energy: 0.472
local terms energy: -226.962277
where:
bonds (distance) C4'-P energy: -76.661
bonds (distance) P-C4' energy: -79.874
flat angles C4'-P-C4' energy: -47.755
flat angles P-C4'-P energy: -44.511
tors. eta vs tors. theta energy: 21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1212.353880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.353880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.353880 (E_RNA)
where:
Base-Base interactions energy: -730.117
where: short stacking energy: -414.550
Base-Backbone interact. energy: -0.568
local terms energy: -481.669141
where:
bonds (distance) C4'-P energy: -89.636
bonds (distance) P-C4' energy: -100.888
flat angles C4'-P-C4' energy: -101.839
flat angles P-C4'-P energy: -71.357
tors. eta vs tors. theta energy: -117.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1074.381870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.381870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.381870 (E_RNA)
where:
Base-Base interactions energy: -619.930
where: short stacking energy: -386.328
Base-Backbone interact. energy: -1.600
local terms energy: -452.851861
where:
bonds (distance) C4'-P energy: -79.523
bonds (distance) P-C4' energy: -99.633
flat angles C4'-P-C4' energy: -104.017
flat angles P-C4'-P energy: -62.039
tors. eta vs tors. theta energy: -107.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -934.794296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.794296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.794296 (E_RNA)
where:
Base-Base interactions energy: -502.819
where: short stacking energy: -310.512
Base-Backbone interact. energy: -0.903
local terms energy: -431.072090
where:
bonds (distance) C4'-P energy: -85.548
bonds (distance) P-C4' energy: -99.909
flat angles C4'-P-C4' energy: -95.084
flat angles P-C4'-P energy: -55.875
tors. eta vs tors. theta energy: -94.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -856.506705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.506705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.506705 (E_RNA)
where:
Base-Base interactions energy: -460.204
where: short stacking energy: -284.388
Base-Backbone interact. energy: -0.813
local terms energy: -395.489359
where:
bonds (distance) C4'-P energy: -85.671
bonds (distance) P-C4' energy: -98.793
flat angles C4'-P-C4' energy: -91.825
flat angles P-C4'-P energy: -55.015
tors. eta vs tors. theta energy: -64.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -679.964733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.964733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.964733 (E_RNA)
where:
Base-Base interactions energy: -328.557
where: short stacking energy: -229.160
Base-Backbone interact. energy: 1.600
local terms energy: -353.007284
where:
bonds (distance) C4'-P energy: -74.415
bonds (distance) P-C4' energy: -79.618
flat angles C4'-P-C4' energy: -82.671
flat angles P-C4'-P energy: -54.489
tors. eta vs tors. theta energy: -61.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -547.267087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.267087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.267087 (E_RNA)
where:
Base-Base interactions energy: -243.931
where: short stacking energy: -184.562
Base-Backbone interact. energy: -0.680
local terms energy: -302.656607
where:
bonds (distance) C4'-P energy: -69.299
bonds (distance) P-C4' energy: -87.849
flat angles C4'-P-C4' energy: -80.360
flat angles P-C4'-P energy: -41.131
tors. eta vs tors. theta energy: -24.018
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: 7
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -458.199369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.199369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.199369 (E_RNA)
where:
Base-Base interactions energy: -163.482
where: short stacking energy: -145.279
Base-Backbone interact. energy: 1.862
local terms energy: -296.579457
where:
bonds (distance) C4'-P energy: -67.365
bonds (distance) P-C4' energy: -95.380
flat angles C4'-P-C4' energy: -75.417
flat angles P-C4'-P energy: -49.334
tors. eta vs tors. theta energy: -9.084
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: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -412.713132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.713132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.713132 (E_RNA)
where:
Base-Base interactions energy: -153.502
where: short stacking energy: -141.177
Base-Backbone interact. energy: 0.333
local terms energy: -259.544223
where:
bonds (distance) C4'-P energy: -76.075
bonds (distance) P-C4' energy: -76.483
flat angles C4'-P-C4' energy: -70.158
flat angles P-C4'-P energy: -36.232
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: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -367.425537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.425537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.425537 (E_RNA)
where:
Base-Base interactions energy: -112.291
where: short stacking energy: -104.147
Base-Backbone interact. energy: -1.896
local terms energy: -253.238492
where:
bonds (distance) C4'-P energy: -85.025
bonds (distance) P-C4' energy: -84.872
flat angles C4'-P-C4' energy: -53.499
flat angles P-C4'-P energy: -33.787
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: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -346.998332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.998332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.998332 (E_RNA)
where:
Base-Base interactions energy: -107.931
where: short stacking energy: -94.764
Base-Backbone interact. energy: 5.039
local terms energy: -244.105810
where:
bonds (distance) C4'-P energy: -79.666
bonds (distance) P-C4' energy: -65.140
flat angles C4'-P-C4' energy: -72.008
flat angles P-C4'-P energy: -41.328
tors. eta vs tors. theta energy: 14.035
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1235.526561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.526561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.526561 (E_RNA)
where:
Base-Base interactions energy: -740.850
where: short stacking energy: -420.513
Base-Backbone interact. energy: -1.357
local terms energy: -493.319372
where:
bonds (distance) C4'-P energy: -97.667
bonds (distance) P-C4' energy: -97.752
flat angles C4'-P-C4' energy: -104.626
flat angles P-C4'-P energy: -70.649
tors. eta vs tors. theta energy: -122.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1050.802059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.802059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.802059 (E_RNA)
where:
Base-Base interactions energy: -596.505
where: short stacking energy: -362.835
Base-Backbone interact. energy: 0.904
local terms energy: -455.201247
where:
bonds (distance) C4'-P energy: -89.017
bonds (distance) P-C4' energy: -98.442
flat angles C4'-P-C4' energy: -103.898
flat angles P-C4'-P energy: -54.345
tors. eta vs tors. theta energy: -109.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -950.807565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.807565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.807565 (E_RNA)
where:
Base-Base interactions energy: -513.827
where: short stacking energy: -307.278
Base-Backbone interact. energy: -2.131
local terms energy: -434.850385
where:
bonds (distance) C4'-P energy: -91.122
bonds (distance) P-C4' energy: -89.487
flat angles C4'-P-C4' energy: -103.146
flat angles P-C4'-P energy: -61.657
tors. eta vs tors. theta energy: -89.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -867.712189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.712189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.712189 (E_RNA)
where:
Base-Base interactions energy: -455.507
where: short stacking energy: -296.298
Base-Backbone interact. energy: -0.501
local terms energy: -411.703703
where:
bonds (distance) C4'-P energy: -93.833
bonds (distance) P-C4' energy: -100.431
flat angles C4'-P-C4' energy: -88.429
flat angles P-C4'-P energy: -50.227
tors. eta vs tors. theta energy: -78.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -667.118166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.118166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.118166 (E_RNA)
where:
Base-Base interactions energy: -325.977
where: short stacking energy: -194.153
Base-Backbone interact. energy: -3.587
local terms energy: -337.554153
where:
bonds (distance) C4'-P energy: -83.829
bonds (distance) P-C4' energy: -84.259
flat angles C4'-P-C4' energy: -77.449
flat angles P-C4'-P energy: -48.492
tors. eta vs tors. theta energy: -43.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -567.645880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.645880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.645880 (E_RNA)
where:
Base-Base interactions energy: -241.456
where: short stacking energy: -184.261
Base-Backbone interact. energy: 5.838
local terms energy: -332.027130
where:
bonds (distance) C4'-P energy: -84.804
bonds (distance) P-C4' energy: -83.654
flat angles C4'-P-C4' energy: -67.762
flat angles P-C4'-P energy: -67.169
tors. eta vs tors. theta energy: -28.637
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: 274
Temperature: 1.200000
Total energy: -451.610095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.610095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.610095 (E_RNA)
where:
Base-Base interactions energy: -166.653
where: short stacking energy: -132.753
Base-Backbone interact. energy: -0.380
local terms energy: -284.576985
where:
bonds (distance) C4'-P energy: -77.154
bonds (distance) P-C4' energy: -78.868
flat angles C4'-P-C4' energy: -68.775
flat angles P-C4'-P energy: -49.580
tors. eta vs tors. theta energy: -10.200
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: 8, replica: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -434.488290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.488290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.488290 (E_RNA)
where:
Base-Base interactions energy: -167.498
where: short stacking energy: -146.112
Base-Backbone interact. energy: 1.607
local terms energy: -268.597899
where:
bonds (distance) C4'-P energy: -61.898
bonds (distance) P-C4' energy: -73.502
flat angles C4'-P-C4' energy: -76.869
flat angles P-C4'-P energy: -44.203
tors. eta vs tors. theta energy: -12.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -372.120004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.120004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.120004 (E_RNA)
where:
Base-Base interactions energy: -109.474
where: short stacking energy: -105.767
Base-Backbone interact. energy: 4.929
local terms energy: -267.575268
where:
bonds (distance) C4'-P energy: -75.134
bonds (distance) P-C4' energy: -88.181
flat angles C4'-P-C4' energy: -74.008
flat angles P-C4'-P energy: -37.582
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: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -349.060427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.060427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.060427 (E_RNA)
where:
Base-Base interactions energy: -111.896
where: short stacking energy: -103.729
Base-Backbone interact. energy: 1.881
local terms energy: -239.045800
where:
bonds (distance) C4'-P energy: -76.248
bonds (distance) P-C4' energy: -81.272
flat angles C4'-P-C4' energy: -62.241
flat angles P-C4'-P energy: -46.166
tors. eta vs tors. theta energy: 26.881
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1225.012536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.012536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.012536 (E_RNA)
where:
Base-Base interactions energy: -743.818
where: short stacking energy: -403.906
Base-Backbone interact. energy: -2.298
local terms energy: -478.896025
where:
bonds (distance) C4'-P energy: -102.326
bonds (distance) P-C4' energy: -94.270
flat angles C4'-P-C4' energy: -104.157
flat angles P-C4'-P energy: -69.766
tors. eta vs tors. theta energy: -108.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1043.945725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.945725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.945725 (E_RNA)
where:
Base-Base interactions energy: -601.087
where: short stacking energy: -382.514
Base-Backbone interact. energy: -1.858
local terms energy: -441.001112
where:
bonds (distance) C4'-P energy: -81.405
bonds (distance) P-C4' energy: -86.098
flat angles C4'-P-C4' energy: -96.701
flat angles P-C4'-P energy: -66.046
tors. eta vs tors. theta energy: -110.750
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: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -951.859578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.859578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.859578 (E_RNA)
where:
Base-Base interactions energy: -548.058
where: short stacking energy: -333.707
Base-Backbone interact. energy: 0.413
local terms energy: -404.213958
where:
bonds (distance) C4'-P energy: -86.639
bonds (distance) P-C4' energy: -78.949
flat angles C4'-P-C4' energy: -91.114
flat angles P-C4'-P energy: -59.845
tors. eta vs tors. theta energy: -87.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -846.629854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.629854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.629854 (E_RNA)
where:
Base-Base interactions energy: -471.376
where: short stacking energy: -263.485
Base-Backbone interact. energy: -1.020
local terms energy: -374.233510
where:
bonds (distance) C4'-P energy: -73.829
bonds (distance) P-C4' energy: -91.467
flat angles C4'-P-C4' energy: -97.204
flat angles P-C4'-P energy: -52.878
tors. eta vs tors. theta energy: -58.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -697.492673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.492673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.492673 (E_RNA)
where:
Base-Base interactions energy: -345.280
where: short stacking energy: -239.817
Base-Backbone interact. energy: -2.296
local terms energy: -349.916605
where:
bonds (distance) C4'-P energy: -87.321
bonds (distance) P-C4' energy: -82.853
flat angles C4'-P-C4' energy: -88.477
flat angles P-C4'-P energy: -47.297
tors. eta vs tors. theta energy: -43.968
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: 275
Temperature: 1.150000
Total energy: -537.372835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.372835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.372835 (E_RNA)
where:
Base-Base interactions energy: -208.259
where: short stacking energy: -134.840
Base-Backbone interact. energy: -1.455
local terms energy: -327.659441
where:
bonds (distance) C4'-P energy: -83.056
bonds (distance) P-C4' energy: -86.372
flat angles C4'-P-C4' energy: -85.201
flat angles P-C4'-P energy: -46.005
tors. eta vs tors. theta energy: -27.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -453.842928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.842928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.842928 (E_RNA)
where:
Base-Base interactions energy: -158.626
where: short stacking energy: -149.856
Base-Backbone interact. energy: -0.142
local terms energy: -295.075123
where:
bonds (distance) C4'-P energy: -77.241
bonds (distance) P-C4' energy: -80.549
flat angles C4'-P-C4' energy: -74.265
flat angles P-C4'-P energy: -54.605
tors. eta vs tors. theta energy: -8.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -388.306549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.306549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.306549 (E_RNA)
where:
Base-Base interactions energy: -128.200
where: short stacking energy: -110.942
Base-Backbone interact. energy: -2.206
local terms energy: -257.900334
where:
bonds (distance) C4'-P energy: -80.057
bonds (distance) P-C4' energy: -87.972
flat angles C4'-P-C4' energy: -54.392
flat angles P-C4'-P energy: -50.417
tors. eta vs tors. theta energy: 14.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -407.884831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.884831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.884831 (E_RNA)
where:
Base-Base interactions energy: -119.217
where: short stacking energy: -101.520
Base-Backbone interact. energy: 0.607
local terms energy: -289.274827
where:
bonds (distance) C4'-P energy: -78.344
bonds (distance) P-C4' energy: -92.921
flat angles C4'-P-C4' energy: -70.648
flat angles P-C4'-P energy: -37.954
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: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -355.001447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.001447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.001447 (E_RNA)
where:
Base-Base interactions energy: -92.440
where: short stacking energy: -81.646
Base-Backbone interact. energy: 1.539
local terms energy: -264.100080
where:
bonds (distance) C4'-P energy: -75.691
bonds (distance) P-C4' energy: -86.808
flat angles C4'-P-C4' energy: -77.328
flat angles P-C4'-P energy: -43.554
tors. eta vs tors. theta energy: 19.282
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1232.668690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.668690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.668690 (E_RNA)
where:
Base-Base interactions energy: -751.739
where: short stacking energy: -415.156
Base-Backbone interact. energy: 0.045
local terms energy: -480.974732
where:
bonds (distance) C4'-P energy: -98.965
bonds (distance) P-C4' energy: -94.031
flat angles C4'-P-C4' energy: -109.552
flat angles P-C4'-P energy: -59.862
tors. eta vs tors. theta energy: -118.564
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: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1057.549963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.549963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.549963 (E_RNA)
where:
Base-Base interactions energy: -616.171
where: short stacking energy: -388.337
Base-Backbone interact. energy: -0.377
local terms energy: -441.002594
where:
bonds (distance) C4'-P energy: -81.737
bonds (distance) P-C4' energy: -91.874
flat angles C4'-P-C4' energy: -99.647
flat angles P-C4'-P energy: -55.067
tors. eta vs tors. theta energy: -112.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -963.284555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.284555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.284555 (E_RNA)
where:
Base-Base interactions energy: -540.295
where: short stacking energy: -318.378
Base-Backbone interact. energy: -1.776
local terms energy: -421.213777
where:
bonds (distance) C4'-P energy: -68.307
bonds (distance) P-C4' energy: -98.791
flat angles C4'-P-C4' energy: -88.553
flat angles P-C4'-P energy: -70.423
tors. eta vs tors. theta energy: -95.140
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: 4, replica: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -877.879429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.879429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.879429 (E_RNA)
where:
Base-Base interactions energy: -494.025
where: short stacking energy: -293.454
Base-Backbone interact. energy: 2.066
local terms energy: -385.920385
where:
bonds (distance) C4'-P energy: -98.281
bonds (distance) P-C4' energy: -73.711
flat angles C4'-P-C4' energy: -91.305
flat angles P-C4'-P energy: -46.971
tors. eta vs tors. theta energy: -75.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -685.251615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.251615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.251615 (E_RNA)
where:
Base-Base interactions energy: -323.253
where: short stacking energy: -217.073
Base-Backbone interact. energy: 2.100
local terms energy: -364.098782
where:
bonds (distance) C4'-P energy: -92.370
bonds (distance) P-C4' energy: -88.880
flat angles C4'-P-C4' energy: -89.582
flat angles P-C4'-P energy: -53.458
tors. eta vs tors. theta energy: -39.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -560.857498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.857498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.857498 (E_RNA)
where:
Base-Base interactions energy: -234.246
where: short stacking energy: -187.400
Base-Backbone interact. energy: -0.054
local terms energy: -326.557601
where:
bonds (distance) C4'-P energy: -72.038
bonds (distance) P-C4' energy: -89.414
flat angles C4'-P-C4' energy: -84.900
flat angles P-C4'-P energy: -54.271
tors. eta vs tors. theta energy: -25.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -460.145911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.145911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.145911 (E_RNA)
where:
Base-Base interactions energy: -177.695
where: short stacking energy: -160.964
Base-Backbone interact. energy: 0.416
local terms energy: -282.867203
where:
bonds (distance) C4'-P energy: -85.332
bonds (distance) P-C4' energy: -82.163
flat angles C4'-P-C4' energy: -71.675
flat angles P-C4'-P energy: -30.428
tors. eta vs tors. theta energy: -13.268
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: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -411.703270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.703270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.703270 (E_RNA)
where:
Base-Base interactions energy: -165.494
where: short stacking energy: -129.712
Base-Backbone interact. energy: 2.772
local terms energy: -248.981061
where:
bonds (distance) C4'-P energy: -72.683
bonds (distance) P-C4' energy: -68.487
flat angles C4'-P-C4' energy: -74.430
flat angles P-C4'-P energy: -33.152
tors. eta vs tors. theta energy: -0.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -374.068291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.068291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.068291 (E_RNA)
where:
Base-Base interactions energy: -132.076
where: short stacking energy: -111.449
Base-Backbone interact. energy: -0.205
local terms energy: -241.787131
where:
bonds (distance) C4'-P energy: -88.165
bonds (distance) P-C4' energy: -89.611
flat angles C4'-P-C4' energy: -52.793
flat angles P-C4'-P energy: -11.048
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: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -370.319226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.319226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.319226 (E_RNA)
where:
Base-Base interactions energy: -118.621
where: short stacking energy: -88.744
Base-Backbone interact. energy: -0.336
local terms energy: -251.361445
where:
bonds (distance) C4'-P energy: -80.255
bonds (distance) P-C4' energy: -83.593
flat angles C4'-P-C4' energy: -46.661
flat angles P-C4'-P energy: -43.418
tors. eta vs tors. theta energy: 2.564
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1232.087556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.087556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.087556 (E_RNA)
where:
Base-Base interactions energy: -748.004
where: short stacking energy: -416.333
Base-Backbone interact. energy: -2.598
local terms energy: -481.485544
where:
bonds (distance) C4'-P energy: -90.853
bonds (distance) P-C4' energy: -94.972
flat angles C4'-P-C4' energy: -105.599
flat angles P-C4'-P energy: -71.859
tors. eta vs tors. theta energy: -118.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1105.825104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.825104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.825104 (E_RNA)
where:
Base-Base interactions energy: -635.730
where: short stacking energy: -401.684
Base-Backbone interact. energy: 0.150
local terms energy: -470.245673
where:
bonds (distance) C4'-P energy: -86.260
bonds (distance) P-C4' energy: -90.508
flat angles C4'-P-C4' energy: -107.833
flat angles P-C4'-P energy: -60.054
tors. eta vs tors. theta energy: -125.591
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: 3, replica: 9
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -997.707590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.707590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.707590 (E_RNA)
where:
Base-Base interactions energy: -570.290
where: short stacking energy: -345.464
Base-Backbone interact. energy: 2.425
local terms energy: -429.842727
where:
bonds (distance) C4'-P energy: -91.167
bonds (distance) P-C4' energy: -82.342
flat angles C4'-P-C4' energy: -97.065
flat angles P-C4'-P energy: -63.911
tors. eta vs tors. theta energy: -95.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -849.398509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.398509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.398509 (E_RNA)
where:
Base-Base interactions energy: -481.477
where: short stacking energy: -283.124
Base-Backbone interact. energy: 0.490
local terms energy: -368.411506
where:
bonds (distance) C4'-P energy: -88.645
bonds (distance) P-C4' energy: -82.032
flat angles C4'-P-C4' energy: -70.859
flat angles P-C4'-P energy: -55.613
tors. eta vs tors. theta energy: -71.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -663.577970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.577970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.577970 (E_RNA)
where:
Base-Base interactions energy: -306.843
where: short stacking energy: -207.328
Base-Backbone interact. energy: -1.871
local terms energy: -354.863965
where:
bonds (distance) C4'-P energy: -88.365
bonds (distance) P-C4' energy: -97.284
flat angles C4'-P-C4' energy: -83.331
flat angles P-C4'-P energy: -54.433
tors. eta vs tors. theta energy: -31.451
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: 277
Temperature: 1.150000
Total energy: -549.115649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.115649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.115649 (E_RNA)
where:
Base-Base interactions energy: -245.672
where: short stacking energy: -196.157
Base-Backbone interact. energy: -2.523
local terms energy: -300.920851
where:
bonds (distance) C4'-P energy: -74.185
bonds (distance) P-C4' energy: -74.347
flat angles C4'-P-C4' energy: -75.180
flat angles P-C4'-P energy: -47.952
tors. eta vs tors. theta energy: -29.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -463.701151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.701151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.701151 (E_RNA)
where:
Base-Base interactions energy: -167.261
where: short stacking energy: -155.378
Base-Backbone interact. energy: -0.093
local terms energy: -296.347037
where:
bonds (distance) C4'-P energy: -75.447
bonds (distance) P-C4' energy: -80.110
flat angles C4'-P-C4' energy: -69.832
flat angles P-C4'-P energy: -57.231
tors. eta vs tors. theta energy: -13.728
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: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -412.321177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.321177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.321177 (E_RNA)
where:
Base-Base interactions energy: -138.566
where: short stacking energy: -129.849
Base-Backbone interact. energy: 0.955
local terms energy: -274.709958
where:
bonds (distance) C4'-P energy: -77.101
bonds (distance) P-C4' energy: -86.853
flat angles C4'-P-C4' energy: -78.909
flat angles P-C4'-P energy: -38.689
tors. eta vs tors. theta energy: 6.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -416.942850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.942850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.942850 (E_RNA)
where:
Base-Base interactions energy: -147.251
where: short stacking energy: -96.388
Base-Backbone interact. energy: 2.343
local terms energy: -272.035115
where:
bonds (distance) C4'-P energy: -72.383
bonds (distance) P-C4' energy: -83.958
flat angles C4'-P-C4' energy: -77.775
flat angles P-C4'-P energy: -54.519
tors. eta vs tors. theta energy: 16.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -359.001440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.001440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.001440 (E_RNA)
where:
Base-Base interactions energy: -143.710
where: short stacking energy: -106.397
Base-Backbone interact. energy: 1.639
local terms energy: -216.930579
where:
bonds (distance) C4'-P energy: -67.410
bonds (distance) P-C4' energy: -75.923
flat angles C4'-P-C4' energy: -42.681
flat angles P-C4'-P energy: -43.441
tors. eta vs tors. theta energy: 12.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1260.307785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.307785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.307785 (E_RNA)
where:
Base-Base interactions energy: -772.961
where: short stacking energy: -433.088
Base-Backbone interact. energy: -3.157
local terms energy: -484.190452
where:
bonds (distance) C4'-P energy: -93.124
bonds (distance) P-C4' energy: -97.519
flat angles C4'-P-C4' energy: -104.849
flat angles P-C4'-P energy: -65.002
tors. eta vs tors. theta energy: -123.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1047.851418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.851418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.851418 (E_RNA)
where:
Base-Base interactions energy: -607.682
where: short stacking energy: -350.841
Base-Backbone interact. energy: -1.413
local terms energy: -438.756421
where:
bonds (distance) C4'-P energy: -89.937
bonds (distance) P-C4' energy: -86.305
flat angles C4'-P-C4' energy: -95.133
flat angles P-C4'-P energy: -66.098
tors. eta vs tors. theta energy: -101.283
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: 9
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -966.278096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.278096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.278096 (E_RNA)
where:
Base-Base interactions energy: -542.725
where: short stacking energy: -319.010
Base-Backbone interact. energy: -1.542
local terms energy: -422.010759
where:
bonds (distance) C4'-P energy: -75.911
bonds (distance) P-C4' energy: -98.967
flat angles C4'-P-C4' energy: -97.833
flat angles P-C4'-P energy: -56.080
tors. eta vs tors. theta energy: -93.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -825.346101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.346101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.346101 (E_RNA)
where:
Base-Base interactions energy: -454.546
where: short stacking energy: -281.562
Base-Backbone interact. energy: -1.218
local terms energy: -369.582262
where:
bonds (distance) C4'-P energy: -95.522
bonds (distance) P-C4' energy: -88.007
flat angles C4'-P-C4' energy: -80.357
flat angles P-C4'-P energy: -41.005
tors. eta vs tors. theta energy: -64.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -666.747086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.747086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.747086 (E_RNA)
where:
Base-Base interactions energy: -315.345
where: short stacking energy: -193.015
Base-Backbone interact. energy: -2.455
local terms energy: -348.946803
where:
bonds (distance) C4'-P energy: -91.113
bonds (distance) P-C4' energy: -94.335
flat angles C4'-P-C4' energy: -86.582
flat angles P-C4'-P energy: -36.721
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: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -531.501650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.501650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.501650 (E_RNA)
where:
Base-Base interactions energy: -226.173
where: short stacking energy: -173.025
Base-Backbone interact. energy: -0.039
local terms energy: -305.290021
where:
bonds (distance) C4'-P energy: -88.772
bonds (distance) P-C4' energy: -82.199
flat angles C4'-P-C4' energy: -66.990
flat angles P-C4'-P energy: -46.051
tors. eta vs tors. theta energy: -21.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -435.499289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.499289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.499289 (E_RNA)
where:
Base-Base interactions energy: -131.866
where: short stacking energy: -124.925
Base-Backbone interact. energy: -0.724
local terms energy: -302.909423
where:
bonds (distance) C4'-P energy: -87.273
bonds (distance) P-C4' energy: -89.576
flat angles C4'-P-C4' energy: -74.876
flat angles P-C4'-P energy: -52.207
tors. eta vs tors. theta energy: 1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -416.979165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.979165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.979165 (E_RNA)
where:
Base-Base interactions energy: -150.890
where: short stacking energy: -114.092
Base-Backbone interact. energy: 1.097
local terms energy: -267.186332
where:
bonds (distance) C4'-P energy: -78.713
bonds (distance) P-C4' energy: -77.231
flat angles C4'-P-C4' energy: -77.833
flat angles P-C4'-P energy: -38.825
tors. eta vs tors. theta energy: 5.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -411.870264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.870264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.870264 (E_RNA)
where:
Base-Base interactions energy: -151.935
where: short stacking energy: -124.067
Base-Backbone interact. energy: -1.715
local terms energy: -258.220835
where:
bonds (distance) C4'-P energy: -63.665
bonds (distance) P-C4' energy: -90.969
flat angles C4'-P-C4' energy: -65.015
flat angles P-C4'-P energy: -45.166
tors. eta vs tors. theta energy: 6.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -333.429874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.429874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.429874 (E_RNA)
where:
Base-Base interactions energy: -91.079
where: short stacking energy: -78.807
Base-Backbone interact. energy: -2.834
local terms energy: -239.516048
where:
bonds (distance) C4'-P energy: -86.025
bonds (distance) P-C4' energy: -89.492
flat angles C4'-P-C4' energy: -50.359
flat angles P-C4'-P energy: -26.825
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1243.284322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.284322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.284322 (E_RNA)
where:
Base-Base interactions energy: -760.755
where: short stacking energy: -422.607
Base-Backbone interact. energy: -3.576
local terms energy: -478.953872
where:
bonds (distance) C4'-P energy: -89.009
bonds (distance) P-C4' energy: -89.230
flat angles C4'-P-C4' energy: -104.261
flat angles P-C4'-P energy: -78.829
tors. eta vs tors. theta energy: -117.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1068.549891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.549891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.549891 (E_RNA)
where:
Base-Base interactions energy: -608.499
where: short stacking energy: -352.309
Base-Backbone interact. energy: -1.831
local terms energy: -458.219726
where:
bonds (distance) C4'-P energy: -90.578
bonds (distance) P-C4' energy: -94.167
flat angles C4'-P-C4' energy: -105.806
flat angles P-C4'-P energy: -53.927
tors. eta vs tors. theta energy: -113.742
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: 9
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -934.593100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.593100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.593100 (E_RNA)
where:
Base-Base interactions energy: -523.615
where: short stacking energy: -322.713
Base-Backbone interact. energy: 0.179
local terms energy: -411.156876
where:
bonds (distance) C4'-P energy: -104.571
bonds (distance) P-C4' energy: -83.545
flat angles C4'-P-C4' energy: -83.668
flat angles P-C4'-P energy: -53.555
tors. eta vs tors. theta energy: -85.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -821.691612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.691612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.691612 (E_RNA)
where:
Base-Base interactions energy: -412.147
where: short stacking energy: -269.861
Base-Backbone interact. energy: -1.368
local terms energy: -408.176720
where:
bonds (distance) C4'-P energy: -98.341
bonds (distance) P-C4' energy: -93.455
flat angles C4'-P-C4' energy: -85.905
flat angles P-C4'-P energy: -55.303
tors. eta vs tors. theta energy: -75.173
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: 279
Temperature: 1.100000
Total energy: -693.497428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.497428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.497428 (E_RNA)
where:
Base-Base interactions energy: -352.004
where: short stacking energy: -231.648
Base-Backbone interact. energy: 2.159
local terms energy: -343.653029
where:
bonds (distance) C4'-P energy: -79.494
bonds (distance) P-C4' energy: -91.569
flat angles C4'-P-C4' energy: -85.578
flat angles P-C4'-P energy: -50.875
tors. eta vs tors. theta energy: -36.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -569.764954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.764954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.764954 (E_RNA)
where:
Base-Base interactions energy: -248.934
where: short stacking energy: -184.485
Base-Backbone interact. energy: 0.916
local terms energy: -321.747127
where:
bonds (distance) C4'-P energy: -86.478
bonds (distance) P-C4' energy: -87.624
flat angles C4'-P-C4' energy: -86.280
flat angles P-C4'-P energy: -39.617
tors. eta vs tors. theta energy: -21.747
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: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -442.050700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.050700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.050700 (E_RNA)
where:
Base-Base interactions energy: -141.883
where: short stacking energy: -125.315
Base-Backbone interact. energy: -1.473
local terms energy: -298.694625
where:
bonds (distance) C4'-P energy: -65.312
bonds (distance) P-C4' energy: -82.463
flat angles C4'-P-C4' energy: -85.830
flat angles P-C4'-P energy: -55.130
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -413.203740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.203740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.203740 (E_RNA)
where:
Base-Base interactions energy: -137.634
where: short stacking energy: -113.203
Base-Backbone interact. energy: 0.855
local terms energy: -276.424575
where:
bonds (distance) C4'-P energy: -74.253
bonds (distance) P-C4' energy: -92.084
flat angles C4'-P-C4' energy: -70.767
flat angles P-C4'-P energy: -38.629
tors. eta vs tors. theta energy: -0.692
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: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -368.241630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.241630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.241630 (E_RNA)
where:
Base-Base interactions energy: -125.637
where: short stacking energy: -114.000
Base-Backbone interact. energy: 2.338
local terms energy: -244.942645
where:
bonds (distance) C4'-P energy: -80.340
bonds (distance) P-C4' energy: -77.158
flat angles C4'-P-C4' energy: -65.697
flat angles P-C4'-P energy: -29.572
tors. eta vs tors. theta energy: 7.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -336.434702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.434702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.434702 (E_RNA)
where:
Base-Base interactions energy: -101.442
where: short stacking energy: -99.403
Base-Backbone interact. energy: 0.065
local terms energy: -235.057013
where:
bonds (distance) C4'-P energy: -69.605
bonds (distance) P-C4' energy: -72.198
flat angles C4'-P-C4' energy: -67.056
flat angles P-C4'-P energy: -40.860
tors. eta vs tors. theta energy: 14.662
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1204.405002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.405002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.405002 (E_RNA)
where:
Base-Base interactions energy: -733.907
where: short stacking energy: -385.922
Base-Backbone interact. energy: 2.389
local terms energy: -472.886475
where:
bonds (distance) C4'-P energy: -94.523
bonds (distance) P-C4' energy: -98.684
flat angles C4'-P-C4' energy: -101.322
flat angles P-C4'-P energy: -70.276
tors. eta vs tors. theta energy: -108.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1096.069728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.069728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.069728 (E_RNA)
where:
Base-Base interactions energy: -641.539
where: short stacking energy: -379.149
Base-Backbone interact. energy: -0.899
local terms energy: -453.632265
where:
bonds (distance) C4'-P energy: -90.601
bonds (distance) P-C4' energy: -93.593
flat angles C4'-P-C4' energy: -101.809
flat angles P-C4'-P energy: -57.473
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: 9
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -943.578342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.578342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.578342 (E_RNA)
where:
Base-Base interactions energy: -541.393
where: short stacking energy: -306.447
Base-Backbone interact. energy: -0.370
local terms energy: -401.815196
where:
bonds (distance) C4'-P energy: -90.160
bonds (distance) P-C4' energy: -81.453
flat angles C4'-P-C4' energy: -102.168
flat angles P-C4'-P energy: -48.734
tors. eta vs tors. theta energy: -79.301
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: 2
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -813.027605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.027605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.027605 (E_RNA)
where:
Base-Base interactions energy: -438.009
where: short stacking energy: -279.435
Base-Backbone interact. energy: -0.034
local terms energy: -374.985037
where:
bonds (distance) C4'-P energy: -81.762
bonds (distance) P-C4' energy: -81.900
flat angles C4'-P-C4' energy: -92.631
flat angles P-C4'-P energy: -53.219
tors. eta vs tors. theta energy: -65.473
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: 280
Temperature: 1.100000
Total energy: -650.102235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.102235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.102235 (E_RNA)
where:
Base-Base interactions energy: -305.681
where: short stacking energy: -203.462
Base-Backbone interact. energy: -1.341
local terms energy: -343.081043
where:
bonds (distance) C4'-P energy: -88.909
bonds (distance) P-C4' energy: -88.240
flat angles C4'-P-C4' energy: -83.093
flat angles P-C4'-P energy: -44.013
tors. eta vs tors. theta energy: -38.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -556.133321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.133321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.133321 (E_RNA)
where:
Base-Base interactions energy: -247.198
where: short stacking energy: -198.143
Base-Backbone interact. energy: 0.759
local terms energy: -309.693526
where:
bonds (distance) C4'-P energy: -91.739
bonds (distance) P-C4' energy: -81.515
flat angles C4'-P-C4' energy: -67.572
flat angles P-C4'-P energy: -39.365
tors. eta vs tors. theta energy: -29.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -436.137497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.137497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.137497 (E_RNA)
where:
Base-Base interactions energy: -157.796
where: short stacking energy: -147.347
Base-Backbone interact. energy: 0.687
local terms energy: -279.028407
where:
bonds (distance) C4'-P energy: -70.651
bonds (distance) P-C4' energy: -74.918
flat angles C4'-P-C4' energy: -79.787
flat angles P-C4'-P energy: -41.021
tors. eta vs tors. theta energy: -12.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -408.510060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.510060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.510060 (E_RNA)
where:
Base-Base interactions energy: -124.061
where: short stacking energy: -114.794
Base-Backbone interact. energy: 4.179
local terms energy: -288.627671
where:
bonds (distance) C4'-P energy: -85.540
bonds (distance) P-C4' energy: -90.453
flat angles C4'-P-C4' energy: -64.346
flat angles P-C4'-P energy: -49.814
tors. eta vs tors. theta energy: 1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -395.237259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.237259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.237259 (E_RNA)
where:
Base-Base interactions energy: -131.279
where: short stacking energy: -122.457
Base-Backbone interact. energy: 0.868
local terms energy: -264.826257
where:
bonds (distance) C4'-P energy: -84.716
bonds (distance) P-C4' energy: -78.253
flat angles C4'-P-C4' energy: -56.935
flat angles P-C4'-P energy: -47.915
tors. eta vs tors. theta energy: 2.994
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: 1
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -345.247884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.247884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.247884 (E_RNA)
where:
Base-Base interactions energy: -131.735
where: short stacking energy: -115.756
Base-Backbone interact. energy: -1.193
local terms energy: -212.319618
where:
bonds (distance) C4'-P energy: -78.388
bonds (distance) P-C4' energy: -70.091
flat angles C4'-P-C4' energy: -52.825
flat angles P-C4'-P energy: -18.512
tors. eta vs tors. theta energy: 7.496
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1194.289916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.289916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.289916 (E_RNA)
where:
Base-Base interactions energy: -724.322
where: short stacking energy: -402.591
Base-Backbone interact. energy: -1.818
local terms energy: -468.150030
where:
bonds (distance) C4'-P energy: -94.692
bonds (distance) P-C4' energy: -93.101
flat angles C4'-P-C4' energy: -99.258
flat angles P-C4'-P energy: -65.716
tors. eta vs tors. theta energy: -115.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1061.015343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.015343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.015343 (E_RNA)
where:
Base-Base interactions energy: -600.486
where: short stacking energy: -367.572
Base-Backbone interact. energy: -0.418
local terms energy: -460.110719
where:
bonds (distance) C4'-P energy: -100.314
bonds (distance) P-C4' energy: -92.412
flat angles C4'-P-C4' energy: -99.792
flat angles P-C4'-P energy: -66.397
tors. eta vs tors. theta energy: -101.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -938.991278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.991278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.991278 (E_RNA)
where:
Base-Base interactions energy: -520.038
where: short stacking energy: -335.935
Base-Backbone interact. energy: -2.439
local terms energy: -416.513943
where:
bonds (distance) C4'-P energy: -84.360
bonds (distance) P-C4' energy: -95.404
flat angles C4'-P-C4' energy: -97.120
flat angles P-C4'-P energy: -54.923
tors. eta vs tors. theta energy: -84.708
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: 281
Temperature: 1.050000
Total energy: -794.688028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.688028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.688028 (E_RNA)
where:
Base-Base interactions energy: -419.618
where: short stacking energy: -260.890
Base-Backbone interact. energy: -1.937
local terms energy: -373.133891
where:
bonds (distance) C4'-P energy: -97.498
bonds (distance) P-C4' energy: -73.542
flat angles C4'-P-C4' energy: -93.789
flat angles P-C4'-P energy: -47.223
tors. eta vs tors. theta energy: -61.082
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: 281
Temperature: 1.100000
Total energy: -678.138730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.138730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.138730 (E_RNA)
where:
Base-Base interactions energy: -325.785
where: short stacking energy: -205.734
Base-Backbone interact. energy: -1.052
local terms energy: -351.301118
where:
bonds (distance) C4'-P energy: -80.599
bonds (distance) P-C4' energy: -93.560
flat angles C4'-P-C4' energy: -90.838
flat angles P-C4'-P energy: -54.833
tors. eta vs tors. theta energy: -31.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -560.973408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.973408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.973408 (E_RNA)
where:
Base-Base interactions energy: -263.074
where: short stacking energy: -180.930
Base-Backbone interact. energy: -0.170
local terms energy: -297.729505
where:
bonds (distance) C4'-P energy: -88.715
bonds (distance) P-C4' energy: -69.441
flat angles C4'-P-C4' energy: -75.821
flat angles P-C4'-P energy: -52.070
tors. eta vs tors. theta energy: -11.682
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: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -456.429022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.429022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.429022 (E_RNA)
where:
Base-Base interactions energy: -159.143
where: short stacking energy: -146.731
Base-Backbone interact. energy: 0.258
local terms energy: -297.544230
where:
bonds (distance) C4'-P energy: -83.266
bonds (distance) P-C4' energy: -84.320
flat angles C4'-P-C4' energy: -75.414
flat angles P-C4'-P energy: -34.564
tors. eta vs tors. theta energy: -19.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -432.230351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.230351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.230351 (E_RNA)
where:
Base-Base interactions energy: -157.334
where: short stacking energy: -154.433
Base-Backbone interact. energy: -1.470
local terms energy: -273.426017
where:
bonds (distance) C4'-P energy: -67.829
bonds (distance) P-C4' energy: -80.728
flat angles C4'-P-C4' energy: -69.607
flat angles P-C4'-P energy: -41.732
tors. eta vs tors. theta energy: -13.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -379.001469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.001469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.001469 (E_RNA)
where:
Base-Base interactions energy: -125.592
where: short stacking energy: -118.358
Base-Backbone interact. energy: 3.241
local terms energy: -256.650827
where:
bonds (distance) C4'-P energy: -78.185
bonds (distance) P-C4' energy: -85.164
flat angles C4'-P-C4' energy: -58.134
flat angles P-C4'-P energy: -34.527
tors. eta vs tors. theta energy: -0.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -367.491357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.491357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.491357 (E_RNA)
where:
Base-Base interactions energy: -120.818
where: short stacking energy: -98.967
Base-Backbone interact. energy: 4.665
local terms energy: -251.338270
where:
bonds (distance) C4'-P energy: -97.163
bonds (distance) P-C4' energy: -81.576
flat angles C4'-P-C4' energy: -58.071
flat angles P-C4'-P energy: -19.044
tors. eta vs tors. theta energy: 4.516
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1188.839200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.839200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.839200 (E_RNA)
where:
Base-Base interactions energy: -699.693
where: short stacking energy: -400.258
Base-Backbone interact. energy: -1.036
local terms energy: -488.109836
where:
bonds (distance) C4'-P energy: -90.795
bonds (distance) P-C4' energy: -101.694
flat angles C4'-P-C4' energy: -104.788
flat angles P-C4'-P energy: -64.678
tors. eta vs tors. theta energy: -126.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1055.833383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.833383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.833383 (E_RNA)
where:
Base-Base interactions energy: -613.264
where: short stacking energy: -371.834
Base-Backbone interact. energy: -0.877
local terms energy: -441.692415
where:
bonds (distance) C4'-P energy: -91.793
bonds (distance) P-C4' energy: -92.739
flat angles C4'-P-C4' energy: -96.720
flat angles P-C4'-P energy: -52.550
tors. eta vs tors. theta energy: -107.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -901.280526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.280526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.280526 (E_RNA)
where:
Base-Base interactions energy: -499.877
where: short stacking energy: -315.163
Base-Backbone interact. energy: 0.227
local terms energy: -401.630322
where:
bonds (distance) C4'-P energy: -71.633
bonds (distance) P-C4' energy: -97.577
flat angles C4'-P-C4' energy: -92.866
flat angles P-C4'-P energy: -62.242
tors. eta vs tors. theta energy: -77.312
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: 2
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -750.509085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.509085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.509085 (E_RNA)
where:
Base-Base interactions energy: -353.982
where: short stacking energy: -225.540
Base-Backbone interact. energy: -0.755
local terms energy: -395.772246
where:
bonds (distance) C4'-P energy: -95.982
bonds (distance) P-C4' energy: -100.615
flat angles C4'-P-C4' energy: -94.405
flat angles P-C4'-P energy: -51.848
tors. eta vs tors. theta energy: -52.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -656.588398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.588398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.588398 (E_RNA)
where:
Base-Base interactions energy: -293.942
where: short stacking energy: -201.653
Base-Backbone interact. energy: -2.231
local terms energy: -360.415602
where:
bonds (distance) C4'-P energy: -92.424
bonds (distance) P-C4' energy: -77.543
flat angles C4'-P-C4' energy: -98.228
flat angles P-C4'-P energy: -55.948
tors. eta vs tors. theta energy: -36.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -575.026437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.026437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.026437 (E_RNA)
where:
Base-Base interactions energy: -235.861
where: short stacking energy: -181.260
Base-Backbone interact. energy: -1.673
local terms energy: -337.493188
where:
bonds (distance) C4'-P energy: -86.561
bonds (distance) P-C4' energy: -77.737
flat angles C4'-P-C4' energy: -88.632
flat angles P-C4'-P energy: -48.686
tors. eta vs tors. theta energy: -35.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -424.026321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.026321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.026321 (E_RNA)
where:
Base-Base interactions energy: -148.652
where: short stacking energy: -141.249
Base-Backbone interact. energy: -2.430
local terms energy: -272.944206
where:
bonds (distance) C4'-P energy: -76.837
bonds (distance) P-C4' energy: -86.748
flat angles C4'-P-C4' energy: -74.206
flat angles P-C4'-P energy: -35.481
tors. eta vs tors. theta energy: 0.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -416.095857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.095857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.095857 (E_RNA)
where:
Base-Base interactions energy: -145.971
where: short stacking energy: -123.270
Base-Backbone interact. energy: -0.697
local terms energy: -269.427892
where:
bonds (distance) C4'-P energy: -75.221
bonds (distance) P-C4' energy: -91.290
flat angles C4'-P-C4' energy: -70.947
flat angles P-C4'-P energy: -45.106
tors. eta vs tors. theta energy: 13.136
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: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -416.649145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.649145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.649145 (E_RNA)
where:
Base-Base interactions energy: -137.736
where: short stacking energy: -122.116
Base-Backbone interact. energy: -2.901
local terms energy: -276.011984
where:
bonds (distance) C4'-P energy: -71.556
bonds (distance) P-C4' energy: -77.963
flat angles C4'-P-C4' energy: -75.720
flat angles P-C4'-P energy: -51.987
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: 1
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -355.734540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.734540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.734540 (E_RNA)
where:
Base-Base interactions energy: -117.685
where: short stacking energy: -104.618
Base-Backbone interact. energy: 2.627
local terms energy: -240.676093
where:
bonds (distance) C4'-P energy: -72.484
bonds (distance) P-C4' energy: -81.428
flat angles C4'-P-C4' energy: -81.426
flat angles P-C4'-P energy: -27.288
tors. eta vs tors. theta energy: 21.949
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1186.112580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.112580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.112580 (E_RNA)
where:
Base-Base interactions energy: -735.365
where: short stacking energy: -424.379
Base-Backbone interact. energy: -3.198
local terms energy: -447.549162
where:
bonds (distance) C4'-P energy: -80.391
bonds (distance) P-C4' energy: -92.268
flat angles C4'-P-C4' energy: -90.927
flat angles P-C4'-P energy: -60.211
tors. eta vs tors. theta energy: -123.752
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: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1071.861713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.861713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.861713 (E_RNA)
where:
Base-Base interactions energy: -620.167
where: short stacking energy: -360.856
Base-Backbone interact. energy: -0.719
local terms energy: -450.975717
where:
bonds (distance) C4'-P energy: -95.915
bonds (distance) P-C4' energy: -97.445
flat angles C4'-P-C4' energy: -95.764
flat angles P-C4'-P energy: -64.390
tors. eta vs tors. theta energy: -97.462
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: 9
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -929.565061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.565061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.565061 (E_RNA)
where:
Base-Base interactions energy: -502.825
where: short stacking energy: -320.370
Base-Backbone interact. energy: 0.786
local terms energy: -427.526355
where:
bonds (distance) C4'-P energy: -83.714
bonds (distance) P-C4' energy: -88.275
flat angles C4'-P-C4' energy: -95.532
flat angles P-C4'-P energy: -64.124
tors. eta vs tors. theta energy: -95.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -775.880269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.880269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.880269 (E_RNA)
where:
Base-Base interactions energy: -384.273
where: short stacking energy: -243.199
Base-Backbone interact. energy: -2.009
local terms energy: -389.598781
where:
bonds (distance) C4'-P energy: -93.182
bonds (distance) P-C4' energy: -92.199
flat angles C4'-P-C4' energy: -91.871
flat angles P-C4'-P energy: -52.590
tors. eta vs tors. theta energy: -59.756
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: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -675.733345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.733345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.733345 (E_RNA)
where:
Base-Base interactions energy: -336.837
where: short stacking energy: -227.305
Base-Backbone interact. energy: 0.624
local terms energy: -339.520376
where:
bonds (distance) C4'-P energy: -84.965
bonds (distance) P-C4' energy: -78.237
flat angles C4'-P-C4' energy: -86.922
flat angles P-C4'-P energy: -58.806
tors. eta vs tors. theta energy: -30.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -519.069115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.069115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.069115 (E_RNA)
where:
Base-Base interactions energy: -203.377
where: short stacking energy: -163.005
Base-Backbone interact. energy: -0.092
local terms energy: -315.599935
where:
bonds (distance) C4'-P energy: -80.871
bonds (distance) P-C4' energy: -96.444
flat angles C4'-P-C4' energy: -80.870
flat angles P-C4'-P energy: -61.216
tors. eta vs tors. theta energy: 3.800
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: 7
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -441.993566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.993566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.993566 (E_RNA)
where:
Base-Base interactions energy: -147.999
where: short stacking energy: -131.414
Base-Backbone interact. energy: 2.041
local terms energy: -296.035253
where:
bonds (distance) C4'-P energy: -87.469
bonds (distance) P-C4' energy: -89.531
flat angles C4'-P-C4' energy: -53.256
flat angles P-C4'-P energy: -64.329
tors. eta vs tors. theta energy: -1.450
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: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -424.048255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.048255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.048255 (E_RNA)
where:
Base-Base interactions energy: -154.454
where: short stacking energy: -135.263
Base-Backbone interact. energy: 2.655
local terms energy: -272.249306
where:
bonds (distance) C4'-P energy: -79.543
bonds (distance) P-C4' energy: -86.075
flat angles C4'-P-C4' energy: -68.306
flat angles P-C4'-P energy: -40.572
tors. eta vs tors. theta energy: 2.247
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: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -374.136638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.136638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.136638 (E_RNA)
where:
Base-Base interactions energy: -123.694
where: short stacking energy: -118.372
Base-Backbone interact. energy: 3.036
local terms energy: -253.478079
where:
bonds (distance) C4'-P energy: -73.973
bonds (distance) P-C4' energy: -72.911
flat angles C4'-P-C4' energy: -82.334
flat angles P-C4'-P energy: -38.129
tors. eta vs tors. theta energy: 13.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -338.042520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.042520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.042520 (E_RNA)
where:
Base-Base interactions energy: -127.143
where: short stacking energy: -117.706
Base-Backbone interact. energy: 0.718
local terms energy: -211.617693
where:
bonds (distance) C4'-P energy: -66.421
bonds (distance) P-C4' energy: -76.319
flat angles C4'-P-C4' energy: -61.161
flat angles P-C4'-P energy: -27.942
tors. eta vs tors. theta energy: 20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1163.021783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.021783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.021783 (E_RNA)
where:
Base-Base interactions energy: -712.487
where: short stacking energy: -388.975
Base-Backbone interact. energy: -4.384
local terms energy: -446.151156
where:
bonds (distance) C4'-P energy: -85.164
bonds (distance) P-C4' energy: -96.379
flat angles C4'-P-C4' energy: -105.629
flat angles P-C4'-P energy: -62.435
tors. eta vs tors. theta energy: -96.545
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: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1104.897772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.897772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.897772 (E_RNA)
where:
Base-Base interactions energy: -652.991
where: short stacking energy: -369.335
Base-Backbone interact. energy: -0.845
local terms energy: -451.062012
where:
bonds (distance) C4'-P energy: -95.096
bonds (distance) P-C4' energy: -93.391
flat angles C4'-P-C4' energy: -93.986
flat angles P-C4'-P energy: -62.014
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -880.978504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.978504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.978504 (E_RNA)
where:
Base-Base interactions energy: -471.776
where: short stacking energy: -282.759
Base-Backbone interact. energy: 0.266
local terms energy: -409.468509
where:
bonds (distance) C4'-P energy: -89.076
bonds (distance) P-C4' energy: -90.837
flat angles C4'-P-C4' energy: -91.301
flat angles P-C4'-P energy: -67.452
tors. eta vs tors. theta energy: -70.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -774.869124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.869124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.869124 (E_RNA)
where:
Base-Base interactions energy: -400.678
where: short stacking energy: -235.190
Base-Backbone interact. energy: 2.124
local terms energy: -376.314354
where:
bonds (distance) C4'-P energy: -96.777
bonds (distance) P-C4' energy: -91.673
flat angles C4'-P-C4' energy: -85.125
flat angles P-C4'-P energy: -54.803
tors. eta vs tors. theta energy: -47.936
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: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -649.639524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.639524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.639524 (E_RNA)
where:
Base-Base interactions energy: -319.540
where: short stacking energy: -187.150
Base-Backbone interact. energy: -0.083
local terms energy: -330.017054
where:
bonds (distance) C4'-P energy: -85.320
bonds (distance) P-C4' energy: -87.616
flat angles C4'-P-C4' energy: -84.262
flat angles P-C4'-P energy: -52.904
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -574.595652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.595652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.595652 (E_RNA)
where:
Base-Base interactions energy: -263.027
where: short stacking energy: -195.509
Base-Backbone interact. energy: -0.786
local terms energy: -310.783023
where:
bonds (distance) C4'-P energy: -89.897
bonds (distance) P-C4' energy: -73.605
flat angles C4'-P-C4' energy: -80.018
flat angles P-C4'-P energy: -36.773
tors. eta vs tors. theta energy: -30.490
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: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -468.343157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.343157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.343157 (E_RNA)
where:
Base-Base interactions energy: -145.828
where: short stacking energy: -142.308
Base-Backbone interact. energy: 0.653
local terms energy: -323.167669
where:
bonds (distance) C4'-P energy: -90.613
bonds (distance) P-C4' energy: -95.216
flat angles C4'-P-C4' energy: -87.451
flat angles P-C4'-P energy: -48.140
tors. eta vs tors. theta energy: -1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -397.384110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.384110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.384110 (E_RNA)
where:
Base-Base interactions energy: -135.411
where: short stacking energy: -128.218
Base-Backbone interact. energy: -2.255
local terms energy: -259.718146
where:
bonds (distance) C4'-P energy: -74.989
bonds (distance) P-C4' energy: -81.096
flat angles C4'-P-C4' energy: -73.186
flat angles P-C4'-P energy: -39.490
tors. eta vs tors. theta energy: 9.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -371.109076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.109076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.109076 (E_RNA)
where:
Base-Base interactions energy: -116.806
where: short stacking energy: -101.756
Base-Backbone interact. energy: 5.151
local terms energy: -259.454102
where:
bonds (distance) C4'-P energy: -73.572
bonds (distance) P-C4' energy: -93.445
flat angles C4'-P-C4' energy: -55.731
flat angles P-C4'-P energy: -41.401
tors. eta vs tors. theta energy: 4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -357.819942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.819942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.819942 (E_RNA)
where:
Base-Base interactions energy: -130.429
where: short stacking energy: -100.414
Base-Backbone interact. energy: -1.381
local terms energy: -226.009445
where:
bonds (distance) C4'-P energy: -71.950
bonds (distance) P-C4' energy: -67.632
flat angles C4'-P-C4' energy: -63.917
flat angles P-C4'-P energy: -37.419
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1175.596944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.596944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.596944 (E_RNA)
where:
Base-Base interactions energy: -699.754
where: short stacking energy: -374.831
Base-Backbone interact. energy: -2.715
local terms energy: -473.128115
where:
bonds (distance) C4'-P energy: -93.508
bonds (distance) P-C4' energy: -102.425
flat angles C4'-P-C4' energy: -105.848
flat angles P-C4'-P energy: -70.285
tors. eta vs tors. theta energy: -101.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1140.132356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.132356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.132356 (E_RNA)
where:
Base-Base interactions energy: -674.238
where: short stacking energy: -390.537
Base-Backbone interact. energy: -2.707
local terms energy: -463.187300
where:
bonds (distance) C4'-P energy: -100.808
bonds (distance) P-C4' energy: -91.310
flat angles C4'-P-C4' energy: -100.360
flat angles P-C4'-P energy: -57.091
tors. eta vs tors. theta energy: -113.620
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: 9
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -913.676378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.676378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.676378 (E_RNA)
where:
Base-Base interactions energy: -502.240
where: short stacking energy: -305.843
Base-Backbone interact. energy: -1.117
local terms energy: -410.319879
where:
bonds (distance) C4'-P energy: -83.254
bonds (distance) P-C4' energy: -81.367
flat angles C4'-P-C4' energy: -95.194
flat angles P-C4'-P energy: -64.673
tors. eta vs tors. theta energy: -85.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -777.029379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.029379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.029379 (E_RNA)
where:
Base-Base interactions energy: -404.560
where: short stacking energy: -263.986
Base-Backbone interact. energy: -1.693
local terms energy: -370.776452
where:
bonds (distance) C4'-P energy: -93.456
bonds (distance) P-C4' energy: -97.918
flat angles C4'-P-C4' energy: -80.153
flat angles P-C4'-P energy: -32.363
tors. eta vs tors. theta energy: -66.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -624.369919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.369919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.369919 (E_RNA)
where:
Base-Base interactions energy: -284.539
where: short stacking energy: -195.354
Base-Backbone interact. energy: 0.184
local terms energy: -340.014437
where:
bonds (distance) C4'-P energy: -87.471
bonds (distance) P-C4' energy: -91.935
flat angles C4'-P-C4' energy: -73.018
flat angles P-C4'-P energy: -61.450
tors. eta vs tors. theta energy: -26.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -472.458453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.458453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.458453 (E_RNA)
where:
Base-Base interactions energy: -158.833
where: short stacking energy: -147.949
Base-Backbone interact. energy: -0.218
local terms energy: -313.407965
where:
bonds (distance) C4'-P energy: -75.715
bonds (distance) P-C4' energy: -86.110
flat angles C4'-P-C4' energy: -90.076
flat angles P-C4'-P energy: -54.626
tors. eta vs tors. theta energy: -6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -532.023148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.023148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.023148 (E_RNA)
where:
Base-Base interactions energy: -268.710
where: short stacking energy: -188.404
Base-Backbone interact. energy: 6.172
local terms energy: -269.484946
where:
bonds (distance) C4'-P energy: -61.486
bonds (distance) P-C4' energy: -72.117
flat angles C4'-P-C4' energy: -72.777
flat angles P-C4'-P energy: -43.110
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: 8, replica: 7
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -411.880977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.880977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.880977 (E_RNA)
where:
Base-Base interactions energy: -159.888
where: short stacking energy: -143.531
Base-Backbone interact. energy: 2.318
local terms energy: -254.310873
where:
bonds (distance) C4'-P energy: -66.703
bonds (distance) P-C4' energy: -84.849
flat angles C4'-P-C4' energy: -71.108
flat angles P-C4'-P energy: -34.655
tors. eta vs tors. theta energy: 3.005
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: 1
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -375.109514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.109514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.109514 (E_RNA)
where:
Base-Base interactions energy: -129.140
where: short stacking energy: -111.715
Base-Backbone interact. energy: 2.367
local terms energy: -248.336597
where:
bonds (distance) C4'-P energy: -66.171
bonds (distance) P-C4' energy: -80.633
flat angles C4'-P-C4' energy: -56.067
flat angles P-C4'-P energy: -55.627
tors. eta vs tors. theta energy: 10.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -356.510415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.510415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.510415 (E_RNA)
where:
Base-Base interactions energy: -132.127
where: short stacking energy: -111.336
Base-Backbone interact. energy: -1.652
local terms energy: -222.731516
where:
bonds (distance) C4'-P energy: -65.373
bonds (distance) P-C4' energy: -74.240
flat angles C4'-P-C4' energy: -53.006
flat angles P-C4'-P energy: -41.032
tors. eta vs tors. theta energy: 10.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1177.789611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.789611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.789611 (E_RNA)
where:
Base-Base interactions energy: -712.164
where: short stacking energy: -398.299
Base-Backbone interact. energy: -2.483
local terms energy: -463.141942
where:
bonds (distance) C4'-P energy: -94.270
bonds (distance) P-C4' energy: -96.891
flat angles C4'-P-C4' energy: -95.451
flat angles P-C4'-P energy: -67.155
tors. eta vs tors. theta energy: -109.375
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: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1097.557523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.557523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.557523 (E_RNA)
where:
Base-Base interactions energy: -619.986
where: short stacking energy: -380.847
Base-Backbone interact. energy: -1.697
local terms energy: -475.874729
where:
bonds (distance) C4'-P energy: -91.411
bonds (distance) P-C4' energy: -104.663
flat angles C4'-P-C4' energy: -92.392
flat angles P-C4'-P energy: -63.160
tors. eta vs tors. theta energy: -124.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -901.649952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.649952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.649952 (E_RNA)
where:
Base-Base interactions energy: -488.529
where: short stacking energy: -311.287
Base-Backbone interact. energy: 1.101
local terms energy: -414.221691
where:
bonds (distance) C4'-P energy: -84.884
bonds (distance) P-C4' energy: -91.640
flat angles C4'-P-C4' energy: -92.753
flat angles P-C4'-P energy: -68.552
tors. eta vs tors. theta energy: -76.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -821.732365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.732365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.732365 (E_RNA)
where:
Base-Base interactions energy: -447.506
where: short stacking energy: -278.671
Base-Backbone interact. energy: -0.384
local terms energy: -373.842340
where:
bonds (distance) C4'-P energy: -87.053
bonds (distance) P-C4' energy: -84.730
flat angles C4'-P-C4' energy: -94.435
flat angles P-C4'-P energy: -53.432
tors. eta vs tors. theta energy: -54.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -630.483958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.483958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.483958 (E_RNA)
where:
Base-Base interactions energy: -296.616
where: short stacking energy: -216.199
Base-Backbone interact. energy: -1.286
local terms energy: -332.581902
where:
bonds (distance) C4'-P energy: -75.959
bonds (distance) P-C4' energy: -94.779
flat angles C4'-P-C4' energy: -84.914
flat angles P-C4'-P energy: -52.323
tors. eta vs tors. theta energy: -24.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -515.021089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.021089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.021089 (E_RNA)
where:
Base-Base interactions energy: -192.919
where: short stacking energy: -159.377
Base-Backbone interact. energy: 1.174
local terms energy: -323.276267
where:
bonds (distance) C4'-P energy: -82.948
bonds (distance) P-C4' energy: -95.959
flat angles C4'-P-C4' energy: -95.083
flat angles P-C4'-P energy: -35.527
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -519.181448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.181448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.181448 (E_RNA)
where:
Base-Base interactions energy: -209.880
where: short stacking energy: -142.857
Base-Backbone interact. energy: -0.412
local terms energy: -308.889429
where:
bonds (distance) C4'-P energy: -90.632
bonds (distance) P-C4' energy: -78.767
flat angles C4'-P-C4' energy: -64.077
flat angles P-C4'-P energy: -55.389
tors. eta vs tors. theta energy: -20.025
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: 7
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -418.036026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.036026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.036026 (E_RNA)
where:
Base-Base interactions energy: -151.930
where: short stacking energy: -128.464
Base-Backbone interact. energy: -0.987
local terms energy: -265.119425
where:
bonds (distance) C4'-P energy: -79.855
bonds (distance) P-C4' energy: -82.566
flat angles C4'-P-C4' energy: -55.680
flat angles P-C4'-P energy: -35.024
tors. eta vs tors. theta energy: -11.995
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: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -375.773550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.773550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.773550 (E_RNA)
where:
Base-Base interactions energy: -131.512
where: short stacking energy: -116.197
Base-Backbone interact. energy: -1.113
local terms energy: -243.149255
where:
bonds (distance) C4'-P energy: -67.248
bonds (distance) P-C4' energy: -75.342
flat angles C4'-P-C4' energy: -59.426
flat angles P-C4'-P energy: -42.809
tors. eta vs tors. theta energy: 1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -360.850460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.850460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.850460 (E_RNA)
where:
Base-Base interactions energy: -116.528
where: short stacking energy: -107.364
Base-Backbone interact. energy: -0.126
local terms energy: -244.196605
where:
bonds (distance) C4'-P energy: -71.350
bonds (distance) P-C4' energy: -81.517
flat angles C4'-P-C4' energy: -60.021
flat angles P-C4'-P energy: -33.096
tors. eta vs tors. theta energy: 1.787
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1172.978423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.978423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.978423 (E_RNA)
where:
Base-Base interactions energy: -708.814
where: short stacking energy: -384.935
Base-Backbone interact. energy: -3.692
local terms energy: -460.472171
where:
bonds (distance) C4'-P energy: -98.602
bonds (distance) P-C4' energy: -92.317
flat angles C4'-P-C4' energy: -104.011
flat angles P-C4'-P energy: -59.359
tors. eta vs tors. theta energy: -106.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1106.523587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.523587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.523587 (E_RNA)
where:
Base-Base interactions energy: -648.661
where: short stacking energy: -399.811
Base-Backbone interact. energy: 2.480
local terms energy: -460.342132
where:
bonds (distance) C4'-P energy: -97.768
bonds (distance) P-C4' energy: -100.694
flat angles C4'-P-C4' energy: -97.956
flat angles P-C4'-P energy: -55.892
tors. eta vs tors. theta energy: -108.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -918.900896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.900896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.900896 (E_RNA)
where:
Base-Base interactions energy: -500.505
where: short stacking energy: -311.573
Base-Backbone interact. energy: -2.385
local terms energy: -416.011160
where:
bonds (distance) C4'-P energy: -88.527
bonds (distance) P-C4' energy: -97.150
flat angles C4'-P-C4' energy: -95.980
flat angles P-C4'-P energy: -50.757
tors. eta vs tors. theta energy: -83.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -850.803524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.803524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.803524 (E_RNA)
where:
Base-Base interactions energy: -460.734
where: short stacking energy: -285.384
Base-Backbone interact. energy: -2.009
local terms energy: -388.061083
where:
bonds (distance) C4'-P energy: -87.383
bonds (distance) P-C4' energy: -90.519
flat angles C4'-P-C4' energy: -91.169
flat angles P-C4'-P energy: -55.190
tors. eta vs tors. theta energy: -63.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -656.263611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.263611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.263611 (E_RNA)
where:
Base-Base interactions energy: -303.638
where: short stacking energy: -234.455
Base-Backbone interact. energy: 0.779
local terms energy: -353.404778
where:
bonds (distance) C4'-P energy: -69.104
bonds (distance) P-C4' energy: -86.479
flat angles C4'-P-C4' energy: -91.921
flat angles P-C4'-P energy: -58.313
tors. eta vs tors. theta energy: -47.587
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: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -570.460115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.460115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.460115 (E_RNA)
where:
Base-Base interactions energy: -235.324
where: short stacking energy: -171.001
Base-Backbone interact. energy: -0.841
local terms energy: -334.295136
where:
bonds (distance) C4'-P energy: -88.884
bonds (distance) P-C4' energy: -75.041
flat angles C4'-P-C4' energy: -67.254
flat angles P-C4'-P energy: -64.131
tors. eta vs tors. theta energy: -38.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -478.532665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.532665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.532665 (E_RNA)
where:
Base-Base interactions energy: -183.320
where: short stacking energy: -152.662
Base-Backbone interact. energy: -0.492
local terms energy: -294.720591
where:
bonds (distance) C4'-P energy: -75.456
bonds (distance) P-C4' energy: -84.915
flat angles C4'-P-C4' energy: -79.948
flat angles P-C4'-P energy: -49.762
tors. eta vs tors. theta energy: -4.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -411.063979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.063979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.063979 (E_RNA)
where:
Base-Base interactions energy: -133.969
where: short stacking energy: -116.889
Base-Backbone interact. energy: -1.128
local terms energy: -275.966523
where:
bonds (distance) C4'-P energy: -76.986
bonds (distance) P-C4' energy: -83.553
flat angles C4'-P-C4' energy: -82.798
flat angles P-C4'-P energy: -45.341
tors. eta vs tors. theta energy: 12.712
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: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -371.828846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.828846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.828846 (E_RNA)
where:
Base-Base interactions energy: -128.088
where: short stacking energy: -114.232
Base-Backbone interact. energy: -0.813
local terms energy: -242.926988
where:
bonds (distance) C4'-P energy: -69.802
bonds (distance) P-C4' energy: -86.869
flat angles C4'-P-C4' energy: -57.086
flat angles P-C4'-P energy: -30.224
tors. eta vs tors. theta energy: 1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -382.824053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.824053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.824053 (E_RNA)
where:
Base-Base interactions energy: -101.769
where: short stacking energy: -80.074
Base-Backbone interact. energy: -0.054
local terms energy: -281.000984
where:
bonds (distance) C4'-P energy: -87.013
bonds (distance) P-C4' energy: -87.949
flat angles C4'-P-C4' energy: -72.617
flat angles P-C4'-P energy: -53.143
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1208.419574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.419574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.419574 (E_RNA)
where:
Base-Base interactions energy: -723.358
where: short stacking energy: -412.991
Base-Backbone interact. energy: -2.767
local terms energy: -482.293852
where:
bonds (distance) C4'-P energy: -93.918
bonds (distance) P-C4' energy: -90.710
flat angles C4'-P-C4' energy: -111.749
flat angles P-C4'-P energy: -67.166
tors. eta vs tors. theta energy: -118.750
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: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1104.360060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.360060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.360060 (E_RNA)
where:
Base-Base interactions energy: -656.440
where: short stacking energy: -396.940
Base-Backbone interact. energy: -1.097
local terms energy: -446.822659
where:
bonds (distance) C4'-P energy: -89.083
bonds (distance) P-C4' energy: -87.996
flat angles C4'-P-C4' energy: -97.343
flat angles P-C4'-P energy: -57.435
tors. eta vs tors. theta energy: -114.965
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: 9
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -947.653629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.653629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.653629 (E_RNA)
where:
Base-Base interactions energy: -515.357
where: short stacking energy: -318.041
Base-Backbone interact. energy: -2.012
local terms energy: -430.283694
where:
bonds (distance) C4'-P energy: -95.068
bonds (distance) P-C4' energy: -96.440
flat angles C4'-P-C4' energy: -99.716
flat angles P-C4'-P energy: -48.286
tors. eta vs tors. theta energy: -90.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -879.189298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.189298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.189298 (E_RNA)
where:
Base-Base interactions energy: -495.043
where: short stacking energy: -319.327
Base-Backbone interact. energy: -0.521
local terms energy: -383.625500
where:
bonds (distance) C4'-P energy: -77.796
bonds (distance) P-C4' energy: -89.024
flat angles C4'-P-C4' energy: -87.208
flat angles P-C4'-P energy: -50.810
tors. eta vs tors. theta energy: -78.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -584.802720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.802720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.802720 (E_RNA)
where:
Base-Base interactions energy: -250.002
where: short stacking energy: -177.486
Base-Backbone interact. energy: 0.120
local terms energy: -334.920662
where:
bonds (distance) C4'-P energy: -95.452
bonds (distance) P-C4' energy: -95.059
flat angles C4'-P-C4' energy: -77.275
flat angles P-C4'-P energy: -47.910
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -637.341068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.341068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.341068 (E_RNA)
where:
Base-Base interactions energy: -295.891
where: short stacking energy: -205.828
Base-Backbone interact. energy: 0.336
local terms energy: -341.786096
where:
bonds (distance) C4'-P energy: -77.731
bonds (distance) P-C4' energy: -90.282
flat angles C4'-P-C4' energy: -76.719
flat angles P-C4'-P energy: -55.057
tors. eta vs tors. theta energy: -41.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -484.724006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.724006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.724006 (E_RNA)
where:
Base-Base interactions energy: -177.045
where: short stacking energy: -151.473
Base-Backbone interact. energy: 1.254
local terms energy: -308.932718
where:
bonds (distance) C4'-P energy: -81.207
bonds (distance) P-C4' energy: -85.611
flat angles C4'-P-C4' energy: -69.953
flat angles P-C4'-P energy: -50.543
tors. eta vs tors. theta energy: -21.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -403.593581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.593581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.593581 (E_RNA)
where:
Base-Base interactions energy: -111.885
where: short stacking energy: -102.862
Base-Backbone interact. energy: 5.281
local terms energy: -296.989114
where:
bonds (distance) C4'-P energy: -79.963
bonds (distance) P-C4' energy: -87.317
flat angles C4'-P-C4' energy: -64.342
flat angles P-C4'-P energy: -49.396
tors. eta vs tors. theta energy: -15.971
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: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -387.292890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.292890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.292890 (E_RNA)
where:
Base-Base interactions energy: -164.085
where: short stacking energy: -131.593
Base-Backbone interact. energy: -1.520
local terms energy: -221.687485
where:
bonds (distance) C4'-P energy: -68.560
bonds (distance) P-C4' energy: -73.518
flat angles C4'-P-C4' energy: -41.790
flat angles P-C4'-P energy: -43.576
tors. eta vs tors. theta energy: 5.756
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: 1
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -370.003115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.003115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.003115 (E_RNA)
where:
Base-Base interactions energy: -115.282
where: short stacking energy: -109.945
Base-Backbone interact. energy: 0.105
local terms energy: -254.825767
where:
bonds (distance) C4'-P energy: -70.053
bonds (distance) P-C4' energy: -76.353
flat angles C4'-P-C4' energy: -71.354
flat angles P-C4'-P energy: -42.313
tors. eta vs tors. theta energy: 5.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1229.313838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.313838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.313838 (E_RNA)
where:
Base-Base interactions energy: -764.783
where: short stacking energy: -428.224
Base-Backbone interact. energy: -0.495
local terms energy: -464.036451
where:
bonds (distance) C4'-P energy: -87.778
bonds (distance) P-C4' energy: -85.366
flat angles C4'-P-C4' energy: -100.612
flat angles P-C4'-P energy: -71.556
tors. eta vs tors. theta energy: -118.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1058.887982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.887982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.887982 (E_RNA)
where:
Base-Base interactions energy: -615.655
where: short stacking energy: -389.112
Base-Backbone interact. energy: -0.728
local terms energy: -442.505920
where:
bonds (distance) C4'-P energy: -86.138
bonds (distance) P-C4' energy: -96.647
flat angles C4'-P-C4' energy: -107.049
flat angles P-C4'-P energy: -55.911
tors. eta vs tors. theta energy: -96.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -930.780178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.780178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.780178 (E_RNA)
where:
Base-Base interactions energy: -516.795
where: short stacking energy: -335.451
Base-Backbone interact. energy: 1.424
local terms energy: -415.408946
where:
bonds (distance) C4'-P energy: -89.493
bonds (distance) P-C4' energy: -84.297
flat angles C4'-P-C4' energy: -93.151
flat angles P-C4'-P energy: -61.429
tors. eta vs tors. theta energy: -87.039
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: 4, replica: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -888.347719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.347719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.347719 (E_RNA)
where:
Base-Base interactions energy: -486.014
where: short stacking energy: -295.988
Base-Backbone interact. energy: -2.944
local terms energy: -399.389399
where:
bonds (distance) C4'-P energy: -78.186
bonds (distance) P-C4' energy: -85.627
flat angles C4'-P-C4' energy: -82.905
flat angles P-C4'-P energy: -67.008
tors. eta vs tors. theta energy: -85.663
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: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -614.932317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.932317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.932317 (E_RNA)
where:
Base-Base interactions energy: -276.451
where: short stacking energy: -197.301
Base-Backbone interact. energy: -2.114
local terms energy: -336.367149
where:
bonds (distance) C4'-P energy: -79.078
bonds (distance) P-C4' energy: -86.094
flat angles C4'-P-C4' energy: -75.439
flat angles P-C4'-P energy: -57.743
tors. eta vs tors. theta energy: -38.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -505.846985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.846985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.846985 (E_RNA)
where:
Base-Base interactions energy: -216.322
where: short stacking energy: -146.623
Base-Backbone interact. energy: 0.794
local terms energy: -290.318634
where:
bonds (distance) C4'-P energy: -86.332
bonds (distance) P-C4' energy: -79.564
flat angles C4'-P-C4' energy: -74.622
flat angles P-C4'-P energy: -40.958
tors. eta vs tors. theta energy: -8.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -519.968118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.968118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.968118 (E_RNA)
where:
Base-Base interactions energy: -234.376
where: short stacking energy: -170.143
Base-Backbone interact. energy: 0.078
local terms energy: -285.670473
where:
bonds (distance) C4'-P energy: -47.071
bonds (distance) P-C4' energy: -95.429
flat angles C4'-P-C4' energy: -91.372
flat angles P-C4'-P energy: -35.977
tors. eta vs tors. theta energy: -15.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -434.978567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.978567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.978567 (E_RNA)
where:
Base-Base interactions energy: -137.841
where: short stacking energy: -107.890
Base-Backbone interact. energy: -0.335
local terms energy: -296.802610
where:
bonds (distance) C4'-P energy: -75.970
bonds (distance) P-C4' energy: -85.442
flat angles C4'-P-C4' energy: -80.625
flat angles P-C4'-P energy: -53.744
tors. eta vs tors. theta energy: -1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -387.727067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.727067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.727067 (E_RNA)
where:
Base-Base interactions energy: -117.191
where: short stacking energy: -106.659
Base-Backbone interact. energy: 0.046
local terms energy: -270.582683
where:
bonds (distance) C4'-P energy: -66.986
bonds (distance) P-C4' energy: -85.996
flat angles C4'-P-C4' energy: -66.736
flat angles P-C4'-P energy: -48.137
tors. eta vs tors. theta energy: -2.726
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: 10, replica: 1
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -345.212470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.212470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.212470 (E_RNA)
where:
Base-Base interactions energy: -119.594
where: short stacking energy: -95.740
Base-Backbone interact. energy: -0.587
local terms energy: -225.031121
where:
bonds (distance) C4'-P energy: -81.376
bonds (distance) P-C4' energy: -77.605
flat angles C4'-P-C4' energy: -54.903
flat angles P-C4'-P energy: -22.117
tors. eta vs tors. theta energy: 10.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1222.417319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.417319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.417319 (E_RNA)
where:
Base-Base interactions energy: -738.238
where: short stacking energy: -414.948
Base-Backbone interact. energy: -1.184
local terms energy: -482.995354
where:
bonds (distance) C4'-P energy: -96.206
bonds (distance) P-C4' energy: -95.994
flat angles C4'-P-C4' energy: -107.750
flat angles P-C4'-P energy: -61.771
tors. eta vs tors. theta energy: -121.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1057.208044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.208044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.208044 (E_RNA)
where:
Base-Base interactions energy: -594.253
where: short stacking energy: -359.066
Base-Backbone interact. energy: -1.399
local terms energy: -461.556540
where:
bonds (distance) C4'-P energy: -98.998
bonds (distance) P-C4' energy: -101.223
flat angles C4'-P-C4' energy: -100.972
flat angles P-C4'-P energy: -50.474
tors. eta vs tors. theta energy: -109.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -890.093683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.093683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.093683 (E_RNA)
where:
Base-Base interactions energy: -481.288
where: short stacking energy: -312.287
Base-Backbone interact. energy: -0.022
local terms energy: -408.782905
where:
bonds (distance) C4'-P energy: -87.848
bonds (distance) P-C4' energy: -86.095
flat angles C4'-P-C4' energy: -93.922
flat angles P-C4'-P energy: -58.226
tors. eta vs tors. theta energy: -82.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -917.070001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.070001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.070001 (E_RNA)
where:
Base-Base interactions energy: -514.005
where: short stacking energy: -312.080
Base-Backbone interact. energy: -2.427
local terms energy: -400.637864
where:
bonds (distance) C4'-P energy: -88.563
bonds (distance) P-C4' energy: -89.044
flat angles C4'-P-C4' energy: -85.703
flat angles P-C4'-P energy: -55.561
tors. eta vs tors. theta energy: -81.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -581.705538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.705538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.705538 (E_RNA)
where:
Base-Base interactions energy: -274.495
where: short stacking energy: -199.510
Base-Backbone interact. energy: -0.992
local terms energy: -306.218168
where:
bonds (distance) C4'-P energy: -70.021
bonds (distance) P-C4' energy: -77.823
flat angles C4'-P-C4' energy: -85.959
flat angles P-C4'-P energy: -57.379
tors. eta vs tors. theta energy: -15.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -532.695954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.695954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.695954 (E_RNA)
where:
Base-Base interactions energy: -184.998
where: short stacking energy: -176.070
Base-Backbone interact. energy: -0.340
local terms energy: -347.357878
where:
bonds (distance) C4'-P energy: -76.265
bonds (distance) P-C4' energy: -94.110
flat angles C4'-P-C4' energy: -88.378
flat angles P-C4'-P energy: -56.064
tors. eta vs tors. theta energy: -32.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -519.845707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.845707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.845707 (E_RNA)
where:
Base-Base interactions energy: -221.756
where: short stacking energy: -161.049
Base-Backbone interact. energy: -1.537
local terms energy: -296.552374
where:
bonds (distance) C4'-P energy: -79.240
bonds (distance) P-C4' energy: -74.235
flat angles C4'-P-C4' energy: -71.622
flat angles P-C4'-P energy: -61.018
tors. eta vs tors. theta energy: -10.438
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: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -449.235514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.235514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.235514 (E_RNA)
where:
Base-Base interactions energy: -171.888
where: short stacking energy: -154.330
Base-Backbone interact. energy: 3.112
local terms energy: -280.459462
where:
bonds (distance) C4'-P energy: -68.480
bonds (distance) P-C4' energy: -85.922
flat angles C4'-P-C4' energy: -69.591
flat angles P-C4'-P energy: -38.084
tors. eta vs tors. theta energy: -18.382
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: 1
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -383.857314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.857314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.857314 (E_RNA)
where:
Base-Base interactions energy: -110.334
where: short stacking energy: -106.665
Base-Backbone interact. energy: -2.598
local terms energy: -270.924979
where:
bonds (distance) C4'-P energy: -74.037
bonds (distance) P-C4' energy: -94.351
flat angles C4'-P-C4' energy: -78.460
flat angles P-C4'-P energy: -38.726
tors. eta vs tors. theta energy: 14.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -353.111994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.111994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.111994 (E_RNA)
where:
Base-Base interactions energy: -116.460
where: short stacking energy: -99.508
Base-Backbone interact. energy: 4.407
local terms energy: -241.059344
where:
bonds (distance) C4'-P energy: -61.914
bonds (distance) P-C4' energy: -91.577
flat angles C4'-P-C4' energy: -61.523
flat angles P-C4'-P energy: -35.880
tors. eta vs tors. theta energy: 9.834
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1242.544560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.544560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.544560 (E_RNA)
where:
Base-Base interactions energy: -762.254
where: short stacking energy: -430.791
Base-Backbone interact. energy: -2.172
local terms energy: -478.117945
where:
bonds (distance) C4'-P energy: -97.476
bonds (distance) P-C4' energy: -91.711
flat angles C4'-P-C4' energy: -102.135
flat angles P-C4'-P energy: -67.314
tors. eta vs tors. theta energy: -119.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1097.126234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.126234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.126234 (E_RNA)
where:
Base-Base interactions energy: -652.257
where: short stacking energy: -393.378
Base-Backbone interact. energy: -1.295
local terms energy: -443.574195
where:
bonds (distance) C4'-P energy: -87.881
bonds (distance) P-C4' energy: -96.200
flat angles C4'-P-C4' energy: -89.741
flat angles P-C4'-P energy: -56.210
tors. eta vs tors. theta energy: -113.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -923.625385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.625385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.625385 (E_RNA)
where:
Base-Base interactions energy: -510.442
where: short stacking energy: -314.421
Base-Backbone interact. energy: 2.057
local terms energy: -415.240594
where:
bonds (distance) C4'-P energy: -82.331
bonds (distance) P-C4' energy: -89.879
flat angles C4'-P-C4' energy: -95.609
flat angles P-C4'-P energy: -61.651
tors. eta vs tors. theta energy: -85.771
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: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -891.522229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.522229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.522229 (E_RNA)
where:
Base-Base interactions energy: -491.556
where: short stacking energy: -306.014
Base-Backbone interact. energy: 0.576
local terms energy: -400.542039
where:
bonds (distance) C4'-P energy: -76.732
bonds (distance) P-C4' energy: -93.385
flat angles C4'-P-C4' energy: -86.779
flat angles P-C4'-P energy: -58.139
tors. eta vs tors. theta energy: -85.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -601.637854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.637854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.637854 (E_RNA)
where:
Base-Base interactions energy: -259.439
where: short stacking energy: -193.328
Base-Backbone interact. energy: -1.494
local terms energy: -340.704798
where:
bonds (distance) C4'-P energy: -84.277
bonds (distance) P-C4' energy: -94.302
flat angles C4'-P-C4' energy: -78.019
flat angles P-C4'-P energy: -63.151
tors. eta vs tors. theta energy: -20.956
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: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -635.932954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.932954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.932954 (E_RNA)
where:
Base-Base interactions energy: -317.916
where: short stacking energy: -171.106
Base-Backbone interact. energy: 0.411
local terms energy: -318.428025
where:
bonds (distance) C4'-P energy: -77.474
bonds (distance) P-C4' energy: -92.748
flat angles C4'-P-C4' energy: -77.198
flat angles P-C4'-P energy: -30.381
tors. eta vs tors. theta energy: -40.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -441.098030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.098030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.098030 (E_RNA)
where:
Base-Base interactions energy: -151.094
where: short stacking energy: -141.936
Base-Backbone interact. energy: -1.594
local terms energy: -288.410241
where:
bonds (distance) C4'-P energy: -89.894
bonds (distance) P-C4' energy: -76.248
flat angles C4'-P-C4' energy: -72.258
flat angles P-C4'-P energy: -54.872
tors. eta vs tors. theta energy: 4.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -420.238840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.238840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.238840 (E_RNA)
where:
Base-Base interactions energy: -157.776
where: short stacking energy: -157.335
Base-Backbone interact. energy: 0.242
local terms energy: -262.705192
where:
bonds (distance) C4'-P energy: -74.549
bonds (distance) P-C4' energy: -85.426
flat angles C4'-P-C4' energy: -71.589
flat angles P-C4'-P energy: -21.352
tors. eta vs tors. theta energy: -9.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -390.540359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.540359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.540359 (E_RNA)
where:
Base-Base interactions energy: -119.265
where: short stacking energy: -94.682
Base-Backbone interact. energy: -0.398
local terms energy: -270.877421
where:
bonds (distance) C4'-P energy: -68.651
bonds (distance) P-C4' energy: -82.836
flat angles C4'-P-C4' energy: -79.243
flat angles P-C4'-P energy: -50.565
tors. eta vs tors. theta energy: 10.418
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: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -357.447663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.447663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.447663 (E_RNA)
where:
Base-Base interactions energy: -112.791
where: short stacking energy: -104.613
Base-Backbone interact. energy: -0.041
local terms energy: -244.615242
where:
bonds (distance) C4'-P energy: -80.942
bonds (distance) P-C4' energy: -67.956
flat angles C4'-P-C4' energy: -61.173
flat angles P-C4'-P energy: -41.434
tors. eta vs tors. theta energy: 6.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1255.432219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.432219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.432219 (E_RNA)
where:
Base-Base interactions energy: -759.466
where: short stacking energy: -430.700
Base-Backbone interact. energy: -2.541
local terms energy: -493.425739
where:
bonds (distance) C4'-P energy: -93.664
bonds (distance) P-C4' energy: -97.385
flat angles C4'-P-C4' energy: -101.738
flat angles P-C4'-P energy: -68.637
tors. eta vs tors. theta energy: -132.003
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: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1101.353920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.353920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.353920 (E_RNA)
where:
Base-Base interactions energy: -665.346
where: short stacking energy: -392.870
Base-Backbone interact. energy: -1.912
local terms energy: -434.096333
where:
bonds (distance) C4'-P energy: -87.250
bonds (distance) P-C4' energy: -85.866
flat angles C4'-P-C4' energy: -88.479
flat angles P-C4'-P energy: -67.852
tors. eta vs tors. theta energy: -104.650
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: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -938.898312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.898312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.898312 (E_RNA)
where:
Base-Base interactions energy: -502.721
where: short stacking energy: -327.367
Base-Backbone interact. energy: 0.578
local terms energy: -436.755813
where:
bonds (distance) C4'-P energy: -79.333
bonds (distance) P-C4' energy: -99.473
flat angles C4'-P-C4' energy: -99.926
flat angles P-C4'-P energy: -64.531
tors. eta vs tors. theta energy: -93.493
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: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -882.017563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.017563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.017563 (E_RNA)
where:
Base-Base interactions energy: -482.818
where: short stacking energy: -273.786
Base-Backbone interact. energy: -1.112
local terms energy: -398.087582
where:
bonds (distance) C4'-P energy: -84.419
bonds (distance) P-C4' energy: -91.593
flat angles C4'-P-C4' energy: -85.997
flat angles P-C4'-P energy: -56.020
tors. eta vs tors. theta energy: -80.057
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: 5
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -616.391537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.391537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.391537 (E_RNA)
where:
Base-Base interactions energy: -268.263
where: short stacking energy: -201.595
Base-Backbone interact. energy: -2.637
local terms energy: -345.491456
where:
bonds (distance) C4'-P energy: -79.511
bonds (distance) P-C4' energy: -94.103
flat angles C4'-P-C4' energy: -83.406
flat angles P-C4'-P energy: -53.673
tors. eta vs tors. theta energy: -34.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -675.092535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.092535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.092535 (E_RNA)
where:
Base-Base interactions energy: -320.792
where: short stacking energy: -203.014
Base-Backbone interact. energy: 0.425
local terms energy: -354.725913
where:
bonds (distance) C4'-P energy: -81.429
bonds (distance) P-C4' energy: -85.448
flat angles C4'-P-C4' energy: -83.029
flat angles P-C4'-P energy: -67.305
tors. eta vs tors. theta energy: -37.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -458.423359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.423359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.423359 (E_RNA)
where:
Base-Base interactions energy: -184.099
where: short stacking energy: -141.969
Base-Backbone interact. energy: 1.862
local terms energy: -276.186508
where:
bonds (distance) C4'-P energy: -85.152
bonds (distance) P-C4' energy: -88.580
flat angles C4'-P-C4' energy: -73.733
flat angles P-C4'-P energy: -32.066
tors. eta vs tors. theta energy: 3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -419.931285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.931285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.931285 (E_RNA)
where:
Base-Base interactions energy: -145.321
where: short stacking energy: -133.199
Base-Backbone interact. energy: -2.291
local terms energy: -272.319263
where:
bonds (distance) C4'-P energy: -85.234
bonds (distance) P-C4' energy: -59.667
flat angles C4'-P-C4' energy: -72.427
flat angles P-C4'-P energy: -46.039
tors. eta vs tors. theta energy: -8.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -403.432774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.432774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.432774 (E_RNA)
where:
Base-Base interactions energy: -150.690
where: short stacking energy: -104.555
Base-Backbone interact. energy: -2.250
local terms energy: -250.492544
where:
bonds (distance) C4'-P energy: -78.276
bonds (distance) P-C4' energy: -74.681
flat angles C4'-P-C4' energy: -57.177
flat angles P-C4'-P energy: -40.772
tors. eta vs tors. theta energy: 0.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -358.154172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.154172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.154172 (E_RNA)
where:
Base-Base interactions energy: -122.631
where: short stacking energy: -112.253
Base-Backbone interact. energy: -0.018
local terms energy: -235.504775
where:
bonds (distance) C4'-P energy: -62.228
bonds (distance) P-C4' energy: -76.975
flat angles C4'-P-C4' energy: -76.799
flat angles P-C4'-P energy: -26.651
tors. eta vs tors. theta energy: 7.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1225.471020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.471020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.471020 (E_RNA)
where:
Base-Base interactions energy: -747.342
where: short stacking energy: -416.382
Base-Backbone interact. energy: -1.325
local terms energy: -476.803998
where:
bonds (distance) C4'-P energy: -93.572
bonds (distance) P-C4' energy: -100.125
flat angles C4'-P-C4' energy: -95.235
flat angles P-C4'-P energy: -60.487
tors. eta vs tors. theta energy: -127.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1076.135697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.135697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.135697 (E_RNA)
where:
Base-Base interactions energy: -628.230
where: short stacking energy: -373.228
Base-Backbone interact. energy: 0.355
local terms energy: -448.260658
where:
bonds (distance) C4'-P energy: -96.060
bonds (distance) P-C4' energy: -93.907
flat angles C4'-P-C4' energy: -93.013
flat angles P-C4'-P energy: -53.624
tors. eta vs tors. theta energy: -111.657
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: 3, replica: 2
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -878.702409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.702409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.702409 (E_RNA)
where:
Base-Base interactions energy: -460.877
where: short stacking energy: -299.107
Base-Backbone interact. energy: -1.388
local terms energy: -416.437908
where:
bonds (distance) C4'-P energy: -87.548
bonds (distance) P-C4' energy: -101.630
flat angles C4'-P-C4' energy: -96.179
flat angles P-C4'-P energy: -59.075
tors. eta vs tors. theta energy: -72.006
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: 9
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -919.661840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.661840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.661840 (E_RNA)
where:
Base-Base interactions energy: -523.180
where: short stacking energy: -320.314
Base-Backbone interact. energy: 1.610
local terms energy: -398.091677
where:
bonds (distance) C4'-P energy: -76.919
bonds (distance) P-C4' energy: -78.198
flat angles C4'-P-C4' energy: -93.871
flat angles P-C4'-P energy: -63.673
tors. eta vs tors. theta energy: -85.431
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: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -609.591999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.591999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.591999 (E_RNA)
where:
Base-Base interactions energy: -288.634
where: short stacking energy: -190.948
Base-Backbone interact. energy: -0.902
local terms energy: -320.055161
where:
bonds (distance) C4'-P energy: -82.569
bonds (distance) P-C4' energy: -88.543
flat angles C4'-P-C4' energy: -69.343
flat angles P-C4'-P energy: -59.744
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -681.925179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.925179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.925179 (E_RNA)
where:
Base-Base interactions energy: -332.985
where: short stacking energy: -194.272
Base-Backbone interact. energy: 1.710
local terms energy: -350.650657
where:
bonds (distance) C4'-P energy: -77.059
bonds (distance) P-C4' energy: -97.759
flat angles C4'-P-C4' energy: -82.793
flat angles P-C4'-P energy: -55.509
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: 293
Temperature: 1.200000
Total energy: -449.963214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.963214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.963214 (E_RNA)
where:
Base-Base interactions energy: -161.681
where: short stacking energy: -137.695
Base-Backbone interact. energy: -0.082
local terms energy: -288.199929
where:
bonds (distance) C4'-P energy: -82.294
bonds (distance) P-C4' energy: -89.191
flat angles C4'-P-C4' energy: -73.461
flat angles P-C4'-P energy: -39.737
tors. eta vs tors. theta energy: -3.517
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: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -420.074153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.074153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.074153 (E_RNA)
where:
Base-Base interactions energy: -156.083
where: short stacking energy: -139.793
Base-Backbone interact. energy: 0.210
local terms energy: -264.200615
where:
bonds (distance) C4'-P energy: -78.991
bonds (distance) P-C4' energy: -76.187
flat angles C4'-P-C4' energy: -56.179
flat angles P-C4'-P energy: -51.083
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -392.889764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.889764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.889764 (E_RNA)
where:
Base-Base interactions energy: -146.541
where: short stacking energy: -115.794
Base-Backbone interact. energy: -2.705
local terms energy: -243.644285
where:
bonds (distance) C4'-P energy: -68.128
bonds (distance) P-C4' energy: -88.574
flat angles C4'-P-C4' energy: -77.967
flat angles P-C4'-P energy: -24.964
tors. eta vs tors. theta energy: 15.989
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: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -354.739473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.739473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.739473 (E_RNA)
where:
Base-Base interactions energy: -128.910
where: short stacking energy: -127.921
Base-Backbone interact. energy: 1.449
local terms energy: -227.278112
where:
bonds (distance) C4'-P energy: -70.612
bonds (distance) P-C4' energy: -77.177
flat angles C4'-P-C4' energy: -58.910
flat angles P-C4'-P energy: -26.156
tors. eta vs tors. theta energy: 5.576
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1208.758058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.758058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.758058 (E_RNA)
where:
Base-Base interactions energy: -742.860
where: short stacking energy: -406.878
Base-Backbone interact. energy: -1.789
local terms energy: -464.108509
where:
bonds (distance) C4'-P energy: -82.894
bonds (distance) P-C4' energy: -101.213
flat angles C4'-P-C4' energy: -103.520
flat angles P-C4'-P energy: -69.889
tors. eta vs tors. theta energy: -106.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1058.993441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.993441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.993441 (E_RNA)
where:
Base-Base interactions energy: -606.656
where: short stacking energy: -370.328
Base-Backbone interact. energy: 0.617
local terms energy: -452.953993
where:
bonds (distance) C4'-P energy: -93.563
bonds (distance) P-C4' energy: -99.651
flat angles C4'-P-C4' energy: -90.627
flat angles P-C4'-P energy: -64.650
tors. eta vs tors. theta energy: -104.463
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: 3, replica: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -921.913480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.913480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.913480 (E_RNA)
where:
Base-Base interactions energy: -514.000
where: short stacking energy: -309.919
Base-Backbone interact. energy: -1.326
local terms energy: -406.587973
where:
bonds (distance) C4'-P energy: -82.769
bonds (distance) P-C4' energy: -86.157
flat angles C4'-P-C4' energy: -98.391
flat angles P-C4'-P energy: -57.597
tors. eta vs tors. theta energy: -81.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -859.749330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.749330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.749330 (E_RNA)
where:
Base-Base interactions energy: -462.992
where: short stacking energy: -287.413
Base-Backbone interact. energy: 1.828
local terms energy: -398.585005
where:
bonds (distance) C4'-P energy: -89.691
bonds (distance) P-C4' energy: -85.087
flat angles C4'-P-C4' energy: -95.591
flat angles P-C4'-P energy: -49.261
tors. eta vs tors. theta energy: -78.955
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: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -615.246462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.246462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.246462 (E_RNA)
where:
Base-Base interactions energy: -268.667
where: short stacking energy: -207.730
Base-Backbone interact. energy: 1.686
local terms energy: -348.265566
where:
bonds (distance) C4'-P energy: -88.155
bonds (distance) P-C4' energy: -84.345
flat angles C4'-P-C4' energy: -89.506
flat angles P-C4'-P energy: -46.720
tors. eta vs tors. theta energy: -39.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -633.302888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.302888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.302888 (E_RNA)
where:
Base-Base interactions energy: -315.514
where: short stacking energy: -191.326
Base-Backbone interact. energy: 3.275
local terms energy: -321.063979
where:
bonds (distance) C4'-P energy: -82.113
bonds (distance) P-C4' energy: -84.803
flat angles C4'-P-C4' energy: -79.010
flat angles P-C4'-P energy: -47.852
tors. eta vs tors. theta energy: -27.287
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: 294
Temperature: 1.200000
Total energy: -492.609328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.609328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.609328 (E_RNA)
where:
Base-Base interactions energy: -182.924
where: short stacking energy: -155.135
Base-Backbone interact. energy: -1.305
local terms energy: -308.380101
where:
bonds (distance) C4'-P energy: -82.357
bonds (distance) P-C4' energy: -87.407
flat angles C4'-P-C4' energy: -81.205
flat angles P-C4'-P energy: -50.346
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: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -409.190998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.190998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.190998 (E_RNA)
where:
Base-Base interactions energy: -126.378
where: short stacking energy: -103.421
Base-Backbone interact. energy: 0.353
local terms energy: -283.165639
where:
bonds (distance) C4'-P energy: -85.722
bonds (distance) P-C4' energy: -84.376
flat angles C4'-P-C4' energy: -71.714
flat angles P-C4'-P energy: -60.712
tors. eta vs tors. theta energy: 19.358
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: 6
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -380.365841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.365841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.365841 (E_RNA)
where:
Base-Base interactions energy: -140.070
where: short stacking energy: -135.042
Base-Backbone interact. energy: -0.025
local terms energy: -240.270674
where:
bonds (distance) C4'-P energy: -63.543
bonds (distance) P-C4' energy: -83.455
flat angles C4'-P-C4' energy: -67.088
flat angles P-C4'-P energy: -28.738
tors. eta vs tors. theta energy: 2.554
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: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -349.947436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.947436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.947436 (E_RNA)
where:
Base-Base interactions energy: -124.846
where: short stacking energy: -101.510
Base-Backbone interact. energy: 0.243
local terms energy: -225.344379
where:
bonds (distance) C4'-P energy: -59.648
bonds (distance) P-C4' energy: -86.990
flat angles C4'-P-C4' energy: -63.053
flat angles P-C4'-P energy: -33.045
tors. eta vs tors. theta energy: 17.392
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1225.558720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.558720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.558720 (E_RNA)
where:
Base-Base interactions energy: -760.026
where: short stacking energy: -416.713
Base-Backbone interact. energy: -3.199
local terms energy: -462.333612
where:
bonds (distance) C4'-P energy: -88.426
bonds (distance) P-C4' energy: -97.437
flat angles C4'-P-C4' energy: -104.371
flat angles P-C4'-P energy: -62.407
tors. eta vs tors. theta energy: -109.692
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: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1066.327516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.327516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.327516 (E_RNA)
where:
Base-Base interactions energy: -636.091
where: short stacking energy: -389.344
Base-Backbone interact. energy: -0.065
local terms energy: -430.171134
where:
bonds (distance) C4'-P energy: -81.460
bonds (distance) P-C4' energy: -96.281
flat angles C4'-P-C4' energy: -90.689
flat angles P-C4'-P energy: -57.891
tors. eta vs tors. theta energy: -103.850
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: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -922.379970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.379970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.379970 (E_RNA)
where:
Base-Base interactions energy: -472.017
where: short stacking energy: -315.406
Base-Backbone interact. energy: -0.777
local terms energy: -449.586901
where:
bonds (distance) C4'-P energy: -95.590
bonds (distance) P-C4' energy: -95.601
flat angles C4'-P-C4' energy: -104.508
flat angles P-C4'-P energy: -63.219
tors. eta vs tors. theta energy: -90.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -865.038031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.038031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.038031 (E_RNA)
where:
Base-Base interactions energy: -461.869
where: short stacking energy: -286.000
Base-Backbone interact. energy: -0.437
local terms energy: -402.732052
where:
bonds (distance) C4'-P energy: -91.608
bonds (distance) P-C4' energy: -95.130
flat angles C4'-P-C4' energy: -95.569
flat angles P-C4'-P energy: -44.599
tors. eta vs tors. theta energy: -75.826
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: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -615.266301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.266301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.266301 (E_RNA)
where:
Base-Base interactions energy: -264.827
where: short stacking energy: -201.860
Base-Backbone interact. energy: -0.167
local terms energy: -350.272284
where:
bonds (distance) C4'-P energy: -76.217
bonds (distance) P-C4' energy: -102.821
flat angles C4'-P-C4' energy: -84.248
flat angles P-C4'-P energy: -47.890
tors. eta vs tors. theta energy: -39.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -591.991504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.991504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.991504 (E_RNA)
where:
Base-Base interactions energy: -288.339
where: short stacking energy: -189.829
Base-Backbone interact. energy: 1.461
local terms energy: -305.112761
where:
bonds (distance) C4'-P energy: -75.452
bonds (distance) P-C4' energy: -71.523
flat angles C4'-P-C4' energy: -82.266
flat angles P-C4'-P energy: -44.366
tors. eta vs tors. theta energy: -31.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -506.984187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.984187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.984187 (E_RNA)
where:
Base-Base interactions energy: -200.990
where: short stacking energy: -154.242
Base-Backbone interact. energy: 0.581
local terms energy: -306.575226
where:
bonds (distance) C4'-P energy: -83.602
bonds (distance) P-C4' energy: -80.583
flat angles C4'-P-C4' energy: -75.958
flat angles P-C4'-P energy: -54.786
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: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -381.190438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.190438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.190438 (E_RNA)
where:
Base-Base interactions energy: -129.095
where: short stacking energy: -120.157
Base-Backbone interact. energy: 0.092
local terms energy: -252.186965
where:
bonds (distance) C4'-P energy: -66.890
bonds (distance) P-C4' energy: -98.338
flat angles C4'-P-C4' energy: -61.095
flat angles P-C4'-P energy: -38.649
tors. eta vs tors. theta energy: 12.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -402.972967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.972967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.972967 (E_RNA)
where:
Base-Base interactions energy: -129.482
where: short stacking energy: -110.452
Base-Backbone interact. energy: -1.269
local terms energy: -272.221736
where:
bonds (distance) C4'-P energy: -94.532
bonds (distance) P-C4' energy: -69.708
flat angles C4'-P-C4' energy: -74.395
flat angles P-C4'-P energy: -30.978
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -349.669981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.669981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.669981 (E_RNA)
where:
Base-Base interactions energy: -129.629
where: short stacking energy: -108.448
Base-Backbone interact. energy: -0.603
local terms energy: -219.437685
where:
bonds (distance) C4'-P energy: -75.091
bonds (distance) P-C4' energy: -68.592
flat angles C4'-P-C4' energy: -57.018
flat angles P-C4'-P energy: -26.011
tors. eta vs tors. theta energy: 7.275
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1212.685296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.685296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.685296 (E_RNA)
where:
Base-Base interactions energy: -738.814
where: short stacking energy: -407.130
Base-Backbone interact. energy: -1.311
local terms energy: -472.559809
where:
bonds (distance) C4'-P energy: -93.074
bonds (distance) P-C4' energy: -88.680
flat angles C4'-P-C4' energy: -99.535
flat angles P-C4'-P energy: -69.648
tors. eta vs tors. theta energy: -121.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1084.442870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.442870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.442870 (E_RNA)
where:
Base-Base interactions energy: -613.794
where: short stacking energy: -385.044
Base-Backbone interact. energy: 2.555
local terms energy: -473.204592
where:
bonds (distance) C4'-P energy: -97.726
bonds (distance) P-C4' energy: -99.277
flat angles C4'-P-C4' energy: -101.523
flat angles P-C4'-P energy: -61.090
tors. eta vs tors. theta energy: -113.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -915.696293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.696293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.696293 (E_RNA)
where:
Base-Base interactions energy: -491.025
where: short stacking energy: -326.599
Base-Backbone interact. energy: -1.223
local terms energy: -423.448481
where:
bonds (distance) C4'-P energy: -87.963
bonds (distance) P-C4' energy: -89.793
flat angles C4'-P-C4' energy: -99.710
flat angles P-C4'-P energy: -59.339
tors. eta vs tors. theta energy: -86.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -856.074538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.074538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.074538 (E_RNA)
where:
Base-Base interactions energy: -456.098
where: short stacking energy: -313.973
Base-Backbone interact. energy: 0.309
local terms energy: -400.286240
where:
bonds (distance) C4'-P energy: -80.117
bonds (distance) P-C4' energy: -76.685
flat angles C4'-P-C4' energy: -106.247
flat angles P-C4'-P energy: -58.691
tors. eta vs tors. theta energy: -78.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -637.786201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.786201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.786201 (E_RNA)
where:
Base-Base interactions energy: -304.331
where: short stacking energy: -239.065
Base-Backbone interact. energy: 1.074
local terms energy: -334.529032
where:
bonds (distance) C4'-P energy: -79.849
bonds (distance) P-C4' energy: -77.086
flat angles C4'-P-C4' energy: -79.709
flat angles P-C4'-P energy: -47.770
tors. eta vs tors. theta energy: -50.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -605.038271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.038271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.038271 (E_RNA)
where:
Base-Base interactions energy: -269.330
where: short stacking energy: -180.271
Base-Backbone interact. energy: -1.634
local terms energy: -334.073781
where:
bonds (distance) C4'-P energy: -81.644
bonds (distance) P-C4' energy: -87.120
flat angles C4'-P-C4' energy: -77.718
flat angles P-C4'-P energy: -57.049
tors. eta vs tors. theta energy: -30.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -460.673216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.673216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.673216 (E_RNA)
where:
Base-Base interactions energy: -168.206
where: short stacking energy: -144.556
Base-Backbone interact. energy: 1.185
local terms energy: -293.652627
where:
bonds (distance) C4'-P energy: -80.865
bonds (distance) P-C4' energy: -90.199
flat angles C4'-P-C4' energy: -84.019
flat angles P-C4'-P energy: -40.464
tors. eta vs tors. theta energy: 1.894
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: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -423.482847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.482847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.482847 (E_RNA)
where:
Base-Base interactions energy: -158.917
where: short stacking energy: -143.491
Base-Backbone interact. energy: -1.350
local terms energy: -263.215824
where:
bonds (distance) C4'-P energy: -69.399
bonds (distance) P-C4' energy: -86.923
flat angles C4'-P-C4' energy: -63.581
flat angles P-C4'-P energy: -38.717
tors. eta vs tors. theta energy: -4.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -393.506583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.506583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.506583 (E_RNA)
where:
Base-Base interactions energy: -143.785
where: short stacking energy: -115.766
Base-Backbone interact. energy: 0.647
local terms energy: -250.368475
where:
bonds (distance) C4'-P energy: -73.014
bonds (distance) P-C4' energy: -87.448
flat angles C4'-P-C4' energy: -59.543
flat angles P-C4'-P energy: -45.452
tors. eta vs tors. theta energy: 15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -357.547636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.547636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.547636 (E_RNA)
where:
Base-Base interactions energy: -96.056
where: short stacking energy: -88.288
Base-Backbone interact. energy: 2.478
local terms energy: -263.968883
where:
bonds (distance) C4'-P energy: -73.476
bonds (distance) P-C4' energy: -88.899
flat angles C4'-P-C4' energy: -59.739
flat angles P-C4'-P energy: -44.668
tors. eta vs tors. theta energy: 2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1200.507883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.507883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.507883 (E_RNA)
where:
Base-Base interactions energy: -715.376
where: short stacking energy: -419.708
Base-Backbone interact. energy: 0.749
local terms energy: -485.880299
where:
bonds (distance) C4'-P energy: -95.992
bonds (distance) P-C4' energy: -86.661
flat angles C4'-P-C4' energy: -96.487
flat angles P-C4'-P energy: -78.399
tors. eta vs tors. theta energy: -128.342
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: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1074.581418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.581418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.581418 (E_RNA)
where:
Base-Base interactions energy: -635.207
where: short stacking energy: -381.930
Base-Backbone interact. energy: -1.753
local terms energy: -437.620933
where:
bonds (distance) C4'-P energy: -95.228
bonds (distance) P-C4' energy: -89.082
flat angles C4'-P-C4' energy: -97.874
flat angles P-C4'-P energy: -59.836
tors. eta vs tors. theta energy: -95.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -920.666620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.666620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.666620 (E_RNA)
where:
Base-Base interactions energy: -502.530
where: short stacking energy: -312.645
Base-Backbone interact. energy: 1.651
local terms energy: -419.787554
where:
bonds (distance) C4'-P energy: -90.854
bonds (distance) P-C4' energy: -83.895
flat angles C4'-P-C4' energy: -101.410
flat angles P-C4'-P energy: -71.279
tors. eta vs tors. theta energy: -72.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -844.950720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.950720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.950720 (E_RNA)
where:
Base-Base interactions energy: -454.978
where: short stacking energy: -285.203
Base-Backbone interact. energy: -2.088
local terms energy: -387.884349
where:
bonds (distance) C4'-P energy: -87.555
bonds (distance) P-C4' energy: -89.099
flat angles C4'-P-C4' energy: -100.827
flat angles P-C4'-P energy: -41.384
tors. eta vs tors. theta energy: -69.019
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: 297
Temperature: 1.100000
Total energy: -599.857734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.857734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.857734 (E_RNA)
where:
Base-Base interactions energy: -264.929
where: short stacking energy: -193.742
Base-Backbone interact. energy: 0.213
local terms energy: -335.141618
where:
bonds (distance) C4'-P energy: -97.189
bonds (distance) P-C4' energy: -86.208
flat angles C4'-P-C4' energy: -84.691
flat angles P-C4'-P energy: -53.176
tors. eta vs tors. theta energy: -13.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -585.729677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.729677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.729677 (E_RNA)
where:
Base-Base interactions energy: -279.833
where: short stacking energy: -187.308
Base-Backbone interact. energy: -0.672
local terms energy: -305.225025
where:
bonds (distance) C4'-P energy: -73.765
bonds (distance) P-C4' energy: -80.901
flat angles C4'-P-C4' energy: -86.022
flat angles P-C4'-P energy: -44.429
tors. eta vs tors. theta energy: -20.108
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: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -448.712302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.712302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.712302 (E_RNA)
where:
Base-Base interactions energy: -166.684
where: short stacking energy: -131.661
Base-Backbone interact. energy: 5.426
local terms energy: -287.454299
where:
bonds (distance) C4'-P energy: -78.081
bonds (distance) P-C4' energy: -87.187
flat angles C4'-P-C4' energy: -76.028
flat angles P-C4'-P energy: -44.788
tors. eta vs tors. theta energy: -1.370
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: 8, replica: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -409.521949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.521949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.521949 (E_RNA)
where:
Base-Base interactions energy: -132.655
where: short stacking energy: -125.362
Base-Backbone interact. energy: -0.206
local terms energy: -276.661676
where:
bonds (distance) C4'-P energy: -80.411
bonds (distance) P-C4' energy: -75.405
flat angles C4'-P-C4' energy: -55.673
flat angles P-C4'-P energy: -49.792
tors. eta vs tors. theta energy: -15.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -389.029452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.029452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.029452 (E_RNA)
where:
Base-Base interactions energy: -114.017
where: short stacking energy: -94.960
Base-Backbone interact. energy: -0.185
local terms energy: -274.827626
where:
bonds (distance) C4'-P energy: -71.947
bonds (distance) P-C4' energy: -90.408
flat angles C4'-P-C4' energy: -67.962
flat angles P-C4'-P energy: -48.736
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: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -336.095941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.095941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.095941 (E_RNA)
where:
Base-Base interactions energy: -95.511
where: short stacking energy: -86.780
Base-Backbone interact. energy: 2.191
local terms energy: -242.776190
where:
bonds (distance) C4'-P energy: -82.364
bonds (distance) P-C4' energy: -80.644
flat angles C4'-P-C4' energy: -58.218
flat angles P-C4'-P energy: -52.448
tors. eta vs tors. theta energy: 30.897
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1224.863293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.863293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.863293 (E_RNA)
where:
Base-Base interactions energy: -731.045
where: short stacking energy: -417.168
Base-Backbone interact. energy: -2.238
local terms energy: -491.580397
where:
bonds (distance) C4'-P energy: -93.738
bonds (distance) P-C4' energy: -97.645
flat angles C4'-P-C4' energy: -102.162
flat angles P-C4'-P energy: -74.895
tors. eta vs tors. theta energy: -123.142
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: 2, replica: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1106.036926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.036926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.036926 (E_RNA)
where:
Base-Base interactions energy: -666.923
where: short stacking energy: -388.096
Base-Backbone interact. energy: -0.383
local terms energy: -438.731289
where:
bonds (distance) C4'-P energy: -84.216
bonds (distance) P-C4' energy: -83.346
flat angles C4'-P-C4' energy: -95.239
flat angles P-C4'-P energy: -71.222
tors. eta vs tors. theta energy: -104.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -964.325470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.325470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.325470 (E_RNA)
where:
Base-Base interactions energy: -526.579
where: short stacking energy: -317.510
Base-Backbone interact. energy: -1.585
local terms energy: -436.161762
where:
bonds (distance) C4'-P energy: -90.432
bonds (distance) P-C4' energy: -94.064
flat angles C4'-P-C4' energy: -96.157
flat angles P-C4'-P energy: -67.216
tors. eta vs tors. theta energy: -88.292
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: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -859.058761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.058761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.058761 (E_RNA)
where:
Base-Base interactions energy: -457.896
where: short stacking energy: -277.467
Base-Backbone interact. energy: 0.071
local terms energy: -401.234294
where:
bonds (distance) C4'-P energy: -82.253
bonds (distance) P-C4' energy: -97.651
flat angles C4'-P-C4' energy: -100.753
flat angles P-C4'-P energy: -53.260
tors. eta vs tors. theta energy: -67.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -604.656302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.656302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.656302 (E_RNA)
where:
Base-Base interactions energy: -258.495
where: short stacking energy: -212.239
Base-Backbone interact. energy: -1.081
local terms energy: -345.079614
where:
bonds (distance) C4'-P energy: -74.207
bonds (distance) P-C4' energy: -86.128
flat angles C4'-P-C4' energy: -87.482
flat angles P-C4'-P energy: -52.192
tors. eta vs tors. theta energy: -45.071
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: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -591.020223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.020223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.020223 (E_RNA)
where:
Base-Base interactions energy: -290.888
where: short stacking energy: -192.091
Base-Backbone interact. energy: -0.296
local terms energy: -299.836524
where:
bonds (distance) C4'-P energy: -69.978
bonds (distance) P-C4' energy: -84.429
flat angles C4'-P-C4' energy: -80.537
flat angles P-C4'-P energy: -52.030
tors. eta vs tors. theta energy: -12.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -468.303412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.303412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.303412 (E_RNA)
where:
Base-Base interactions energy: -167.691
where: short stacking energy: -143.267
Base-Backbone interact. energy: 0.967
local terms energy: -301.579291
where:
bonds (distance) C4'-P energy: -81.460
bonds (distance) P-C4' energy: -89.616
flat angles C4'-P-C4' energy: -67.740
flat angles P-C4'-P energy: -49.192
tors. eta vs tors. theta energy: -13.572
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: 8, replica: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -418.115101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.115101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.115101 (E_RNA)
where:
Base-Base interactions energy: -137.022
where: short stacking energy: -120.513
Base-Backbone interact. energy: -0.648
local terms energy: -280.445155
where:
bonds (distance) C4'-P energy: -66.991
bonds (distance) P-C4' energy: -77.077
flat angles C4'-P-C4' energy: -83.260
flat angles P-C4'-P energy: -46.382
tors. eta vs tors. theta energy: -6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -373.309281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.309281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.309281 (E_RNA)
where:
Base-Base interactions energy: -113.736
where: short stacking energy: -97.163
Base-Backbone interact. energy: 3.566
local terms energy: -263.138714
where:
bonds (distance) C4'-P energy: -80.610
bonds (distance) P-C4' energy: -83.949
flat angles C4'-P-C4' energy: -64.800
flat angles P-C4'-P energy: -53.960
tors. eta vs tors. theta energy: 20.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -349.916402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.916402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.916402 (E_RNA)
where:
Base-Base interactions energy: -110.330
where: short stacking energy: -107.197
Base-Backbone interact. energy: 5.937
local terms energy: -245.523206
where:
bonds (distance) C4'-P energy: -56.672
bonds (distance) P-C4' energy: -77.728
flat angles C4'-P-C4' energy: -76.329
flat angles P-C4'-P energy: -50.769
tors. eta vs tors. theta energy: 15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1246.072206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.072206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.072206 (E_RNA)
where:
Base-Base interactions energy: -754.977
where: short stacking energy: -427.309
Base-Backbone interact. energy: -1.200
local terms energy: -489.895471
where:
bonds (distance) C4'-P energy: -89.101
bonds (distance) P-C4' energy: -101.493
flat angles C4'-P-C4' energy: -101.557
flat angles P-C4'-P energy: -79.019
tors. eta vs tors. theta energy: -118.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1063.226945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.226945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.226945 (E_RNA)
where:
Base-Base interactions energy: -610.943
where: short stacking energy: -380.243
Base-Backbone interact. energy: -1.406
local terms energy: -450.877710
where:
bonds (distance) C4'-P energy: -98.635
bonds (distance) P-C4' energy: -96.193
flat angles C4'-P-C4' energy: -91.086
flat angles P-C4'-P energy: -52.784
tors. eta vs tors. theta energy: -112.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -958.271688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.271688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.271688 (E_RNA)
where:
Base-Base interactions energy: -537.417
where: short stacking energy: -340.629
Base-Backbone interact. energy: 1.049
local terms energy: -421.903667
where:
bonds (distance) C4'-P energy: -88.977
bonds (distance) P-C4' energy: -95.155
flat angles C4'-P-C4' energy: -87.080
flat angles P-C4'-P energy: -65.301
tors. eta vs tors. theta energy: -85.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -829.695318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.695318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.695318 (E_RNA)
where:
Base-Base interactions energy: -443.474
where: short stacking energy: -283.569
Base-Backbone interact. energy: -1.608
local terms energy: -384.613654
where:
bonds (distance) C4'-P energy: -87.460
bonds (distance) P-C4' energy: -84.277
flat angles C4'-P-C4' energy: -90.071
flat angles P-C4'-P energy: -57.815
tors. eta vs tors. theta energy: -64.990
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: 299
Temperature: 1.100000
Total energy: -653.396950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.396950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.396950 (E_RNA)
where:
Base-Base interactions energy: -296.618
where: short stacking energy: -231.940
Base-Backbone interact. energy: -0.641
local terms energy: -356.138031
where:
bonds (distance) C4'-P energy: -82.629
bonds (distance) P-C4' energy: -93.157
flat angles C4'-P-C4' energy: -84.429
flat angles P-C4'-P energy: -46.741
tors. eta vs tors. theta energy: -49.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -569.388992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.388992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.388992 (E_RNA)
where:
Base-Base interactions energy: -216.477
where: short stacking energy: -159.396
Base-Backbone interact. energy: -0.614
local terms energy: -352.298426
where:
bonds (distance) C4'-P energy: -93.327
bonds (distance) P-C4' energy: -98.465
flat angles C4'-P-C4' energy: -76.364
flat angles P-C4'-P energy: -58.206
tors. eta vs tors. theta energy: -25.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -460.224707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.224707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.224707 (E_RNA)
where:
Base-Base interactions energy: -164.083
where: short stacking energy: -157.695
Base-Backbone interact. energy: -1.089
local terms energy: -295.052507
where:
bonds (distance) C4'-P energy: -73.033
bonds (distance) P-C4' energy: -90.873
flat angles C4'-P-C4' energy: -75.180
flat angles P-C4'-P energy: -43.025
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: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -402.548994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.548994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.548994 (E_RNA)
where:
Base-Base interactions energy: -133.072
where: short stacking energy: -100.670
Base-Backbone interact. energy: 2.413
local terms energy: -271.889718
where:
bonds (distance) C4'-P energy: -70.429
bonds (distance) P-C4' energy: -94.405
flat angles C4'-P-C4' energy: -74.412
flat angles P-C4'-P energy: -53.066
tors. eta vs tors. theta energy: 20.422
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: 9, replica: 1
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -401.031786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.031786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.031786 (E_RNA)
where:
Base-Base interactions energy: -158.238
where: short stacking energy: -119.976
Base-Backbone interact. energy: -0.101
local terms energy: -242.692782
where:
bonds (distance) C4'-P energy: -86.274
bonds (distance) P-C4' energy: -82.934
flat angles C4'-P-C4' energy: -62.974
flat angles P-C4'-P energy: -24.596
tors. eta vs tors. theta energy: 14.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -363.220470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.220470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.220470 (E_RNA)
where:
Base-Base interactions energy: -136.999
where: short stacking energy: -113.699
Base-Backbone interact. energy: -0.248
local terms energy: -225.973701
where:
bonds (distance) C4'-P energy: -68.120
bonds (distance) P-C4' energy: -72.989
flat angles C4'-P-C4' energy: -69.163
flat angles P-C4'-P energy: -43.964
tors. eta vs tors. theta energy: 28.263
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1218.470919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.470919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.470919 (E_RNA)
where:
Base-Base interactions energy: -754.648
where: short stacking energy: -428.021
Base-Backbone interact. energy: -1.126
local terms energy: -462.697203
where:
bonds (distance) C4'-P energy: -92.981
bonds (distance) P-C4' energy: -87.444
flat angles C4'-P-C4' energy: -98.384
flat angles P-C4'-P energy: -64.208
tors. eta vs tors. theta energy: -119.681
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: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1049.420759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.420759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.420759 (E_RNA)
where:
Base-Base interactions energy: -619.616
where: short stacking energy: -383.777
Base-Backbone interact. energy: -0.546
local terms energy: -429.259182
where:
bonds (distance) C4'-P energy: -85.227
bonds (distance) P-C4' energy: -83.605
flat angles C4'-P-C4' energy: -85.987
flat angles P-C4'-P energy: -72.359
tors. eta vs tors. theta energy: -102.082
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: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -918.678395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.678395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.678395 (E_RNA)
where:
Base-Base interactions energy: -509.629
where: short stacking energy: -306.592
Base-Backbone interact. energy: -0.787
local terms energy: -408.263206
where:
bonds (distance) C4'-P energy: -78.916
bonds (distance) P-C4' energy: -98.027
flat angles C4'-P-C4' energy: -87.732
flat angles P-C4'-P energy: -62.285
tors. eta vs tors. theta energy: -81.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -780.905038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.905038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.905038 (E_RNA)
where:
Base-Base interactions energy: -398.937
where: short stacking energy: -268.718
Base-Backbone interact. energy: -0.663
local terms energy: -381.304512
where:
bonds (distance) C4'-P energy: -88.226
bonds (distance) P-C4' energy: -92.169
flat angles C4'-P-C4' energy: -83.297
flat angles P-C4'-P energy: -56.969
tors. eta vs tors. theta energy: -60.644
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: 300
Temperature: 1.100000
Total energy: -633.684520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.684520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.684520 (E_RNA)
where:
Base-Base interactions energy: -283.434
where: short stacking energy: -193.093
Base-Backbone interact. energy: -1.665
local terms energy: -348.585483
where:
bonds (distance) C4'-P energy: -77.714
bonds (distance) P-C4' energy: -86.246
flat angles C4'-P-C4' energy: -82.668
flat angles P-C4'-P energy: -73.247
tors. eta vs tors. theta energy: -28.710
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: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -530.713263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.713263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.713263 (E_RNA)
where:
Base-Base interactions energy: -250.089
where: short stacking energy: -177.889
Base-Backbone interact. energy: -2.792
local terms energy: -277.832870
where:
bonds (distance) C4'-P energy: -73.869
bonds (distance) P-C4' energy: -79.859
flat angles C4'-P-C4' energy: -72.955
flat angles P-C4'-P energy: -41.273
tors. eta vs tors. theta energy: -9.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -471.750414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.750414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.750414 (E_RNA)
where:
Base-Base interactions energy: -173.090
where: short stacking energy: -156.883
Base-Backbone interact. energy: -0.244
local terms energy: -298.415899
where:
bonds (distance) C4'-P energy: -63.376
bonds (distance) P-C4' energy: -94.926
flat angles C4'-P-C4' energy: -70.443
flat angles P-C4'-P energy: -46.776
tors. eta vs tors. theta energy: -22.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -395.255621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.255621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.255621 (E_RNA)
where:
Base-Base interactions energy: -127.345
where: short stacking energy: -107.709
Base-Backbone interact. energy: 0.286
local terms energy: -268.196585
where:
bonds (distance) C4'-P energy: -75.749
bonds (distance) P-C4' energy: -91.938
flat angles C4'-P-C4' energy: -69.988
flat angles P-C4'-P energy: -42.593
tors. eta vs tors. theta energy: 12.071
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: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -383.068549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.068549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.068549 (E_RNA)
where:
Base-Base interactions energy: -129.510
where: short stacking energy: -123.671
Base-Backbone interact. energy: -1.699
local terms energy: -251.859706
where:
bonds (distance) C4'-P energy: -83.416
bonds (distance) P-C4' energy: -73.463
flat angles C4'-P-C4' energy: -74.666
flat angles P-C4'-P energy: -34.360
tors. eta vs tors. theta energy: 14.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -351.646994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.646994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.646994 (E_RNA)
where:
Base-Base interactions energy: -98.472
where: short stacking energy: -94.961
Base-Backbone interact. energy: 2.606
local terms energy: -255.781115
where:
bonds (distance) C4'-P energy: -81.614
bonds (distance) P-C4' energy: -79.305
flat angles C4'-P-C4' energy: -63.745
flat angles P-C4'-P energy: -40.319
tors. eta vs tors. theta energy: 9.202
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1226.035256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.035256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.035256 (E_RNA)
where:
Base-Base interactions energy: -752.160
where: short stacking energy: -420.538
Base-Backbone interact. energy: -2.336
local terms energy: -471.538891
where:
bonds (distance) C4'-P energy: -99.918
bonds (distance) P-C4' energy: -89.588
flat angles C4'-P-C4' energy: -101.338
flat angles P-C4'-P energy: -57.581
tors. eta vs tors. theta energy: -123.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1060.928272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.928272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.928272 (E_RNA)
where:
Base-Base interactions energy: -600.759
where: short stacking energy: -379.766
Base-Backbone interact. energy: -0.405
local terms energy: -459.764345
where:
bonds (distance) C4'-P energy: -81.735
bonds (distance) P-C4' energy: -94.249
flat angles C4'-P-C4' energy: -99.780
flat angles P-C4'-P energy: -64.514
tors. eta vs tors. theta energy: -119.486
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: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -978.615482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.615482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.615482 (E_RNA)
where:
Base-Base interactions energy: -538.024
where: short stacking energy: -342.831
Base-Backbone interact. energy: 1.155
local terms energy: -441.746673
where:
bonds (distance) C4'-P energy: -81.968
bonds (distance) P-C4' energy: -100.532
flat angles C4'-P-C4' energy: -104.276
flat angles P-C4'-P energy: -62.684
tors. eta vs tors. theta energy: -92.287
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: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -804.514992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.514992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.514992 (E_RNA)
where:
Base-Base interactions energy: -415.574
where: short stacking energy: -286.621
Base-Backbone interact. energy: 5.518
local terms energy: -394.458360
where:
bonds (distance) C4'-P energy: -96.949
bonds (distance) P-C4' energy: -92.191
flat angles C4'-P-C4' energy: -78.647
flat angles P-C4'-P energy: -51.962
tors. eta vs tors. theta energy: -74.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -643.904064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.904064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.904064 (E_RNA)
where:
Base-Base interactions energy: -315.405
where: short stacking energy: -209.981
Base-Backbone interact. energy: 0.746
local terms energy: -329.244197
where:
bonds (distance) C4'-P energy: -88.340
bonds (distance) P-C4' energy: -88.167
flat angles C4'-P-C4' energy: -74.404
flat angles P-C4'-P energy: -45.740
tors. eta vs tors. theta energy: -32.592
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: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -590.600720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.600720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.600720 (E_RNA)
where:
Base-Base interactions energy: -259.014
where: short stacking energy: -200.834
Base-Backbone interact. energy: 2.006
local terms energy: -333.592262
where:
bonds (distance) C4'-P energy: -77.613
bonds (distance) P-C4' energy: -80.362
flat angles C4'-P-C4' energy: -79.998
flat angles P-C4'-P energy: -51.151
tors. eta vs tors. theta energy: -44.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -459.344581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.344581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.344581 (E_RNA)
where:
Base-Base interactions energy: -186.272
where: short stacking energy: -148.035
Base-Backbone interact. energy: -1.285
local terms energy: -271.787443
where:
bonds (distance) C4'-P energy: -76.362
bonds (distance) P-C4' energy: -76.022
flat angles C4'-P-C4' energy: -60.053
flat angles P-C4'-P energy: -46.396
tors. eta vs tors. theta energy: -12.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -397.606474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.606474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.606474 (E_RNA)
where:
Base-Base interactions energy: -153.543
where: short stacking energy: -124.628
Base-Backbone interact. energy: 1.184
local terms energy: -245.247671
where:
bonds (distance) C4'-P energy: -66.224
bonds (distance) P-C4' energy: -79.505
flat angles C4'-P-C4' energy: -69.690
flat angles P-C4'-P energy: -35.413
tors. eta vs tors. theta energy: 5.585
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: 301
Temperature: 1.300000
Total energy: -356.125194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.125194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.125194 (E_RNA)
where:
Base-Base interactions energy: -104.271
where: short stacking energy: -85.022
Base-Backbone interact. energy: -1.507
local terms energy: -250.347513
where:
bonds (distance) C4'-P energy: -84.090
bonds (distance) P-C4' energy: -83.507
flat angles C4'-P-C4' energy: -73.358
flat angles P-C4'-P energy: -30.121
tors. eta vs tors. theta energy: 20.729
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: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -335.913984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.913984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.913984 (E_RNA)
where:
Base-Base interactions energy: -110.331
where: short stacking energy: -98.005
Base-Backbone interact. energy: -4.368
local terms energy: -221.215390
where:
bonds (distance) C4'-P energy: -69.523
bonds (distance) P-C4' energy: -74.341
flat angles C4'-P-C4' energy: -57.733
flat angles P-C4'-P energy: -43.297
tors. eta vs tors. theta energy: 23.678
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1218.339899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.339899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.339899 (E_RNA)
where:
Base-Base interactions energy: -737.904
where: short stacking energy: -426.198
Base-Backbone interact. energy: -1.461
local terms energy: -478.974956
where:
bonds (distance) C4'-P energy: -89.801
bonds (distance) P-C4' energy: -97.930
flat angles C4'-P-C4' energy: -95.850
flat angles P-C4'-P energy: -71.177
tors. eta vs tors. theta energy: -124.217
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: 2, replica: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1055.096775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.096775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.096775 (E_RNA)
where:
Base-Base interactions energy: -592.331
where: short stacking energy: -359.565
Base-Backbone interact. energy: 0.169
local terms energy: -462.935017
where:
bonds (distance) C4'-P energy: -91.845
bonds (distance) P-C4' energy: -94.310
flat angles C4'-P-C4' energy: -109.635
flat angles P-C4'-P energy: -60.278
tors. eta vs tors. theta energy: -106.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -979.880350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.880350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.880350 (E_RNA)
where:
Base-Base interactions energy: -526.412
where: short stacking energy: -357.203
Base-Backbone interact. energy: -0.362
local terms energy: -453.106477
where:
bonds (distance) C4'-P energy: -81.906
bonds (distance) P-C4' energy: -89.539
flat angles C4'-P-C4' energy: -101.605
flat angles P-C4'-P energy: -71.841
tors. eta vs tors. theta energy: -108.216
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: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -797.463637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.463637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.463637 (E_RNA)
where:
Base-Base interactions energy: -429.051
where: short stacking energy: -275.141
Base-Backbone interact. energy: -0.788
local terms energy: -367.624563
where:
bonds (distance) C4'-P energy: -77.284
bonds (distance) P-C4' energy: -96.444
flat angles C4'-P-C4' energy: -81.298
flat angles P-C4'-P energy: -59.251
tors. eta vs tors. theta energy: -53.347
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: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -668.752850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.752850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.752850 (E_RNA)
where:
Base-Base interactions energy: -336.538
where: short stacking energy: -238.009
Base-Backbone interact. energy: 0.061
local terms energy: -332.275474
where:
bonds (distance) C4'-P energy: -65.777
bonds (distance) P-C4' energy: -76.053
flat angles C4'-P-C4' energy: -88.297
flat angles P-C4'-P energy: -59.180
tors. eta vs tors. theta energy: -42.968
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: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -603.809180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.809180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.809180 (E_RNA)
where:
Base-Base interactions energy: -263.125
where: short stacking energy: -174.757
Base-Backbone interact. energy: 1.615
local terms energy: -342.298617
where:
bonds (distance) C4'-P energy: -94.786
bonds (distance) P-C4' energy: -96.185
flat angles C4'-P-C4' energy: -74.940
flat angles P-C4'-P energy: -54.119
tors. eta vs tors. theta energy: -22.268
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: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -449.287742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.287742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.287742 (E_RNA)
where:
Base-Base interactions energy: -168.291
where: short stacking energy: -152.587
Base-Backbone interact. energy: 6.758
local terms energy: -287.755003
where:
bonds (distance) C4'-P energy: -78.576
bonds (distance) P-C4' energy: -95.136
flat angles C4'-P-C4' energy: -60.236
flat angles P-C4'-P energy: -41.936
tors. eta vs tors. theta energy: -11.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -406.979071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.979071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.979071 (E_RNA)
where:
Base-Base interactions energy: -137.368
where: short stacking energy: -110.610
Base-Backbone interact. energy: 2.812
local terms energy: -272.423493
where:
bonds (distance) C4'-P energy: -74.998
bonds (distance) P-C4' energy: -76.020
flat angles C4'-P-C4' energy: -75.586
flat angles P-C4'-P energy: -50.324
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: 9, replica: 1
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -376.208757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.208757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.208757 (E_RNA)
where:
Base-Base interactions energy: -144.678
where: short stacking energy: -117.816
Base-Backbone interact. energy: 0.944
local terms energy: -232.474287
where:
bonds (distance) C4'-P energy: -72.949
bonds (distance) P-C4' energy: -77.773
flat angles C4'-P-C4' energy: -66.079
flat angles P-C4'-P energy: -30.163
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: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -341.421609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.421609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.421609 (E_RNA)
where:
Base-Base interactions energy: -110.773
where: short stacking energy: -100.832
Base-Backbone interact. energy: 1.074
local terms energy: -231.722929
where:
bonds (distance) C4'-P energy: -77.097
bonds (distance) P-C4' energy: -77.116
flat angles C4'-P-C4' energy: -75.190
flat angles P-C4'-P energy: -23.377
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1204.500283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.500283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.500283 (E_RNA)
where:
Base-Base interactions energy: -731.177
where: short stacking energy: -394.473
Base-Backbone interact. energy: -1.472
local terms energy: -471.850889
where:
bonds (distance) C4'-P energy: -86.737
bonds (distance) P-C4' energy: -98.305
flat angles C4'-P-C4' energy: -102.334
flat angles P-C4'-P energy: -65.966
tors. eta vs tors. theta energy: -118.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1102.277909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.277909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.277909 (E_RNA)
where:
Base-Base interactions energy: -655.105
where: short stacking energy: -392.427
Base-Backbone interact. energy: -0.818
local terms energy: -446.354329
where:
bonds (distance) C4'-P energy: -75.318
bonds (distance) P-C4' energy: -102.027
flat angles C4'-P-C4' energy: -97.648
flat angles P-C4'-P energy: -55.354
tors. eta vs tors. theta energy: -116.007
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: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -926.286425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.286425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.286425 (E_RNA)
where:
Base-Base interactions energy: -509.216
where: short stacking energy: -348.189
Base-Backbone interact. energy: -1.871
local terms energy: -415.199480
where:
bonds (distance) C4'-P energy: -78.350
bonds (distance) P-C4' energy: -85.810
flat angles C4'-P-C4' energy: -91.334
flat angles P-C4'-P energy: -66.460
tors. eta vs tors. theta energy: -93.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -790.661116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.661116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.661116 (E_RNA)
where:
Base-Base interactions energy: -412.766
where: short stacking energy: -279.785
Base-Backbone interact. energy: 1.171
local terms energy: -379.065804
where:
bonds (distance) C4'-P energy: -94.777
bonds (distance) P-C4' energy: -83.551
flat angles C4'-P-C4' energy: -96.194
flat angles P-C4'-P energy: -49.085
tors. eta vs tors. theta energy: -55.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -737.283966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.283966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.283966 (E_RNA)
where:
Base-Base interactions energy: -366.722
where: short stacking energy: -276.038
Base-Backbone interact. energy: -0.262
local terms energy: -370.300509
where:
bonds (distance) C4'-P energy: -70.765
bonds (distance) P-C4' energy: -87.063
flat angles C4'-P-C4' energy: -88.755
flat angles P-C4'-P energy: -62.172
tors. eta vs tors. theta energy: -61.545
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: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -618.439704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.439704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.439704 (E_RNA)
where:
Base-Base interactions energy: -286.628
where: short stacking energy: -202.512
Base-Backbone interact. energy: 0.528
local terms energy: -332.340202
where:
bonds (distance) C4'-P energy: -70.430
bonds (distance) P-C4' energy: -78.141
flat angles C4'-P-C4' energy: -87.706
flat angles P-C4'-P energy: -60.138
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: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -487.665694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.665694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.665694 (E_RNA)
where:
Base-Base interactions energy: -183.572
where: short stacking energy: -158.313
Base-Backbone interact. energy: -0.571
local terms energy: -303.523078
where:
bonds (distance) C4'-P energy: -83.961
bonds (distance) P-C4' energy: -88.951
flat angles C4'-P-C4' energy: -80.870
flat angles P-C4'-P energy: -43.654
tors. eta vs tors. theta energy: -6.087
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: 303
Temperature: 1.250000
Total energy: -438.705484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.705484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.705484 (E_RNA)
where:
Base-Base interactions energy: -155.121
where: short stacking energy: -111.657
Base-Backbone interact. energy: 2.185
local terms energy: -285.770013
where:
bonds (distance) C4'-P energy: -82.839
bonds (distance) P-C4' energy: -100.669
flat angles C4'-P-C4' energy: -73.199
flat angles P-C4'-P energy: -38.134
tors. eta vs tors. theta energy: 9.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -391.457199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.457199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.457199 (E_RNA)
where:
Base-Base interactions energy: -118.097
where: short stacking energy: -96.125
Base-Backbone interact. energy: 0.088
local terms energy: -273.448022
where:
bonds (distance) C4'-P energy: -78.562
bonds (distance) P-C4' energy: -88.338
flat angles C4'-P-C4' energy: -76.923
flat angles P-C4'-P energy: -59.440
tors. eta vs tors. theta energy: 29.815
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: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -381.802275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.802275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.802275 (E_RNA)
where:
Base-Base interactions energy: -113.678
where: short stacking energy: -101.402
Base-Backbone interact. energy: -0.688
local terms energy: -267.436094
where:
bonds (distance) C4'-P energy: -70.930
bonds (distance) P-C4' energy: -78.178
flat angles C4'-P-C4' energy: -65.862
flat angles P-C4'-P energy: -47.557
tors. eta vs tors. theta energy: -4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1269.427599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.427599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.427599 (E_RNA)
where:
Base-Base interactions energy: -778.506
where: short stacking energy: -422.022
Base-Backbone interact. energy: -1.296
local terms energy: -489.625633
where:
bonds (distance) C4'-P energy: -91.614
bonds (distance) P-C4' energy: -99.828
flat angles C4'-P-C4' energy: -106.621
flat angles P-C4'-P energy: -72.654
tors. eta vs tors. theta energy: -118.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1083.231192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.231192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.231192 (E_RNA)
where:
Base-Base interactions energy: -632.802
where: short stacking energy: -398.212
Base-Backbone interact. energy: -0.854
local terms energy: -449.575912
where:
bonds (distance) C4'-P energy: -89.716
bonds (distance) P-C4' energy: -89.223
flat angles C4'-P-C4' energy: -96.625
flat angles P-C4'-P energy: -62.079
tors. eta vs tors. theta energy: -111.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -898.218861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.218861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.218861 (E_RNA)
where:
Base-Base interactions energy: -479.409
where: short stacking energy: -295.983
Base-Backbone interact. energy: 1.522
local terms energy: -420.331860
where:
bonds (distance) C4'-P energy: -79.689
bonds (distance) P-C4' energy: -97.218
flat angles C4'-P-C4' energy: -102.583
flat angles P-C4'-P energy: -65.122
tors. eta vs tors. theta energy: -75.720
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: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -804.210454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.210454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.210454 (E_RNA)
where:
Base-Base interactions energy: -405.957
where: short stacking energy: -266.876
Base-Backbone interact. energy: -1.963
local terms energy: -396.290103
where:
bonds (distance) C4'-P energy: -95.939
bonds (distance) P-C4' energy: -86.416
flat angles C4'-P-C4' energy: -89.096
flat angles P-C4'-P energy: -63.130
tors. eta vs tors. theta energy: -61.708
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: 304
Temperature: 1.100000
Total energy: -667.629910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.629910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.629910 (E_RNA)
where:
Base-Base interactions energy: -311.347
where: short stacking energy: -228.098
Base-Backbone interact. energy: -2.830
local terms energy: -353.452608
where:
bonds (distance) C4'-P energy: -75.553
bonds (distance) P-C4' energy: -83.177
flat angles C4'-P-C4' energy: -82.253
flat angles P-C4'-P energy: -65.093
tors. eta vs tors. theta energy: -47.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -612.532286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.532286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.532286 (E_RNA)
where:
Base-Base interactions energy: -285.582
where: short stacking energy: -201.733
Base-Backbone interact. energy: 1.884
local terms energy: -328.833702
where:
bonds (distance) C4'-P energy: -77.975
bonds (distance) P-C4' energy: -97.634
flat angles C4'-P-C4' energy: -66.985
flat angles P-C4'-P energy: -54.416
tors. eta vs tors. theta energy: -31.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -453.655638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.655638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.655638 (E_RNA)
where:
Base-Base interactions energy: -169.543
where: short stacking energy: -168.414
Base-Backbone interact. energy: -2.524
local terms energy: -281.588809
where:
bonds (distance) C4'-P energy: -75.144
bonds (distance) P-C4' energy: -84.447
flat angles C4'-P-C4' energy: -67.983
flat angles P-C4'-P energy: -38.906
tors. eta vs tors. theta energy: -15.110
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: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -440.282556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.282556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.282556 (E_RNA)
where:
Base-Base interactions energy: -141.829
where: short stacking energy: -134.511
Base-Backbone interact. energy: 1.060
local terms energy: -299.514293
where:
bonds (distance) C4'-P energy: -88.126
bonds (distance) P-C4' energy: -79.169
flat angles C4'-P-C4' energy: -69.861
flat angles P-C4'-P energy: -40.643
tors. eta vs tors. theta energy: -21.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -384.130218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.130218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.130218 (E_RNA)
where:
Base-Base interactions energy: -123.187
where: short stacking energy: -116.309
Base-Backbone interact. energy: 0.020
local terms energy: -260.962777
where:
bonds (distance) C4'-P energy: -84.554
bonds (distance) P-C4' energy: -89.655
flat angles C4'-P-C4' energy: -62.087
flat angles P-C4'-P energy: -37.189
tors. eta vs tors. theta energy: 12.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -347.260628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.260628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.260628 (E_RNA)
where:
Base-Base interactions energy: -110.821
where: short stacking energy: -102.774
Base-Backbone interact. energy: 0.067
local terms energy: -236.506494
where:
bonds (distance) C4'-P energy: -68.110
bonds (distance) P-C4' energy: -74.415
flat angles C4'-P-C4' energy: -64.516
flat angles P-C4'-P energy: -29.898
tors. eta vs tors. theta energy: 0.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1293.260251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.260251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.260251 (E_RNA)
where:
Base-Base interactions energy: -808.727
where: short stacking energy: -441.050
Base-Backbone interact. energy: -1.839
local terms energy: -482.693731
where:
bonds (distance) C4'-P energy: -89.842
bonds (distance) P-C4' energy: -88.575
flat angles C4'-P-C4' energy: -106.168
flat angles P-C4'-P energy: -70.613
tors. eta vs tors. theta energy: -127.495
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: 2, replica: 8
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1095.049631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.049631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.049631 (E_RNA)
where:
Base-Base interactions energy: -634.381
where: short stacking energy: -379.404
Base-Backbone interact. energy: -1.085
local terms energy: -459.583341
where:
bonds (distance) C4'-P energy: -87.041
bonds (distance) P-C4' energy: -93.776
flat angles C4'-P-C4' energy: -106.491
flat angles P-C4'-P energy: -64.157
tors. eta vs tors. theta energy: -108.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -938.070201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.070201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.070201 (E_RNA)
where:
Base-Base interactions energy: -515.135
where: short stacking energy: -324.515
Base-Backbone interact. energy: 0.017
local terms energy: -422.952823
where:
bonds (distance) C4'-P energy: -93.744
bonds (distance) P-C4' energy: -99.244
flat angles C4'-P-C4' energy: -72.241
flat angles P-C4'-P energy: -70.744
tors. eta vs tors. theta energy: -86.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -775.427540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.427540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.427540 (E_RNA)
where:
Base-Base interactions energy: -402.946
where: short stacking energy: -263.848
Base-Backbone interact. energy: 1.218
local terms energy: -373.700143
where:
bonds (distance) C4'-P energy: -85.658
bonds (distance) P-C4' energy: -87.365
flat angles C4'-P-C4' energy: -90.806
flat angles P-C4'-P energy: -47.110
tors. eta vs tors. theta energy: -62.763
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: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -669.417889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.417889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.417889 (E_RNA)
where:
Base-Base interactions energy: -335.427
where: short stacking energy: -219.344
Base-Backbone interact. energy: -1.379
local terms energy: -332.611861
where:
bonds (distance) C4'-P energy: -68.921
bonds (distance) P-C4' energy: -83.946
flat angles C4'-P-C4' energy: -82.896
flat angles P-C4'-P energy: -56.947
tors. eta vs tors. theta energy: -39.902
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: 6, replica: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -661.606868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.606868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.606868 (E_RNA)
where:
Base-Base interactions energy: -306.435
where: short stacking energy: -240.003
Base-Backbone interact. energy: -0.764
local terms energy: -354.408073
where:
bonds (distance) C4'-P energy: -77.538
bonds (distance) P-C4' energy: -78.253
flat angles C4'-P-C4' energy: -87.020
flat angles P-C4'-P energy: -55.881
tors. eta vs tors. theta energy: -55.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -454.536963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.536963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.536963 (E_RNA)
where:
Base-Base interactions energy: -170.853
where: short stacking energy: -146.788
Base-Backbone interact. energy: 0.782
local terms energy: -284.465684
where:
bonds (distance) C4'-P energy: -73.349
bonds (distance) P-C4' energy: -86.134
flat angles C4'-P-C4' energy: -66.939
flat angles P-C4'-P energy: -45.714
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: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -420.572691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.572691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.572691 (E_RNA)
where:
Base-Base interactions energy: -134.113
where: short stacking energy: -127.865
Base-Backbone interact. energy: 2.320
local terms energy: -288.780048
where:
bonds (distance) C4'-P energy: -80.059
bonds (distance) P-C4' energy: -91.242
flat angles C4'-P-C4' energy: -72.352
flat angles P-C4'-P energy: -42.355
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -382.481187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.481187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.481187 (E_RNA)
where:
Base-Base interactions energy: -102.128
where: short stacking energy: -91.921
Base-Backbone interact. energy: 1.081
local terms energy: -281.433708
where:
bonds (distance) C4'-P energy: -67.807
bonds (distance) P-C4' energy: -89.858
flat angles C4'-P-C4' energy: -82.189
flat angles P-C4'-P energy: -49.409
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: 10, replica: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -356.402473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.402473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.402473 (E_RNA)
where:
Base-Base interactions energy: -137.874
where: short stacking energy: -128.147
Base-Backbone interact. energy: 0.637
local terms energy: -219.165250
where:
bonds (distance) C4'-P energy: -63.764
bonds (distance) P-C4' energy: -80.755
flat angles C4'-P-C4' energy: -66.693
flat angles P-C4'-P energy: -28.431
tors. eta vs tors. theta energy: 20.478
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1284.962986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.962986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.962986 (E_RNA)
where:
Base-Base interactions energy: -793.415
where: short stacking energy: -453.388
Base-Backbone interact. energy: -2.224
local terms energy: -489.323551
where:
bonds (distance) C4'-P energy: -88.843
bonds (distance) P-C4' energy: -93.407
flat angles C4'-P-C4' energy: -106.635
flat angles P-C4'-P energy: -73.233
tors. eta vs tors. theta energy: -127.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1083.011528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.011528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.011528 (E_RNA)
where:
Base-Base interactions energy: -627.134
where: short stacking energy: -384.794
Base-Backbone interact. energy: -0.998
local terms energy: -454.879398
where:
bonds (distance) C4'-P energy: -85.794
bonds (distance) P-C4' energy: -92.158
flat angles C4'-P-C4' energy: -103.052
flat angles P-C4'-P energy: -63.329
tors. eta vs tors. theta energy: -110.546
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: 3, replica: 9
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -944.948463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.948463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.948463 (E_RNA)
where:
Base-Base interactions energy: -509.373
where: short stacking energy: -341.588
Base-Backbone interact. energy: 0.643
local terms energy: -436.218691
where:
bonds (distance) C4'-P energy: -96.955
bonds (distance) P-C4' energy: -97.140
flat angles C4'-P-C4' energy: -81.490
flat angles P-C4'-P energy: -68.959
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: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -785.089624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.089624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.089624 (E_RNA)
where:
Base-Base interactions energy: -420.605
where: short stacking energy: -253.783
Base-Backbone interact. energy: -4.055
local terms energy: -360.429647
where:
bonds (distance) C4'-P energy: -72.176
bonds (distance) P-C4' energy: -81.314
flat angles C4'-P-C4' energy: -97.730
flat angles P-C4'-P energy: -51.722
tors. eta vs tors. theta energy: -57.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -721.946758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.946758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.946758 (E_RNA)
where:
Base-Base interactions energy: -348.267
where: short stacking energy: -222.887
Base-Backbone interact. energy: 0.224
local terms energy: -373.903841
where:
bonds (distance) C4'-P energy: -78.135
bonds (distance) P-C4' energy: -102.730
flat angles C4'-P-C4' energy: -88.033
flat angles P-C4'-P energy: -57.748
tors. eta vs tors. theta energy: -47.258
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: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -563.942546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.942546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.942546 (E_RNA)
where:
Base-Base interactions energy: -233.904
where: short stacking energy: -166.296
Base-Backbone interact. energy: -1.133
local terms energy: -328.905807
where:
bonds (distance) C4'-P energy: -75.618
bonds (distance) P-C4' energy: -88.976
flat angles C4'-P-C4' energy: -82.127
flat angles P-C4'-P energy: -60.108
tors. eta vs tors. theta energy: -22.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -434.468960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.468960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.468960 (E_RNA)
where:
Base-Base interactions energy: -139.334
where: short stacking energy: -109.115
Base-Backbone interact. energy: 0.695
local terms energy: -295.830332
where:
bonds (distance) C4'-P energy: -73.350
bonds (distance) P-C4' energy: -88.209
flat angles C4'-P-C4' energy: -79.810
flat angles P-C4'-P energy: -53.066
tors. eta vs tors. theta energy: -1.396
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: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -395.320501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.320501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.320501 (E_RNA)
where:
Base-Base interactions energy: -123.897
where: short stacking energy: -97.416
Base-Backbone interact. energy: 0.020
local terms energy: -271.444047
where:
bonds (distance) C4'-P energy: -77.928
bonds (distance) P-C4' energy: -85.365
flat angles C4'-P-C4' energy: -77.616
flat angles P-C4'-P energy: -43.678
tors. eta vs tors. theta energy: 13.143
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: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -368.392940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.392940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.392940 (E_RNA)
where:
Base-Base interactions energy: -108.876
where: short stacking energy: -103.496
Base-Backbone interact. energy: -0.831
local terms energy: -258.685954
where:
bonds (distance) C4'-P energy: -79.364
bonds (distance) P-C4' energy: -82.312
flat angles C4'-P-C4' energy: -65.594
flat angles P-C4'-P energy: -38.773
tors. eta vs tors. theta energy: 7.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -367.000807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.000807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.000807 (E_RNA)
where:
Base-Base interactions energy: -126.283
where: short stacking energy: -115.014
Base-Backbone interact. energy: 0.220
local terms energy: -240.938023
where:
bonds (distance) C4'-P energy: -71.162
bonds (distance) P-C4' energy: -75.571
flat angles C4'-P-C4' energy: -59.149
flat angles P-C4'-P energy: -26.978
tors. eta vs tors. theta energy: -8.077
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1244.321613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.321613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.321613 (E_RNA)
where:
Base-Base interactions energy: -774.643
where: short stacking energy: -411.874
Base-Backbone interact. energy: -2.494
local terms energy: -467.184301
where:
bonds (distance) C4'-P energy: -100.510
bonds (distance) P-C4' energy: -97.247
flat angles C4'-P-C4' energy: -88.067
flat angles P-C4'-P energy: -65.324
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: 2, replica: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1104.163139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.163139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.163139 (E_RNA)
where:
Base-Base interactions energy: -646.749
where: short stacking energy: -385.015
Base-Backbone interact. energy: 0.779
local terms energy: -458.193138
where:
bonds (distance) C4'-P energy: -80.947
bonds (distance) P-C4' energy: -101.004
flat angles C4'-P-C4' energy: -98.601
flat angles P-C4'-P energy: -64.976
tors. eta vs tors. theta energy: -112.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -930.385821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.385821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.385821 (E_RNA)
where:
Base-Base interactions energy: -531.375
where: short stacking energy: -337.398
Base-Backbone interact. energy: -0.077
local terms energy: -398.933947
where:
bonds (distance) C4'-P energy: -69.622
bonds (distance) P-C4' energy: -88.602
flat angles C4'-P-C4' energy: -96.524
flat angles P-C4'-P energy: -66.986
tors. eta vs tors. theta energy: -77.200
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: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -807.115929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.115929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.115929 (E_RNA)
where:
Base-Base interactions energy: -403.484
where: short stacking energy: -275.603
Base-Backbone interact. energy: -0.881
local terms energy: -402.751182
where:
bonds (distance) C4'-P energy: -93.422
bonds (distance) P-C4' energy: -94.727
flat angles C4'-P-C4' energy: -95.988
flat angles P-C4'-P energy: -46.740
tors. eta vs tors. theta energy: -71.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -714.668614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.668614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.668614 (E_RNA)
where:
Base-Base interactions energy: -343.453
where: short stacking energy: -236.692
Base-Backbone interact. energy: -0.811
local terms energy: -370.404883
where:
bonds (distance) C4'-P energy: -87.111
bonds (distance) P-C4' energy: -90.426
flat angles C4'-P-C4' energy: -87.665
flat angles P-C4'-P energy: -54.782
tors. eta vs tors. theta energy: -50.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -571.350833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.350833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.350833 (E_RNA)
where:
Base-Base interactions energy: -253.427
where: short stacking energy: -171.169
Base-Backbone interact. energy: -1.627
local terms energy: -316.297010
where:
bonds (distance) C4'-P energy: -78.059
bonds (distance) P-C4' energy: -85.950
flat angles C4'-P-C4' energy: -80.434
flat angles P-C4'-P energy: -45.735
tors. eta vs tors. theta energy: -26.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -432.101495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.101495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.101495 (E_RNA)
where:
Base-Base interactions energy: -141.478
where: short stacking energy: -128.695
Base-Backbone interact. energy: 2.185
local terms energy: -292.808036
where:
bonds (distance) C4'-P energy: -81.221
bonds (distance) P-C4' energy: -89.825
flat angles C4'-P-C4' energy: -77.569
flat angles P-C4'-P energy: -40.366
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -409.887294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.887294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.887294 (E_RNA)
where:
Base-Base interactions energy: -160.960
where: short stacking energy: -158.469
Base-Backbone interact. energy: 1.085
local terms energy: -250.011481
where:
bonds (distance) C4'-P energy: -61.531
bonds (distance) P-C4' energy: -74.934
flat angles C4'-P-C4' energy: -74.031
flat angles P-C4'-P energy: -37.515
tors. eta vs tors. theta energy: -2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -388.792021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.792021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.792021 (E_RNA)
where:
Base-Base interactions energy: -110.137
where: short stacking energy: -106.202
Base-Backbone interact. energy: -0.474
local terms energy: -278.180579
where:
bonds (distance) C4'-P energy: -74.367
bonds (distance) P-C4' energy: -74.977
flat angles C4'-P-C4' energy: -62.434
flat angles P-C4'-P energy: -64.521
tors. eta vs tors. theta energy: -1.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -344.603565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.603565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.603565 (E_RNA)
where:
Base-Base interactions energy: -94.824
where: short stacking energy: -91.121
Base-Backbone interact. energy: -0.835
local terms energy: -248.944364
where:
bonds (distance) C4'-P energy: -70.816
bonds (distance) P-C4' energy: -85.249
flat angles C4'-P-C4' energy: -66.477
flat angles P-C4'-P energy: -44.247
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1268.198126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.198126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.198126 (E_RNA)
where:
Base-Base interactions energy: -781.889
where: short stacking energy: -450.532
Base-Backbone interact. energy: -2.823
local terms energy: -483.486037
where:
bonds (distance) C4'-P energy: -92.354
bonds (distance) P-C4' energy: -93.344
flat angles C4'-P-C4' energy: -107.904
flat angles P-C4'-P energy: -67.754
tors. eta vs tors. theta energy: -122.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1087.957924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.957924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.957924 (E_RNA)
where:
Base-Base interactions energy: -623.669
where: short stacking energy: -359.333
Base-Backbone interact. energy: 5.064
local terms energy: -469.352911
where:
bonds (distance) C4'-P energy: -101.214
bonds (distance) P-C4' energy: -88.787
flat angles C4'-P-C4' energy: -100.810
flat angles P-C4'-P energy: -66.657
tors. eta vs tors. theta energy: -111.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -926.168600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.168600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.168600 (E_RNA)
where:
Base-Base interactions energy: -502.826
where: short stacking energy: -332.585
Base-Backbone interact. energy: 2.421
local terms energy: -425.763824
where:
bonds (distance) C4'-P energy: -84.189
bonds (distance) P-C4' energy: -99.457
flat angles C4'-P-C4' energy: -89.704
flat angles P-C4'-P energy: -75.942
tors. eta vs tors. theta energy: -76.472
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: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -793.043640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.043640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.043640 (E_RNA)
where:
Base-Base interactions energy: -400.155
where: short stacking energy: -267.784
Base-Backbone interact. energy: 0.480
local terms energy: -393.368693
where:
bonds (distance) C4'-P energy: -90.661
bonds (distance) P-C4' energy: -89.139
flat angles C4'-P-C4' energy: -87.656
flat angles P-C4'-P energy: -64.143
tors. eta vs tors. theta energy: -61.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -673.172988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.172988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.172988 (E_RNA)
where:
Base-Base interactions energy: -315.573
where: short stacking energy: -209.722
Base-Backbone interact. energy: -0.869
local terms energy: -356.731222
where:
bonds (distance) C4'-P energy: -90.080
bonds (distance) P-C4' energy: -74.802
flat angles C4'-P-C4' energy: -81.853
flat angles P-C4'-P energy: -62.850
tors. eta vs tors. theta energy: -47.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -586.171117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.171117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.171117 (E_RNA)
where:
Base-Base interactions energy: -266.682
where: short stacking energy: -190.169
Base-Backbone interact. energy: -1.571
local terms energy: -317.917909
where:
bonds (distance) C4'-P energy: -79.467
bonds (distance) P-C4' energy: -90.775
flat angles C4'-P-C4' energy: -78.628
flat angles P-C4'-P energy: -38.500
tors. eta vs tors. theta energy: -30.548
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: 7, replica: 1
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -501.614091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.614091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.614091 (E_RNA)
where:
Base-Base interactions energy: -204.595
where: short stacking energy: -158.902
Base-Backbone interact. energy: 1.247
local terms energy: -298.265493
where:
bonds (distance) C4'-P energy: -79.929
bonds (distance) P-C4' energy: -84.853
flat angles C4'-P-C4' energy: -62.122
flat angles P-C4'-P energy: -45.746
tors. eta vs tors. theta energy: -25.615
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: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -407.867893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.867893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.867893 (E_RNA)
where:
Base-Base interactions energy: -115.910
where: short stacking energy: -101.188
Base-Backbone interact. energy: -0.640
local terms energy: -291.317361
where:
bonds (distance) C4'-P energy: -76.969
bonds (distance) P-C4' energy: -82.388
flat angles C4'-P-C4' energy: -76.507
flat angles P-C4'-P energy: -57.925
tors. eta vs tors. theta energy: 2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -400.606520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.606520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.606520 (E_RNA)
where:
Base-Base interactions energy: -135.151
where: short stacking energy: -116.568
Base-Backbone interact. energy: 1.087
local terms energy: -266.542924
where:
bonds (distance) C4'-P energy: -73.390
bonds (distance) P-C4' energy: -86.391
flat angles C4'-P-C4' energy: -69.943
flat angles P-C4'-P energy: -26.033
tors. eta vs tors. theta energy: -10.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -389.990888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.990888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.990888 (E_RNA)
where:
Base-Base interactions energy: -134.762
where: short stacking energy: -109.126
Base-Backbone interact. energy: 0.171
local terms energy: -255.399622
where:
bonds (distance) C4'-P energy: -69.020
bonds (distance) P-C4' energy: -89.164
flat angles C4'-P-C4' energy: -70.190
flat angles P-C4'-P energy: -37.362
tors. eta vs tors. theta energy: 10.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1236.424892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.424892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.424892 (E_RNA)
where:
Base-Base interactions energy: -745.494
where: short stacking energy: -427.614
Base-Backbone interact. energy: -3.402
local terms energy: -487.528699
where:
bonds (distance) C4'-P energy: -98.262
bonds (distance) P-C4' energy: -93.617
flat angles C4'-P-C4' energy: -103.845
flat angles P-C4'-P energy: -63.936
tors. eta vs tors. theta energy: -127.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1099.877201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.877201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.877201 (E_RNA)
where:
Base-Base interactions energy: -619.807
where: short stacking energy: -382.235
Base-Backbone interact. energy: -2.075
local terms energy: -477.995986
where:
bonds (distance) C4'-P energy: -109.889
bonds (distance) P-C4' energy: -93.902
flat angles C4'-P-C4' energy: -97.177
flat angles P-C4'-P energy: -57.832
tors. eta vs tors. theta energy: -119.196
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: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -924.806523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.806523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.806523 (E_RNA)
where:
Base-Base interactions energy: -505.457
where: short stacking energy: -320.953
Base-Backbone interact. energy: -0.898
local terms energy: -418.451535
where:
bonds (distance) C4'-P energy: -93.933
bonds (distance) P-C4' energy: -89.972
flat angles C4'-P-C4' energy: -98.654
flat angles P-C4'-P energy: -51.118
tors. eta vs tors. theta energy: -84.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -780.551927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.551927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.551927 (E_RNA)
where:
Base-Base interactions energy: -405.853
where: short stacking energy: -269.943
Base-Backbone interact. energy: 0.531
local terms energy: -375.229871
where:
bonds (distance) C4'-P energy: -76.643
bonds (distance) P-C4' energy: -98.417
flat angles C4'-P-C4' energy: -79.359
flat angles P-C4'-P energy: -50.493
tors. eta vs tors. theta energy: -70.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -680.210786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.210786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.210786 (E_RNA)
where:
Base-Base interactions energy: -342.693
where: short stacking energy: -206.404
Base-Backbone interact. energy: -2.439
local terms energy: -335.078260
where:
bonds (distance) C4'-P energy: -81.223
bonds (distance) P-C4' energy: -91.802
flat angles C4'-P-C4' energy: -78.584
flat angles P-C4'-P energy: -45.634
tors. eta vs tors. theta energy: -37.835
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: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -553.964627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.964627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.964627 (E_RNA)
where:
Base-Base interactions energy: -250.302
where: short stacking energy: -176.766
Base-Backbone interact. energy: -0.779
local terms energy: -302.884024
where:
bonds (distance) C4'-P energy: -69.574
bonds (distance) P-C4' energy: -89.007
flat angles C4'-P-C4' energy: -80.698
flat angles P-C4'-P energy: -48.312
tors. eta vs tors. theta energy: -15.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -487.169244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.169244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.169244 (E_RNA)
where:
Base-Base interactions energy: -182.727
where: short stacking energy: -155.627
Base-Backbone interact. energy: -0.559
local terms energy: -303.882760
where:
bonds (distance) C4'-P energy: -78.872
bonds (distance) P-C4' energy: -83.266
flat angles C4'-P-C4' energy: -71.136
flat angles P-C4'-P energy: -54.264
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -417.639579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.639579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.639579 (E_RNA)
where:
Base-Base interactions energy: -150.043
where: short stacking energy: -125.446
Base-Backbone interact. energy: 3.691
local terms energy: -271.288078
where:
bonds (distance) C4'-P energy: -85.038
bonds (distance) P-C4' energy: -74.951
flat angles C4'-P-C4' energy: -56.039
flat angles P-C4'-P energy: -47.707
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: 9, replica: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -387.876054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.876054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.876054 (E_RNA)
where:
Base-Base interactions energy: -150.132
where: short stacking energy: -120.647
Base-Backbone interact. energy: -1.233
local terms energy: -236.511251
where:
bonds (distance) C4'-P energy: -57.423
bonds (distance) P-C4' energy: -76.679
flat angles C4'-P-C4' energy: -73.840
flat angles P-C4'-P energy: -35.241
tors. eta vs tors. theta energy: 6.671
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: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -352.719834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.719834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.719834 (E_RNA)
where:
Base-Base interactions energy: -124.052
where: short stacking energy: -106.893
Base-Backbone interact. energy: -2.697
local terms energy: -225.970135
where:
bonds (distance) C4'-P energy: -68.516
bonds (distance) P-C4' energy: -89.107
flat angles C4'-P-C4' energy: -60.820
flat angles P-C4'-P energy: -20.704
tors. eta vs tors. theta energy: 13.176
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1286.751673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.751673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.751673 (E_RNA)
where:
Base-Base interactions energy: -810.496
where: short stacking energy: -452.318
Base-Backbone interact. energy: 0.919
local terms energy: -477.175116
where:
bonds (distance) C4'-P energy: -97.629
bonds (distance) P-C4' energy: -78.131
flat angles C4'-P-C4' energy: -104.556
flat angles P-C4'-P energy: -67.954
tors. eta vs tors. theta energy: -128.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1083.025481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.025481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.025481 (E_RNA)
where:
Base-Base interactions energy: -615.787
where: short stacking energy: -383.489
Base-Backbone interact. energy: -2.784
local terms energy: -464.453774
where:
bonds (distance) C4'-P energy: -97.496
bonds (distance) P-C4' energy: -93.110
flat angles C4'-P-C4' energy: -95.860
flat angles P-C4'-P energy: -61.839
tors. eta vs tors. theta energy: -116.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -901.768927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.768927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.768927 (E_RNA)
where:
Base-Base interactions energy: -490.148
where: short stacking energy: -308.098
Base-Backbone interact. energy: -1.265
local terms energy: -410.355431
where:
bonds (distance) C4'-P energy: -94.171
bonds (distance) P-C4' energy: -94.199
flat angles C4'-P-C4' energy: -75.923
flat angles P-C4'-P energy: -59.435
tors. eta vs tors. theta energy: -86.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -776.298254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.298254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.298254 (E_RNA)
where:
Base-Base interactions energy: -416.045
where: short stacking energy: -273.009
Base-Backbone interact. energy: 0.897
local terms energy: -361.150564
where:
bonds (distance) C4'-P energy: -80.981
bonds (distance) P-C4' energy: -83.521
flat angles C4'-P-C4' energy: -87.242
flat angles P-C4'-P energy: -53.528
tors. eta vs tors. theta energy: -55.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -695.338074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.338074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.338074 (E_RNA)
where:
Base-Base interactions energy: -340.403
where: short stacking energy: -249.047
Base-Backbone interact. energy: -0.297
local terms energy: -354.637933
where:
bonds (distance) C4'-P energy: -93.544
bonds (distance) P-C4' energy: -74.052
flat angles C4'-P-C4' energy: -89.843
flat angles P-C4'-P energy: -50.659
tors. eta vs tors. theta energy: -46.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -576.432219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.432219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.432219 (E_RNA)
where:
Base-Base interactions energy: -256.175
where: short stacking energy: -171.152
Base-Backbone interact. energy: -1.868
local terms energy: -318.389616
where:
bonds (distance) C4'-P energy: -78.319
bonds (distance) P-C4' energy: -94.491
flat angles C4'-P-C4' energy: -75.452
flat angles P-C4'-P energy: -44.291
tors. eta vs tors. theta energy: -25.836
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: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -458.044519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.044519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.044519 (E_RNA)
where:
Base-Base interactions energy: -169.313
where: short stacking energy: -121.335
Base-Backbone interact. energy: -0.241
local terms energy: -288.490078
where:
bonds (distance) C4'-P energy: -80.109
bonds (distance) P-C4' energy: -71.910
flat angles C4'-P-C4' energy: -76.972
flat angles P-C4'-P energy: -54.661
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: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -410.118617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.118617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.118617 (E_RNA)
where:
Base-Base interactions energy: -145.440
where: short stacking energy: -126.687
Base-Backbone interact. energy: 0.660
local terms energy: -265.338817
where:
bonds (distance) C4'-P energy: -90.223
bonds (distance) P-C4' energy: -79.396
flat angles C4'-P-C4' energy: -75.380
flat angles P-C4'-P energy: -26.735
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: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -409.448643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.448643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.448643 (E_RNA)
where:
Base-Base interactions energy: -132.418
where: short stacking energy: -106.777
Base-Backbone interact. energy: -2.859
local terms energy: -274.172137
where:
bonds (distance) C4'-P energy: -72.106
bonds (distance) P-C4' energy: -88.687
flat angles C4'-P-C4' energy: -87.442
flat angles P-C4'-P energy: -39.372
tors. eta vs tors. theta energy: 13.435
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: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -355.702988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.702988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.702988 (E_RNA)
where:
Base-Base interactions energy: -106.959
where: short stacking energy: -87.417
Base-Backbone interact. energy: 0.163
local terms energy: -248.906829
where:
bonds (distance) C4'-P energy: -76.714
bonds (distance) P-C4' energy: -89.016
flat angles C4'-P-C4' energy: -51.326
flat angles P-C4'-P energy: -41.380
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1264.915249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.915249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.915249 (E_RNA)
where:
Base-Base interactions energy: -763.175
where: short stacking energy: -443.200
Base-Backbone interact. energy: -3.103
local terms energy: -498.637036
where:
bonds (distance) C4'-P energy: -92.231
bonds (distance) P-C4' energy: -96.339
flat angles C4'-P-C4' energy: -102.262
flat angles P-C4'-P energy: -79.007
tors. eta vs tors. theta energy: -128.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1086.324281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.324281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.324281 (E_RNA)
where:
Base-Base interactions energy: -613.850
where: short stacking energy: -346.576
Base-Backbone interact. energy: 0.214
local terms energy: -472.688118
where:
bonds (distance) C4'-P energy: -95.606
bonds (distance) P-C4' energy: -99.313
flat angles C4'-P-C4' energy: -103.066
flat angles P-C4'-P energy: -68.813
tors. eta vs tors. theta energy: -105.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -939.848584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.848584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.848584 (E_RNA)
where:
Base-Base interactions energy: -521.676
where: short stacking energy: -321.268
Base-Backbone interact. energy: -0.218
local terms energy: -417.955144
where:
bonds (distance) C4'-P energy: -74.275
bonds (distance) P-C4' energy: -101.168
flat angles C4'-P-C4' energy: -100.919
flat angles P-C4'-P energy: -58.517
tors. eta vs tors. theta energy: -83.076
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: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -831.475850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.475850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.475850 (E_RNA)
where:
Base-Base interactions energy: -425.253
where: short stacking energy: -283.980
Base-Backbone interact. energy: 0.611
local terms energy: -406.833477
where:
bonds (distance) C4'-P energy: -81.238
bonds (distance) P-C4' energy: -100.355
flat angles C4'-P-C4' energy: -86.929
flat angles P-C4'-P energy: -72.429
tors. eta vs tors. theta energy: -65.882
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: 311
Temperature: 1.100000
Total energy: -643.485917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.485917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.485917 (E_RNA)
where:
Base-Base interactions energy: -326.259
where: short stacking energy: -206.304
Base-Backbone interact. energy: -1.115
local terms energy: -316.112463
where:
bonds (distance) C4'-P energy: -88.788
bonds (distance) P-C4' energy: -87.806
flat angles C4'-P-C4' energy: -70.197
flat angles P-C4'-P energy: -49.810
tors. eta vs tors. theta energy: -19.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -628.013883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.013883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.013883 (E_RNA)
where:
Base-Base interactions energy: -304.399
where: short stacking energy: -185.985
Base-Backbone interact. energy: -1.738
local terms energy: -321.877186
where:
bonds (distance) C4'-P energy: -91.739
bonds (distance) P-C4' energy: -73.468
flat angles C4'-P-C4' energy: -86.823
flat angles P-C4'-P energy: -44.780
tors. eta vs tors. theta energy: -25.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -478.537682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.537682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.537682 (E_RNA)
where:
Base-Base interactions energy: -189.497
where: short stacking energy: -163.901
Base-Backbone interact. energy: 0.445
local terms energy: -289.485015
where:
bonds (distance) C4'-P energy: -77.497
bonds (distance) P-C4' energy: -75.520
flat angles C4'-P-C4' energy: -76.800
flat angles P-C4'-P energy: -46.278
tors. eta vs tors. theta energy: -13.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -402.311339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.311339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.311339 (E_RNA)
where:
Base-Base interactions energy: -132.133
where: short stacking energy: -111.972
Base-Backbone interact. energy: -1.575
local terms energy: -268.602861
where:
bonds (distance) C4'-P energy: -89.750
bonds (distance) P-C4' energy: -71.237
flat angles C4'-P-C4' energy: -74.507
flat angles P-C4'-P energy: -43.700
tors. eta vs tors. theta energy: 10.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -381.304351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.304351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.304351 (E_RNA)
where:
Base-Base interactions energy: -118.797
where: short stacking energy: -108.395
Base-Backbone interact. energy: -1.417
local terms energy: -261.090230
where:
bonds (distance) C4'-P energy: -65.023
bonds (distance) P-C4' energy: -83.702
flat angles C4'-P-C4' energy: -81.823
flat angles P-C4'-P energy: -45.788
tors. eta vs tors. theta energy: 15.246
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: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -344.242635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.242635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.242635 (E_RNA)
where:
Base-Base interactions energy: -83.525
where: short stacking energy: -79.162
Base-Backbone interact. energy: 2.377
local terms energy: -263.094636
where:
bonds (distance) C4'-P energy: -89.101
bonds (distance) P-C4' energy: -73.973
flat angles C4'-P-C4' energy: -59.468
flat angles P-C4'-P energy: -56.499
tors. eta vs tors. theta energy: 15.947
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1269.320344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.320344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.320344 (E_RNA)
where:
Base-Base interactions energy: -783.571
where: short stacking energy: -431.414
Base-Backbone interact. energy: -2.277
local terms energy: -483.472297
where:
bonds (distance) C4'-P energy: -92.363
bonds (distance) P-C4' energy: -94.636
flat angles C4'-P-C4' energy: -107.542
flat angles P-C4'-P energy: -62.977
tors. eta vs tors. theta energy: -125.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1081.061345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.061345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.061345 (E_RNA)
where:
Base-Base interactions energy: -620.237
where: short stacking energy: -387.332
Base-Backbone interact. energy: -0.392
local terms energy: -460.432307
where:
bonds (distance) C4'-P energy: -87.486
bonds (distance) P-C4' energy: -99.515
flat angles C4'-P-C4' energy: -92.336
flat angles P-C4'-P energy: -69.996
tors. eta vs tors. theta energy: -111.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -961.080892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.080892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.080892 (E_RNA)
where:
Base-Base interactions energy: -524.762
where: short stacking energy: -331.448
Base-Backbone interact. energy: -0.261
local terms energy: -436.057993
where:
bonds (distance) C4'-P energy: -87.417
bonds (distance) P-C4' energy: -95.985
flat angles C4'-P-C4' energy: -103.592
flat angles P-C4'-P energy: -66.101
tors. eta vs tors. theta energy: -82.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -818.060051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.060051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.060051 (E_RNA)
where:
Base-Base interactions energy: -426.086
where: short stacking energy: -279.125
Base-Backbone interact. energy: -0.363
local terms energy: -391.610466
where:
bonds (distance) C4'-P energy: -92.425
bonds (distance) P-C4' energy: -77.474
flat angles C4'-P-C4' energy: -92.501
flat angles P-C4'-P energy: -64.941
tors. eta vs tors. theta energy: -64.270
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: 5, replica: 3
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -626.441532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.441532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.441532 (E_RNA)
where:
Base-Base interactions energy: -311.534
where: short stacking energy: -224.369
Base-Backbone interact. energy: -3.835
local terms energy: -311.072129
where:
bonds (distance) C4'-P energy: -86.392
bonds (distance) P-C4' energy: -70.749
flat angles C4'-P-C4' energy: -78.030
flat angles P-C4'-P energy: -44.577
tors. eta vs tors. theta energy: -31.325
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: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -628.312996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.312996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.312996 (E_RNA)
where:
Base-Base interactions energy: -310.988
where: short stacking energy: -207.703
Base-Backbone interact. energy: -0.362
local terms energy: -316.962466
where:
bonds (distance) C4'-P energy: -94.326
bonds (distance) P-C4' energy: -76.898
flat angles C4'-P-C4' energy: -71.667
flat angles P-C4'-P energy: -47.290
tors. eta vs tors. theta energy: -26.781
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: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -458.487028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.487028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.487028 (E_RNA)
where:
Base-Base interactions energy: -170.832
where: short stacking energy: -125.722
Base-Backbone interact. energy: -0.009
local terms energy: -287.645774
where:
bonds (distance) C4'-P energy: -73.858
bonds (distance) P-C4' energy: -86.006
flat angles C4'-P-C4' energy: -68.237
flat angles P-C4'-P energy: -52.713
tors. eta vs tors. theta energy: -6.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -407.557183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.557183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.557183 (E_RNA)
where:
Base-Base interactions energy: -139.619
where: short stacking energy: -117.211
Base-Backbone interact. energy: 1.287
local terms energy: -269.225056
where:
bonds (distance) C4'-P energy: -75.683
bonds (distance) P-C4' energy: -76.702
flat angles C4'-P-C4' energy: -67.061
flat angles P-C4'-P energy: -46.149
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -371.990835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.990835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.990835 (E_RNA)
where:
Base-Base interactions energy: -129.957
where: short stacking energy: -105.494
Base-Backbone interact. energy: 1.189
local terms energy: -243.222648
where:
bonds (distance) C4'-P energy: -73.681
bonds (distance) P-C4' energy: -66.584
flat angles C4'-P-C4' energy: -61.876
flat angles P-C4'-P energy: -51.755
tors. eta vs tors. theta energy: 10.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -351.228923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.228923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.228923 (E_RNA)
where:
Base-Base interactions energy: -99.212
where: short stacking energy: -92.000
Base-Backbone interact. energy: 3.637
local terms energy: -255.653856
where:
bonds (distance) C4'-P energy: -80.422
bonds (distance) P-C4' energy: -99.502
flat angles C4'-P-C4' energy: -53.116
flat angles P-C4'-P energy: -40.134
tors. eta vs tors. theta energy: 17.519
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1271.956200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.956200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.956200 (E_RNA)
where:
Base-Base interactions energy: -794.109
where: short stacking energy: -451.707
Base-Backbone interact. energy: -0.559
local terms energy: -477.287660
where:
bonds (distance) C4'-P energy: -96.611
bonds (distance) P-C4' energy: -101.265
flat angles C4'-P-C4' energy: -95.228
flat angles P-C4'-P energy: -61.752
tors. eta vs tors. theta energy: -122.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1062.009834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.009834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.009834 (E_RNA)
where:
Base-Base interactions energy: -597.897
where: short stacking energy: -366.136
Base-Backbone interact. energy: -1.743
local terms energy: -462.369489
where:
bonds (distance) C4'-P energy: -95.043
bonds (distance) P-C4' energy: -93.678
flat angles C4'-P-C4' energy: -100.280
flat angles P-C4'-P energy: -64.440
tors. eta vs tors. theta energy: -108.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -889.213610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.213610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.213610 (E_RNA)
where:
Base-Base interactions energy: -477.973
where: short stacking energy: -283.052
Base-Backbone interact. energy: 0.048
local terms energy: -411.288437
where:
bonds (distance) C4'-P energy: -93.124
bonds (distance) P-C4' energy: -90.726
flat angles C4'-P-C4' energy: -91.662
flat angles P-C4'-P energy: -69.719
tors. eta vs tors. theta energy: -66.058
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: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -806.191474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.191474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.191474 (E_RNA)
where:
Base-Base interactions energy: -400.839
where: short stacking energy: -254.901
Base-Backbone interact. energy: -0.784
local terms energy: -404.568156
where:
bonds (distance) C4'-P energy: -90.948
bonds (distance) P-C4' energy: -87.459
flat angles C4'-P-C4' energy: -104.667
flat angles P-C4'-P energy: -62.761
tors. eta vs tors. theta energy: -58.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -639.028048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.028048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.028048 (E_RNA)
where:
Base-Base interactions energy: -267.567
where: short stacking energy: -190.990
Base-Backbone interact. energy: 0.474
local terms energy: -371.934836
where:
bonds (distance) C4'-P energy: -100.186
bonds (distance) P-C4' energy: -93.767
flat angles C4'-P-C4' energy: -84.730
flat angles P-C4'-P energy: -55.124
tors. eta vs tors. theta energy: -38.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -621.528170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.528170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.528170 (E_RNA)
where:
Base-Base interactions energy: -291.771
where: short stacking energy: -197.666
Base-Backbone interact. energy: -0.993
local terms energy: -328.764167
where:
bonds (distance) C4'-P energy: -81.703
bonds (distance) P-C4' energy: -87.877
flat angles C4'-P-C4' energy: -70.669
flat angles P-C4'-P energy: -50.331
tors. eta vs tors. theta energy: -38.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -482.119127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.119127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.119127 (E_RNA)
where:
Base-Base interactions energy: -178.577
where: short stacking energy: -159.032
Base-Backbone interact. energy: 1.538
local terms energy: -305.080506
where:
bonds (distance) C4'-P energy: -66.630
bonds (distance) P-C4' energy: -93.435
flat angles C4'-P-C4' energy: -90.470
flat angles P-C4'-P energy: -34.880
tors. eta vs tors. theta energy: -19.665
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: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -401.866156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.866156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.866156 (E_RNA)
where:
Base-Base interactions energy: -150.485
where: short stacking energy: -130.459
Base-Backbone interact. energy: -0.033
local terms energy: -251.347750
where:
bonds (distance) C4'-P energy: -71.763
bonds (distance) P-C4' energy: -69.257
flat angles C4'-P-C4' energy: -58.967
flat angles P-C4'-P energy: -51.503
tors. eta vs tors. theta energy: 0.142
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: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -397.232992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.232992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.232992 (E_RNA)
where:
Base-Base interactions energy: -117.428
where: short stacking energy: -89.474
Base-Backbone interact. energy: 0.007
local terms energy: -279.812018
where:
bonds (distance) C4'-P energy: -84.629
bonds (distance) P-C4' energy: -82.913
flat angles C4'-P-C4' energy: -72.231
flat angles P-C4'-P energy: -49.488
tors. eta vs tors. theta energy: 9.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -353.264724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.264724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.264724 (E_RNA)
where:
Base-Base interactions energy: -120.774
where: short stacking energy: -108.353
Base-Backbone interact. energy: 0.523
local terms energy: -233.013371
where:
bonds (distance) C4'-P energy: -59.220
bonds (distance) P-C4' energy: -74.944
flat angles C4'-P-C4' energy: -64.613
flat angles P-C4'-P energy: -42.747
tors. eta vs tors. theta energy: 8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1262.320926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.320926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.320926 (E_RNA)
where:
Base-Base interactions energy: -778.871
where: short stacking energy: -434.349
Base-Backbone interact. energy: 0.083
local terms energy: -483.533180
where:
bonds (distance) C4'-P energy: -91.429
bonds (distance) P-C4' energy: -95.474
flat angles C4'-P-C4' energy: -106.677
flat angles P-C4'-P energy: -64.268
tors. eta vs tors. theta energy: -125.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1108.764897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.764897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.764897 (E_RNA)
where:
Base-Base interactions energy: -629.464
where: short stacking energy: -380.283
Base-Backbone interact. energy: 0.014
local terms energy: -479.315330
where:
bonds (distance) C4'-P energy: -98.204
bonds (distance) P-C4' energy: -101.151
flat angles C4'-P-C4' energy: -103.172
flat angles P-C4'-P energy: -66.834
tors. eta vs tors. theta energy: -109.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -935.919665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.919665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.919665 (E_RNA)
where:
Base-Base interactions energy: -517.171
where: short stacking energy: -331.057
Base-Backbone interact. energy: -2.209
local terms energy: -416.539619
where:
bonds (distance) C4'-P energy: -96.416
bonds (distance) P-C4' energy: -79.543
flat angles C4'-P-C4' energy: -92.114
flat angles P-C4'-P energy: -55.244
tors. eta vs tors. theta energy: -93.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -800.119975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.119975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.119975 (E_RNA)
where:
Base-Base interactions energy: -415.215
where: short stacking energy: -270.980
Base-Backbone interact. energy: 3.413
local terms energy: -388.318319
where:
bonds (distance) C4'-P energy: -85.717
bonds (distance) P-C4' energy: -89.037
flat angles C4'-P-C4' energy: -91.329
flat angles P-C4'-P energy: -57.449
tors. eta vs tors. theta energy: -64.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -662.846265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.846265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.846265 (E_RNA)
where:
Base-Base interactions energy: -334.012
where: short stacking energy: -219.040
Base-Backbone interact. energy: -0.357
local terms energy: -328.476688
where:
bonds (distance) C4'-P energy: -83.901
bonds (distance) P-C4' energy: -88.858
flat angles C4'-P-C4' energy: -67.487
flat angles P-C4'-P energy: -52.596
tors. eta vs tors. theta energy: -35.634
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: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -577.251314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.251314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.251314 (E_RNA)
where:
Base-Base interactions energy: -276.871
where: short stacking energy: -204.482
Base-Backbone interact. energy: 1.227
local terms energy: -301.606662
where:
bonds (distance) C4'-P energy: -76.095
bonds (distance) P-C4' energy: -84.035
flat angles C4'-P-C4' energy: -81.243
flat angles P-C4'-P energy: -36.487
tors. eta vs tors. theta energy: -23.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -443.799206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.799206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.799206 (E_RNA)
where:
Base-Base interactions energy: -161.570
where: short stacking energy: -129.766
Base-Backbone interact. energy: -1.070
local terms energy: -281.159506
where:
bonds (distance) C4'-P energy: -79.451
bonds (distance) P-C4' energy: -91.361
flat angles C4'-P-C4' energy: -65.146
flat angles P-C4'-P energy: -44.634
tors. eta vs tors. theta energy: -0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -454.437802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.437802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.437802 (E_RNA)
where:
Base-Base interactions energy: -178.513
where: short stacking energy: -142.093
Base-Backbone interact. energy: -2.000
local terms energy: -273.925201
where:
bonds (distance) C4'-P energy: -58.091
bonds (distance) P-C4' energy: -102.101
flat angles C4'-P-C4' energy: -78.282
flat angles P-C4'-P energy: -37.755
tors. eta vs tors. theta energy: 2.303
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: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -370.570045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.570045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.570045 (E_RNA)
where:
Base-Base interactions energy: -130.317
where: short stacking energy: -111.450
Base-Backbone interact. energy: 0.365
local terms energy: -240.618289
where:
bonds (distance) C4'-P energy: -91.772
bonds (distance) P-C4' energy: -87.146
flat angles C4'-P-C4' energy: -64.868
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: 23.484
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: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -355.368471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.368471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.368471 (E_RNA)
where:
Base-Base interactions energy: -103.293
where: short stacking energy: -98.637
Base-Backbone interact. energy: 1.672
local terms energy: -253.747439
where:
bonds (distance) C4'-P energy: -93.512
bonds (distance) P-C4' energy: -73.137
flat angles C4'-P-C4' energy: -66.486
flat angles P-C4'-P energy: -37.156
tors. eta vs tors. theta energy: 16.544
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1248.288265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.288265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.288265 (E_RNA)
where:
Base-Base interactions energy: -763.605
where: short stacking energy: -426.446
Base-Backbone interact. energy: -0.183
local terms energy: -484.500183
where:
bonds (distance) C4'-P energy: -85.680
bonds (distance) P-C4' energy: -96.086
flat angles C4'-P-C4' energy: -110.186
flat angles P-C4'-P energy: -65.285
tors. eta vs tors. theta energy: -127.264
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: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1089.128925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.128925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.128925 (E_RNA)
where:
Base-Base interactions energy: -626.132
where: short stacking energy: -385.185
Base-Backbone interact. energy: 0.821
local terms energy: -463.817450
where:
bonds (distance) C4'-P energy: -98.078
bonds (distance) P-C4' energy: -78.709
flat angles C4'-P-C4' energy: -99.786
flat angles P-C4'-P energy: -68.059
tors. eta vs tors. theta energy: -119.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -905.653013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.653013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.653013 (E_RNA)
where:
Base-Base interactions energy: -514.529
where: short stacking energy: -290.275
Base-Backbone interact. energy: -1.356
local terms energy: -389.768529
where:
bonds (distance) C4'-P energy: -86.743
bonds (distance) P-C4' energy: -93.434
flat angles C4'-P-C4' energy: -89.851
flat angles P-C4'-P energy: -52.591
tors. eta vs tors. theta energy: -67.149
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: 315
Temperature: 1.050000
Total energy: -751.179899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.179899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.179899 (E_RNA)
where:
Base-Base interactions energy: -370.146
where: short stacking energy: -239.841
Base-Backbone interact. energy: -1.327
local terms energy: -379.707025
where:
bonds (distance) C4'-P energy: -87.618
bonds (distance) P-C4' energy: -93.241
flat angles C4'-P-C4' energy: -92.158
flat angles P-C4'-P energy: -55.692
tors. eta vs tors. theta energy: -50.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -682.503106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.503106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.503106 (E_RNA)
where:
Base-Base interactions energy: -328.648
where: short stacking energy: -212.567
Base-Backbone interact. energy: -0.591
local terms energy: -353.263776
where:
bonds (distance) C4'-P energy: -85.745
bonds (distance) P-C4' energy: -80.039
flat angles C4'-P-C4' energy: -94.098
flat angles P-C4'-P energy: -56.208
tors. eta vs tors. theta energy: -37.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -571.098705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.098705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.098705 (E_RNA)
where:
Base-Base interactions energy: -273.984
where: short stacking energy: -181.276
Base-Backbone interact. energy: 6.479
local terms energy: -303.593215
where:
bonds (distance) C4'-P energy: -63.063
bonds (distance) P-C4' energy: -77.569
flat angles C4'-P-C4' energy: -79.598
flat angles P-C4'-P energy: -55.548
tors. eta vs tors. theta energy: -27.814
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: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -462.306918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.306918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.306918 (E_RNA)
where:
Base-Base interactions energy: -182.184
where: short stacking energy: -141.081
Base-Backbone interact. energy: -0.485
local terms energy: -279.638246
where:
bonds (distance) C4'-P energy: -85.714
bonds (distance) P-C4' energy: -76.467
flat angles C4'-P-C4' energy: -63.448
flat angles P-C4'-P energy: -47.845
tors. eta vs tors. theta energy: -6.164
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: 315
Temperature: 1.250000
Total energy: -467.236712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.236712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.236712 (E_RNA)
where:
Base-Base interactions energy: -200.925
where: short stacking energy: -153.516
Base-Backbone interact. energy: 0.881
local terms energy: -267.192798
where:
bonds (distance) C4'-P energy: -76.687
bonds (distance) P-C4' energy: -85.722
flat angles C4'-P-C4' energy: -55.977
flat angles P-C4'-P energy: -41.552
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -374.865024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.865024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.865024 (E_RNA)
where:
Base-Base interactions energy: -130.361
where: short stacking energy: -119.442
Base-Backbone interact. energy: 1.787
local terms energy: -246.290826
where:
bonds (distance) C4'-P energy: -69.428
bonds (distance) P-C4' energy: -86.763
flat angles C4'-P-C4' energy: -70.164
flat angles P-C4'-P energy: -32.219
tors. eta vs tors. theta energy: 12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -361.382465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.382465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.382465 (E_RNA)
where:
Base-Base interactions energy: -107.523
where: short stacking energy: -95.988
Base-Backbone interact. energy: -0.832
local terms energy: -253.027294
where:
bonds (distance) C4'-P energy: -79.258
bonds (distance) P-C4' energy: -79.746
flat angles C4'-P-C4' energy: -63.734
flat angles P-C4'-P energy: -44.489
tors. eta vs tors. theta energy: 14.199
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1235.738515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.738515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.738515 (E_RNA)
where:
Base-Base interactions energy: -761.703
where: short stacking energy: -427.849
Base-Backbone interact. energy: 0.076
local terms energy: -474.111819
where:
bonds (distance) C4'-P energy: -83.496
bonds (distance) P-C4' energy: -83.469
flat angles C4'-P-C4' energy: -98.023
flat angles P-C4'-P energy: -80.591
tors. eta vs tors. theta energy: -128.533
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: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1081.781598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.781598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.781598 (E_RNA)
where:
Base-Base interactions energy: -624.100
where: short stacking energy: -390.557
Base-Backbone interact. energy: 0.166
local terms energy: -457.847777
where:
bonds (distance) C4'-P energy: -95.020
bonds (distance) P-C4' energy: -81.965
flat angles C4'-P-C4' energy: -101.882
flat angles P-C4'-P energy: -63.884
tors. eta vs tors. theta energy: -115.096
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: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -880.758413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.758413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.758413 (E_RNA)
where:
Base-Base interactions energy: -487.155
where: short stacking energy: -298.115
Base-Backbone interact. energy: -0.686
local terms energy: -392.917395
where:
bonds (distance) C4'-P energy: -87.523
bonds (distance) P-C4' energy: -83.903
flat angles C4'-P-C4' energy: -84.798
flat angles P-C4'-P energy: -60.261
tors. eta vs tors. theta energy: -76.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -808.162623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.162623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.162623 (E_RNA)
where:
Base-Base interactions energy: -427.644
where: short stacking energy: -264.106
Base-Backbone interact. energy: 0.622
local terms energy: -381.141258
where:
bonds (distance) C4'-P energy: -90.150
bonds (distance) P-C4' energy: -83.485
flat angles C4'-P-C4' energy: -85.555
flat angles P-C4'-P energy: -62.199
tors. eta vs tors. theta energy: -59.753
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: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -648.547856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.547856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.547856 (E_RNA)
where:
Base-Base interactions energy: -302.860
where: short stacking energy: -197.951
Base-Backbone interact. energy: 0.138
local terms energy: -345.825547
where:
bonds (distance) C4'-P energy: -85.363
bonds (distance) P-C4' energy: -87.417
flat angles C4'-P-C4' energy: -93.944
flat angles P-C4'-P energy: -53.039
tors. eta vs tors. theta energy: -26.062
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: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -580.410987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.410987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.410987 (E_RNA)
where:
Base-Base interactions energy: -274.155
where: short stacking energy: -188.001
Base-Backbone interact. energy: 2.369
local terms energy: -308.625481
where:
bonds (distance) C4'-P energy: -75.963
bonds (distance) P-C4' energy: -80.711
flat angles C4'-P-C4' energy: -69.179
flat angles P-C4'-P energy: -64.382
tors. eta vs tors. theta energy: -18.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -449.061275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.061275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.061275 (E_RNA)
where:
Base-Base interactions energy: -161.082
where: short stacking energy: -113.871
Base-Backbone interact. energy: -0.192
local terms energy: -287.787073
where:
bonds (distance) C4'-P energy: -80.484
bonds (distance) P-C4' energy: -91.511
flat angles C4'-P-C4' energy: -82.211
flat angles P-C4'-P energy: -44.412
tors. eta vs tors. theta energy: 10.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -426.599366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.599366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.599366 (E_RNA)
where:
Base-Base interactions energy: -157.129
where: short stacking energy: -131.105
Base-Backbone interact. energy: 0.792
local terms energy: -270.261848
where:
bonds (distance) C4'-P energy: -70.846
bonds (distance) P-C4' energy: -77.166
flat angles C4'-P-C4' energy: -69.572
flat angles P-C4'-P energy: -52.025
tors. eta vs tors. theta energy: -0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -396.123013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.123013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.123013 (E_RNA)
where:
Base-Base interactions energy: -144.534
where: short stacking energy: -122.855
Base-Backbone interact. energy: -1.084
local terms energy: -250.504543
where:
bonds (distance) C4'-P energy: -76.280
bonds (distance) P-C4' energy: -88.519
flat angles C4'-P-C4' energy: -45.886
flat angles P-C4'-P energy: -41.519
tors. eta vs tors. theta energy: 1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -333.507899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.507899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.507899 (E_RNA)
where:
Base-Base interactions energy: -95.696
where: short stacking energy: -68.790
Base-Backbone interact. energy: 4.472
local terms energy: -242.283383
where:
bonds (distance) C4'-P energy: -82.565
bonds (distance) P-C4' energy: -78.790
flat angles C4'-P-C4' energy: -56.756
flat angles P-C4'-P energy: -48.359
tors. eta vs tors. theta energy: 24.186
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1217.395424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.395424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.395424 (E_RNA)
where:
Base-Base interactions energy: -712.886
where: short stacking energy: -406.014
Base-Backbone interact. energy: -0.685
local terms energy: -503.824084
where:
bonds (distance) C4'-P energy: -96.880
bonds (distance) P-C4' energy: -102.640
flat angles C4'-P-C4' energy: -105.494
flat angles P-C4'-P energy: -73.426
tors. eta vs tors. theta energy: -125.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1123.188513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.188513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.188513 (E_RNA)
where:
Base-Base interactions energy: -643.066
where: short stacking energy: -381.597
Base-Backbone interact. energy: -1.519
local terms energy: -478.603023
where:
bonds (distance) C4'-P energy: -89.609
bonds (distance) P-C4' energy: -107.272
flat angles C4'-P-C4' energy: -111.467
flat angles P-C4'-P energy: -64.591
tors. eta vs tors. theta energy: -105.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -872.208280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.208280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.208280 (E_RNA)
where:
Base-Base interactions energy: -469.651
where: short stacking energy: -272.243
Base-Backbone interact. energy: -0.443
local terms energy: -402.114387
where:
bonds (distance) C4'-P energy: -85.822
bonds (distance) P-C4' energy: -91.768
flat angles C4'-P-C4' energy: -91.718
flat angles P-C4'-P energy: -70.185
tors. eta vs tors. theta energy: -62.622
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: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -804.969795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.969795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.969795 (E_RNA)
where:
Base-Base interactions energy: -442.204
where: short stacking energy: -266.965
Base-Backbone interact. energy: -1.011
local terms energy: -361.754605
where:
bonds (distance) C4'-P energy: -76.505
bonds (distance) P-C4' energy: -84.753
flat angles C4'-P-C4' energy: -85.746
flat angles P-C4'-P energy: -54.640
tors. eta vs tors. theta energy: -60.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -658.853034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.853034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.853034 (E_RNA)
where:
Base-Base interactions energy: -327.914
where: short stacking energy: -195.664
Base-Backbone interact. energy: 8.943
local terms energy: -339.881475
where:
bonds (distance) C4'-P energy: -89.291
bonds (distance) P-C4' energy: -85.361
flat angles C4'-P-C4' energy: -87.535
flat angles P-C4'-P energy: -46.669
tors. eta vs tors. theta energy: -31.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -561.513791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.513791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.513791 (E_RNA)
where:
Base-Base interactions energy: -255.615
where: short stacking energy: -205.918
Base-Backbone interact. energy: -0.101
local terms energy: -305.798007
where:
bonds (distance) C4'-P energy: -77.582
bonds (distance) P-C4' energy: -84.050
flat angles C4'-P-C4' energy: -72.520
flat angles P-C4'-P energy: -41.949
tors. eta vs tors. theta energy: -29.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -454.378171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.378171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.378171 (E_RNA)
where:
Base-Base interactions energy: -165.496
where: short stacking energy: -147.138
Base-Backbone interact. energy: -0.086
local terms energy: -288.796618
where:
bonds (distance) C4'-P energy: -86.333
bonds (distance) P-C4' energy: -85.962
flat angles C4'-P-C4' energy: -58.409
flat angles P-C4'-P energy: -42.200
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -401.887966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.887966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.887966 (E_RNA)
where:
Base-Base interactions energy: -164.856
where: short stacking energy: -122.644
Base-Backbone interact. energy: 7.049
local terms energy: -244.080087
where:
bonds (distance) C4'-P energy: -77.753
bonds (distance) P-C4' energy: -75.725
flat angles C4'-P-C4' energy: -70.997
flat angles P-C4'-P energy: -35.324
tors. eta vs tors. theta energy: 15.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -398.222775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.222775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.222775 (E_RNA)
where:
Base-Base interactions energy: -131.363
where: short stacking energy: -110.662
Base-Backbone interact. energy: -0.114
local terms energy: -266.745880
where:
bonds (distance) C4'-P energy: -80.484
bonds (distance) P-C4' energy: -76.667
flat angles C4'-P-C4' energy: -61.315
flat angles P-C4'-P energy: -58.671
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: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -360.735382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.735382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.735382 (E_RNA)
where:
Base-Base interactions energy: -134.093
where: short stacking energy: -113.068
Base-Backbone interact. energy: -0.343
local terms energy: -226.298490
where:
bonds (distance) C4'-P energy: -67.427
bonds (distance) P-C4' energy: -73.154
flat angles C4'-P-C4' energy: -59.941
flat angles P-C4'-P energy: -35.568
tors. eta vs tors. theta energy: 9.792
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1203.469288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.469288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.469288 (E_RNA)
where:
Base-Base interactions energy: -734.570
where: short stacking energy: -415.359
Base-Backbone interact. energy: -1.797
local terms energy: -467.102108
where:
bonds (distance) C4'-P energy: -82.628
bonds (distance) P-C4' energy: -103.741
flat angles C4'-P-C4' energy: -99.917
flat angles P-C4'-P energy: -60.401
tors. eta vs tors. theta energy: -120.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1119.271776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.271776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.271776 (E_RNA)
where:
Base-Base interactions energy: -657.522
where: short stacking energy: -398.349
Base-Backbone interact. energy: 0.622
local terms energy: -462.372074
where:
bonds (distance) C4'-P energy: -91.890
bonds (distance) P-C4' energy: -89.285
flat angles C4'-P-C4' energy: -105.016
flat angles P-C4'-P energy: -62.686
tors. eta vs tors. theta energy: -113.495
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: 3, replica: 9
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -949.988713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.988713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.988713 (E_RNA)
where:
Base-Base interactions energy: -537.444
where: short stacking energy: -313.895
Base-Backbone interact. energy: 0.975
local terms energy: -413.519647
where:
bonds (distance) C4'-P energy: -83.795
bonds (distance) P-C4' energy: -89.330
flat angles C4'-P-C4' energy: -97.561
flat angles P-C4'-P energy: -53.664
tors. eta vs tors. theta energy: -89.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -781.459997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.459997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.459997 (E_RNA)
where:
Base-Base interactions energy: -386.203
where: short stacking energy: -247.415
Base-Backbone interact. energy: -0.736
local terms energy: -394.521000
where:
bonds (distance) C4'-P energy: -106.357
bonds (distance) P-C4' energy: -88.811
flat angles C4'-P-C4' energy: -83.289
flat angles P-C4'-P energy: -60.021
tors. eta vs tors. theta energy: -56.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -685.118597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.118597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.118597 (E_RNA)
where:
Base-Base interactions energy: -357.341
where: short stacking energy: -193.481
Base-Backbone interact. energy: -1.281
local terms energy: -326.495969
where:
bonds (distance) C4'-P energy: -76.295
bonds (distance) P-C4' energy: -90.776
flat angles C4'-P-C4' energy: -81.160
flat angles P-C4'-P energy: -52.447
tors. eta vs tors. theta energy: -25.817
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: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -540.411978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.411978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.411978 (E_RNA)
where:
Base-Base interactions energy: -223.975
where: short stacking energy: -170.294
Base-Backbone interact. energy: 0.652
local terms energy: -317.088891
where:
bonds (distance) C4'-P energy: -88.003
bonds (distance) P-C4' energy: -90.373
flat angles C4'-P-C4' energy: -69.885
flat angles P-C4'-P energy: -46.896
tors. eta vs tors. theta energy: -21.932
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: 318
Temperature: 1.200000
Total energy: -445.550140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.550140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.550140 (E_RNA)
where:
Base-Base interactions energy: -154.056
where: short stacking energy: -141.972
Base-Backbone interact. energy: -1.635
local terms energy: -289.859236
where:
bonds (distance) C4'-P energy: -75.488
bonds (distance) P-C4' energy: -90.524
flat angles C4'-P-C4' energy: -73.242
flat angles P-C4'-P energy: -33.121
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -424.165540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.165540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.165540 (E_RNA)
where:
Base-Base interactions energy: -160.725
where: short stacking energy: -142.591
Base-Backbone interact. energy: -0.620
local terms energy: -262.820196
where:
bonds (distance) C4'-P energy: -64.309
bonds (distance) P-C4' energy: -80.024
flat angles C4'-P-C4' energy: -64.994
flat angles P-C4'-P energy: -45.226
tors. eta vs tors. theta energy: -8.267
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: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -379.182618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.182618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.182618 (E_RNA)
where:
Base-Base interactions energy: -139.383
where: short stacking energy: -128.696
Base-Backbone interact. energy: 0.230
local terms energy: -240.029623
where:
bonds (distance) C4'-P energy: -73.816
bonds (distance) P-C4' energy: -83.215
flat angles C4'-P-C4' energy: -62.413
flat angles P-C4'-P energy: -30.190
tors. eta vs tors. theta energy: 9.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -351.233985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.233985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.233985 (E_RNA)
where:
Base-Base interactions energy: -113.490
where: short stacking energy: -99.252
Base-Backbone interact. energy: 5.412
local terms energy: -243.156029
where:
bonds (distance) C4'-P energy: -73.099
bonds (distance) P-C4' energy: -88.125
flat angles C4'-P-C4' energy: -52.572
flat angles P-C4'-P energy: -27.930
tors. eta vs tors. theta energy: -1.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1214.032264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.032264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.032264 (E_RNA)
where:
Base-Base interactions energy: -723.039
where: short stacking energy: -412.928
Base-Backbone interact. energy: -1.228
local terms energy: -489.765914
where:
bonds (distance) C4'-P energy: -100.470
bonds (distance) P-C4' energy: -99.319
flat angles C4'-P-C4' energy: -96.826
flat angles P-C4'-P energy: -65.653
tors. eta vs tors. theta energy: -127.497
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: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1112.096323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.096323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.096323 (E_RNA)
where:
Base-Base interactions energy: -666.292
where: short stacking energy: -379.686
Base-Backbone interact. energy: -1.102
local terms energy: -444.702371
where:
bonds (distance) C4'-P energy: -93.325
bonds (distance) P-C4' energy: -78.891
flat angles C4'-P-C4' energy: -92.492
flat angles P-C4'-P energy: -67.264
tors. eta vs tors. theta energy: -112.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -936.074412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.074412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.074412 (E_RNA)
where:
Base-Base interactions energy: -533.213
where: short stacking energy: -308.076
Base-Backbone interact. energy: -4.664
local terms energy: -398.197189
where:
bonds (distance) C4'-P energy: -80.421
bonds (distance) P-C4' energy: -98.360
flat angles C4'-P-C4' energy: -77.596
flat angles P-C4'-P energy: -57.748
tors. eta vs tors. theta energy: -84.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -751.747297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.747297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.747297 (E_RNA)
where:
Base-Base interactions energy: -398.427
where: short stacking energy: -234.971
Base-Backbone interact. energy: -1.156
local terms energy: -352.164882
where:
bonds (distance) C4'-P energy: -81.417
bonds (distance) P-C4' energy: -89.949
flat angles C4'-P-C4' energy: -74.074
flat angles P-C4'-P energy: -63.974
tors. eta vs tors. theta energy: -42.751
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: 5
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -650.436539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.436539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.436539 (E_RNA)
where:
Base-Base interactions energy: -326.876
where: short stacking energy: -207.272
Base-Backbone interact. energy: 0.510
local terms energy: -324.071161
where:
bonds (distance) C4'-P energy: -74.128
bonds (distance) P-C4' energy: -84.295
flat angles C4'-P-C4' energy: -85.147
flat angles P-C4'-P energy: -54.683
tors. eta vs tors. theta energy: -25.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -558.445082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.445082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.445082 (E_RNA)
where:
Base-Base interactions energy: -246.535
where: short stacking energy: -178.172
Base-Backbone interact. energy: -1.788
local terms energy: -310.122640
where:
bonds (distance) C4'-P energy: -80.594
bonds (distance) P-C4' energy: -69.636
flat angles C4'-P-C4' energy: -89.835
flat angles P-C4'-P energy: -51.457
tors. eta vs tors. theta energy: -18.601
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: 319
Temperature: 1.200000
Total energy: -473.557523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.557523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.557523 (E_RNA)
where:
Base-Base interactions energy: -146.077
where: short stacking energy: -129.668
Base-Backbone interact. energy: -0.771
local terms energy: -326.709673
where:
bonds (distance) C4'-P energy: -98.826
bonds (distance) P-C4' energy: -83.553
flat angles C4'-P-C4' energy: -83.464
flat angles P-C4'-P energy: -45.197
tors. eta vs tors. theta energy: -15.669
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: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -477.819049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.819049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.819049 (E_RNA)
where:
Base-Base interactions energy: -160.580
where: short stacking energy: -143.532
Base-Backbone interact. energy: -1.976
local terms energy: -315.263020
where:
bonds (distance) C4'-P energy: -78.928
bonds (distance) P-C4' energy: -81.793
flat angles C4'-P-C4' energy: -71.646
flat angles P-C4'-P energy: -47.865
tors. eta vs tors. theta energy: -35.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -405.819126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.819126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.819126 (E_RNA)
where:
Base-Base interactions energy: -163.420
where: short stacking energy: -144.632
Base-Backbone interact. energy: -1.569
local terms energy: -240.830176
where:
bonds (distance) C4'-P energy: -75.873
bonds (distance) P-C4' energy: -83.320
flat angles C4'-P-C4' energy: -63.996
flat angles P-C4'-P energy: -9.242
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: 10, replica: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -360.184149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.184149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.184149 (E_RNA)
where:
Base-Base interactions energy: -113.413
where: short stacking energy: -100.865
Base-Backbone interact. energy: -1.688
local terms energy: -245.083575
where:
bonds (distance) C4'-P energy: -84.190
bonds (distance) P-C4' energy: -92.980
flat angles C4'-P-C4' energy: -57.587
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: 0.868
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1218.016275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.016275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.016275 (E_RNA)
where:
Base-Base interactions energy: -728.996
where: short stacking energy: -408.023
Base-Backbone interact. energy: -1.548
local terms energy: -487.472532
where:
bonds (distance) C4'-P energy: -93.761
bonds (distance) P-C4' energy: -94.612
flat angles C4'-P-C4' energy: -103.082
flat angles P-C4'-P energy: -68.418
tors. eta vs tors. theta energy: -127.599
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: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1088.329332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.329332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.329332 (E_RNA)
where:
Base-Base interactions energy: -629.347
where: short stacking energy: -371.826
Base-Backbone interact. energy: 2.498
local terms energy: -461.480304
where:
bonds (distance) C4'-P energy: -88.686
bonds (distance) P-C4' energy: -94.591
flat angles C4'-P-C4' energy: -92.948
flat angles P-C4'-P energy: -70.496
tors. eta vs tors. theta energy: -114.759
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: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -912.087283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.087283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.087283 (E_RNA)
where:
Base-Base interactions energy: -502.602
where: short stacking energy: -310.549
Base-Backbone interact. energy: -0.490
local terms energy: -408.995565
where:
bonds (distance) C4'-P energy: -93.139
bonds (distance) P-C4' energy: -87.158
flat angles C4'-P-C4' energy: -94.056
flat angles P-C4'-P energy: -49.282
tors. eta vs tors. theta energy: -85.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -785.254760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.254760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.254760 (E_RNA)
where:
Base-Base interactions energy: -426.708
where: short stacking energy: -253.688
Base-Backbone interact. energy: -1.107
local terms energy: -357.440362
where:
bonds (distance) C4'-P energy: -89.550
bonds (distance) P-C4' energy: -78.520
flat angles C4'-P-C4' energy: -83.448
flat angles P-C4'-P energy: -54.539
tors. eta vs tors. theta energy: -51.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -672.721223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.721223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.721223 (E_RNA)
where:
Base-Base interactions energy: -338.591
where: short stacking energy: -227.439
Base-Backbone interact. energy: -2.648
local terms energy: -331.481896
where:
bonds (distance) C4'-P energy: -93.926
bonds (distance) P-C4' energy: -73.191
flat angles C4'-P-C4' energy: -76.317
flat angles P-C4'-P energy: -49.031
tors. eta vs tors. theta energy: -39.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -585.179292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.179292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.179292 (E_RNA)
where:
Base-Base interactions energy: -269.291
where: short stacking energy: -171.947
Base-Backbone interact. energy: -1.477
local terms energy: -314.411644
where:
bonds (distance) C4'-P energy: -96.463
bonds (distance) P-C4' energy: -73.343
flat angles C4'-P-C4' energy: -81.436
flat angles P-C4'-P energy: -46.732
tors. eta vs tors. theta energy: -16.438
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: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -489.186318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.186318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.186318 (E_RNA)
where:
Base-Base interactions energy: -177.663
where: short stacking energy: -151.277
Base-Backbone interact. energy: -1.466
local terms energy: -310.057407
where:
bonds (distance) C4'-P energy: -75.906
bonds (distance) P-C4' energy: -93.932
flat angles C4'-P-C4' energy: -86.846
flat angles P-C4'-P energy: -42.998
tors. eta vs tors. theta energy: -10.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -423.564417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.564417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.564417 (E_RNA)
where:
Base-Base interactions energy: -155.685
where: short stacking energy: -136.565
Base-Backbone interact. energy: 0.317
local terms energy: -268.196615
where:
bonds (distance) C4'-P energy: -69.164
bonds (distance) P-C4' energy: -78.835
flat angles C4'-P-C4' energy: -56.201
flat angles P-C4'-P energy: -59.199
tors. eta vs tors. theta energy: -4.797
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: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -368.893671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.893671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.893671 (E_RNA)
where:
Base-Base interactions energy: -115.811
where: short stacking energy: -101.113
Base-Backbone interact. energy: 1.054
local terms energy: -254.136421
where:
bonds (distance) C4'-P energy: -75.528
bonds (distance) P-C4' energy: -88.312
flat angles C4'-P-C4' energy: -68.620
flat angles P-C4'-P energy: -36.773
tors. eta vs tors. theta energy: 15.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -371.706093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.706093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.706093 (E_RNA)
where:
Base-Base interactions energy: -131.708
where: short stacking energy: -117.332
Base-Backbone interact. energy: 1.692
local terms energy: -241.690032
where:
bonds (distance) C4'-P energy: -76.578
bonds (distance) P-C4' energy: -60.594
flat angles C4'-P-C4' energy: -67.788
flat angles P-C4'-P energy: -37.146
tors. eta vs tors. theta energy: 0.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1212.623734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.623734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.623734 (E_RNA)
where:
Base-Base interactions energy: -739.826
where: short stacking energy: -428.326
Base-Backbone interact. energy: -1.190
local terms energy: -471.607837
where:
bonds (distance) C4'-P energy: -86.948
bonds (distance) P-C4' energy: -92.347
flat angles C4'-P-C4' energy: -105.924
flat angles P-C4'-P energy: -68.977
tors. eta vs tors. theta energy: -117.412
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: 8
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1051.692857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.692857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.692857 (E_RNA)
where:
Base-Base interactions energy: -605.403
where: short stacking energy: -363.555
Base-Backbone interact. energy: -0.522
local terms energy: -445.768336
where:
bonds (distance) C4'-P energy: -71.738
bonds (distance) P-C4' energy: -91.824
flat angles C4'-P-C4' energy: -99.195
flat angles P-C4'-P energy: -64.641
tors. eta vs tors. theta energy: -118.371
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: 3, replica: 9
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -913.884031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.884031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.884031 (E_RNA)
where:
Base-Base interactions energy: -485.566
where: short stacking energy: -286.122
Base-Backbone interact. energy: -0.652
local terms energy: -427.666810
where:
bonds (distance) C4'-P energy: -94.735
bonds (distance) P-C4' energy: -93.339
flat angles C4'-P-C4' energy: -100.085
flat angles P-C4'-P energy: -61.324
tors. eta vs tors. theta energy: -78.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -787.624590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.624590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.624590 (E_RNA)
where:
Base-Base interactions energy: -421.954
where: short stacking energy: -254.508
Base-Backbone interact. energy: 1.295
local terms energy: -366.965638
where:
bonds (distance) C4'-P energy: -77.351
bonds (distance) P-C4' energy: -85.192
flat angles C4'-P-C4' energy: -82.769
flat angles P-C4'-P energy: -59.675
tors. eta vs tors. theta energy: -61.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -701.091576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.091576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.091576 (E_RNA)
where:
Base-Base interactions energy: -339.924
where: short stacking energy: -214.724
Base-Backbone interact. energy: 0.381
local terms energy: -361.548690
where:
bonds (distance) C4'-P energy: -75.615
bonds (distance) P-C4' energy: -91.499
flat angles C4'-P-C4' energy: -91.135
flat angles P-C4'-P energy: -59.125
tors. eta vs tors. theta energy: -44.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -559.707686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.707686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.707686 (E_RNA)
where:
Base-Base interactions energy: -265.262
where: short stacking energy: -185.456
Base-Backbone interact. energy: 0.905
local terms energy: -295.351122
where:
bonds (distance) C4'-P energy: -71.830
bonds (distance) P-C4' energy: -90.210
flat angles C4'-P-C4' energy: -61.884
flat angles P-C4'-P energy: -50.666
tors. eta vs tors. theta energy: -20.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -434.035921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.035921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.035921 (E_RNA)
where:
Base-Base interactions energy: -175.551
where: short stacking energy: -139.814
Base-Backbone interact. energy: -2.530
local terms energy: -255.954892
where:
bonds (distance) C4'-P energy: -59.718
bonds (distance) P-C4' energy: -82.115
flat angles C4'-P-C4' energy: -65.711
flat angles P-C4'-P energy: -48.117
tors. eta vs tors. theta energy: -0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -426.902898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.902898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.902898 (E_RNA)
where:
Base-Base interactions energy: -161.330
where: short stacking energy: -123.707
Base-Backbone interact. energy: 0.220
local terms energy: -265.792720
where:
bonds (distance) C4'-P energy: -69.538
bonds (distance) P-C4' energy: -81.493
flat angles C4'-P-C4' energy: -79.919
flat angles P-C4'-P energy: -43.631
tors. eta vs tors. theta energy: 8.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -388.380113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.380113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.380113 (E_RNA)
where:
Base-Base interactions energy: -122.375
where: short stacking energy: -106.086
Base-Backbone interact. energy: 0.305
local terms energy: -266.309874
where:
bonds (distance) C4'-P energy: -89.544
bonds (distance) P-C4' energy: -86.161
flat angles C4'-P-C4' energy: -56.089
flat angles P-C4'-P energy: -46.381
tors. eta vs tors. theta energy: 11.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -355.071194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.071194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.071194 (E_RNA)
where:
Base-Base interactions energy: -118.944
where: short stacking energy: -108.231
Base-Backbone interact. energy: -0.863
local terms energy: -235.263821
where:
bonds (distance) C4'-P energy: -70.201
bonds (distance) P-C4' energy: -83.460
flat angles C4'-P-C4' energy: -58.396
flat angles P-C4'-P energy: -32.346
tors. eta vs tors. theta energy: 9.140
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1223.142378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.142378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.142378 (E_RNA)
where:
Base-Base interactions energy: -736.847
where: short stacking energy: -443.776
Base-Backbone interact. energy: -1.374
local terms energy: -484.920737
where:
bonds (distance) C4'-P energy: -88.991
bonds (distance) P-C4' energy: -94.270
flat angles C4'-P-C4' energy: -101.620
flat angles P-C4'-P energy: -73.368
tors. eta vs tors. theta energy: -126.672
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: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1038.303254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.303254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.303254 (E_RNA)
where:
Base-Base interactions energy: -605.208
where: short stacking energy: -372.088
Base-Backbone interact. energy: -0.755
local terms energy: -432.340188
where:
bonds (distance) C4'-P energy: -84.881
bonds (distance) P-C4' energy: -96.282
flat angles C4'-P-C4' energy: -101.006
flat angles P-C4'-P energy: -55.772
tors. eta vs tors. theta energy: -94.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -937.174167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.174167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.174167 (E_RNA)
where:
Base-Base interactions energy: -547.083
where: short stacking energy: -346.581
Base-Backbone interact. energy: -0.448
local terms energy: -389.643186
where:
bonds (distance) C4'-P energy: -82.395
bonds (distance) P-C4' energy: -72.334
flat angles C4'-P-C4' energy: -96.528
flat angles P-C4'-P energy: -40.552
tors. eta vs tors. theta energy: -97.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -799.513066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.513066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.513066 (E_RNA)
where:
Base-Base interactions energy: -440.977
where: short stacking energy: -264.730
Base-Backbone interact. energy: -2.205
local terms energy: -356.331637
where:
bonds (distance) C4'-P energy: -79.777
bonds (distance) P-C4' energy: -91.617
flat angles C4'-P-C4' energy: -78.626
flat angles P-C4'-P energy: -54.636
tors. eta vs tors. theta energy: -51.676
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: 5
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -667.476579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.476579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.476579 (E_RNA)
where:
Base-Base interactions energy: -323.038
where: short stacking energy: -222.026
Base-Backbone interact. energy: -0.867
local terms energy: -343.571435
where:
bonds (distance) C4'-P energy: -75.603
bonds (distance) P-C4' energy: -93.953
flat angles C4'-P-C4' energy: -91.523
flat angles P-C4'-P energy: -55.006
tors. eta vs tors. theta energy: -27.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -558.630104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.630104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.630104 (E_RNA)
where:
Base-Base interactions energy: -239.300
where: short stacking energy: -166.530
Base-Backbone interact. energy: -1.546
local terms energy: -317.783665
where:
bonds (distance) C4'-P energy: -70.428
bonds (distance) P-C4' energy: -85.802
flat angles C4'-P-C4' energy: -80.549
flat angles P-C4'-P energy: -69.667
tors. eta vs tors. theta energy: -11.337
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: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -481.851845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.851845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.851845 (E_RNA)
where:
Base-Base interactions energy: -197.304
where: short stacking energy: -142.762
Base-Backbone interact. energy: 0.018
local terms energy: -284.566298
where:
bonds (distance) C4'-P energy: -76.903
bonds (distance) P-C4' energy: -89.555
flat angles C4'-P-C4' energy: -65.978
flat angles P-C4'-P energy: -48.562
tors. eta vs tors. theta energy: -3.569
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: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -417.420785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.420785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.420785 (E_RNA)
where:
Base-Base interactions energy: -143.863
where: short stacking energy: -112.349
Base-Backbone interact. energy: 1.676
local terms energy: -275.234156
where:
bonds (distance) C4'-P energy: -72.196
bonds (distance) P-C4' energy: -93.040
flat angles C4'-P-C4' energy: -68.872
flat angles P-C4'-P energy: -44.098
tors. eta vs tors. theta energy: 2.971
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: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -388.941772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.941772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.941772 (E_RNA)
where:
Base-Base interactions energy: -128.514
where: short stacking energy: -117.176
Base-Backbone interact. energy: 2.769
local terms energy: -263.196650
where:
bonds (distance) C4'-P energy: -73.114
bonds (distance) P-C4' energy: -93.796
flat angles C4'-P-C4' energy: -57.673
flat angles P-C4'-P energy: -46.048
tors. eta vs tors. theta energy: 7.435
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: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -350.137942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.137942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.137942 (E_RNA)
where:
Base-Base interactions energy: -119.085
where: short stacking energy: -96.918
Base-Backbone interact. energy: -1.870
local terms energy: -229.182235
where:
bonds (distance) C4'-P energy: -68.082
bonds (distance) P-C4' energy: -85.980
flat angles C4'-P-C4' energy: -52.540
flat angles P-C4'-P energy: -38.069
tors. eta vs tors. theta energy: 15.488
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1234.173177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.173177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.173177 (E_RNA)
where:
Base-Base interactions energy: -737.689
where: short stacking energy: -431.217
Base-Backbone interact. energy: -0.940
local terms energy: -495.544248
where:
bonds (distance) C4'-P energy: -87.103
bonds (distance) P-C4' energy: -101.766
flat angles C4'-P-C4' energy: -100.493
flat angles P-C4'-P energy: -79.358
tors. eta vs tors. theta energy: -126.824
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: 8
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1047.939330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.939330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.939330 (E_RNA)
where:
Base-Base interactions energy: -586.968
where: short stacking energy: -372.348
Base-Backbone interact. energy: -0.152
local terms energy: -460.819243
where:
bonds (distance) C4'-P energy: -87.899
bonds (distance) P-C4' energy: -102.037
flat angles C4'-P-C4' energy: -94.229
flat angles P-C4'-P energy: -68.583
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: 9
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -906.304136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.304136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.304136 (E_RNA)
where:
Base-Base interactions energy: -491.263
where: short stacking energy: -311.558
Base-Backbone interact. energy: 0.706
local terms energy: -415.747279
where:
bonds (distance) C4'-P energy: -88.056
bonds (distance) P-C4' energy: -102.555
flat angles C4'-P-C4' energy: -89.810
flat angles P-C4'-P energy: -46.849
tors. eta vs tors. theta energy: -88.478
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: 323
Temperature: 1.050000
Total energy: -799.738818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.738818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.738818 (E_RNA)
where:
Base-Base interactions energy: -427.093
where: short stacking energy: -260.551
Base-Backbone interact. energy: -1.001
local terms energy: -371.645220
where:
bonds (distance) C4'-P energy: -83.030
bonds (distance) P-C4' energy: -90.405
flat angles C4'-P-C4' energy: -97.053
flat angles P-C4'-P energy: -52.266
tors. eta vs tors. theta energy: -48.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -695.265664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.265664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.265664 (E_RNA)
where:
Base-Base interactions energy: -329.552
where: short stacking energy: -208.312
Base-Backbone interact. energy: -1.119
local terms energy: -364.595398
where:
bonds (distance) C4'-P energy: -90.990
bonds (distance) P-C4' energy: -91.138
flat angles C4'-P-C4' energy: -87.528
flat angles P-C4'-P energy: -44.346
tors. eta vs tors. theta energy: -50.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -559.348188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.348188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.348188 (E_RNA)
where:
Base-Base interactions energy: -221.852
where: short stacking energy: -162.458
Base-Backbone interact. energy: 7.005
local terms energy: -344.501031
where:
bonds (distance) C4'-P energy: -77.039
bonds (distance) P-C4' energy: -101.399
flat angles C4'-P-C4' energy: -89.642
flat angles P-C4'-P energy: -59.710
tors. eta vs tors. theta energy: -16.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -507.242721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.242721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.242721 (E_RNA)
where:
Base-Base interactions energy: -207.218
where: short stacking energy: -164.450
Base-Backbone interact. energy: -1.003
local terms energy: -299.021083
where:
bonds (distance) C4'-P energy: -81.125
bonds (distance) P-C4' energy: -88.057
flat angles C4'-P-C4' energy: -71.413
flat angles P-C4'-P energy: -46.234
tors. eta vs tors. theta energy: -12.193
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: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -421.930023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.930023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.930023 (E_RNA)
where:
Base-Base interactions energy: -140.143
where: short stacking energy: -132.842
Base-Backbone interact. energy: 0.467
local terms energy: -282.254453
where:
bonds (distance) C4'-P energy: -83.185
bonds (distance) P-C4' energy: -75.592
flat angles C4'-P-C4' energy: -65.257
flat angles P-C4'-P energy: -55.779
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -390.798016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.798016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.798016 (E_RNA)
where:
Base-Base interactions energy: -139.845
where: short stacking energy: -125.538
Base-Backbone interact. energy: 2.358
local terms energy: -253.311341
where:
bonds (distance) C4'-P energy: -79.764
bonds (distance) P-C4' energy: -70.730
flat angles C4'-P-C4' energy: -77.599
flat angles P-C4'-P energy: -28.927
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: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -360.577781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.577781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.577781 (E_RNA)
where:
Base-Base interactions energy: -116.334
where: short stacking energy: -97.273
Base-Backbone interact. energy: 0.455
local terms energy: -244.698410
where:
bonds (distance) C4'-P energy: -84.107
bonds (distance) P-C4' energy: -72.386
flat angles C4'-P-C4' energy: -65.069
flat angles P-C4'-P energy: -32.850
tors. eta vs tors. theta energy: 9.714
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1244.317144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.317144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.317144 (E_RNA)
where:
Base-Base interactions energy: -762.017
where: short stacking energy: -443.132
Base-Backbone interact. energy: -0.885
local terms energy: -481.415894
where:
bonds (distance) C4'-P energy: -88.008
bonds (distance) P-C4' energy: -83.911
flat angles C4'-P-C4' energy: -108.746
flat angles P-C4'-P energy: -73.967
tors. eta vs tors. theta energy: -126.784
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: 8
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1037.674251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.674251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.674251 (E_RNA)
where:
Base-Base interactions energy: -593.709
where: short stacking energy: -371.796
Base-Backbone interact. energy: -0.600
local terms energy: -443.365798
where:
bonds (distance) C4'-P energy: -78.182
bonds (distance) P-C4' energy: -83.434
flat angles C4'-P-C4' energy: -106.005
flat angles P-C4'-P energy: -71.183
tors. eta vs tors. theta energy: -104.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -934.223488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.223488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.223488 (E_RNA)
where:
Base-Base interactions energy: -485.890
where: short stacking energy: -330.894
Base-Backbone interact. energy: -0.146
local terms energy: -448.187314
where:
bonds (distance) C4'-P energy: -87.569
bonds (distance) P-C4' energy: -102.468
flat angles C4'-P-C4' energy: -101.707
flat angles P-C4'-P energy: -65.357
tors. eta vs tors. theta energy: -91.087
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: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -813.652995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.652995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.652995 (E_RNA)
where:
Base-Base interactions energy: -428.124
where: short stacking energy: -244.332
Base-Backbone interact. energy: -0.455
local terms energy: -385.073890
where:
bonds (distance) C4'-P energy: -79.863
bonds (distance) P-C4' energy: -105.931
flat angles C4'-P-C4' energy: -91.402
flat angles P-C4'-P energy: -62.929
tors. eta vs tors. theta energy: -44.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -663.416155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.416155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.416155 (E_RNA)
where:
Base-Base interactions energy: -316.897
where: short stacking energy: -213.098
Base-Backbone interact. energy: -0.650
local terms energy: -345.868876
where:
bonds (distance) C4'-P energy: -72.633
bonds (distance) P-C4' energy: -96.716
flat angles C4'-P-C4' energy: -91.894
flat angles P-C4'-P energy: -38.723
tors. eta vs tors. theta energy: -45.904
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: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -605.595262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.595262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.595262 (E_RNA)
where:
Base-Base interactions energy: -294.047
where: short stacking energy: -182.267
Base-Backbone interact. energy: -0.593
local terms energy: -310.955227
where:
bonds (distance) C4'-P energy: -76.446
bonds (distance) P-C4' energy: -80.297
flat angles C4'-P-C4' energy: -83.019
flat angles P-C4'-P energy: -52.400
tors. eta vs tors. theta energy: -18.793
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: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -513.716425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.716425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.716425 (E_RNA)
where:
Base-Base interactions energy: -222.153
where: short stacking energy: -167.384
Base-Backbone interact. energy: 1.294
local terms energy: -292.857547
where:
bonds (distance) C4'-P energy: -90.671
bonds (distance) P-C4' energy: -78.931
flat angles C4'-P-C4' energy: -58.206
flat angles P-C4'-P energy: -42.259
tors. eta vs tors. theta energy: -22.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -427.952377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.952377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.952377 (E_RNA)
where:
Base-Base interactions energy: -144.141
where: short stacking energy: -131.447
Base-Backbone interact. energy: 7.042
local terms energy: -290.854062
where:
bonds (distance) C4'-P energy: -71.788
bonds (distance) P-C4' energy: -80.946
flat angles C4'-P-C4' energy: -80.977
flat angles P-C4'-P energy: -53.256
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -367.182501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.182501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.182501 (E_RNA)
where:
Base-Base interactions energy: -131.335
where: short stacking energy: -114.884
Base-Backbone interact. energy: -2.342
local terms energy: -233.504970
where:
bonds (distance) C4'-P energy: -73.399
bonds (distance) P-C4' energy: -95.787
flat angles C4'-P-C4' energy: -51.763
flat angles P-C4'-P energy: -32.248
tors. eta vs tors. theta energy: 19.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -360.359707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.359707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.359707 (E_RNA)
where:
Base-Base interactions energy: -104.574
where: short stacking energy: -85.425
Base-Backbone interact. energy: -2.617
local terms energy: -253.167900
where:
bonds (distance) C4'-P energy: -70.547
bonds (distance) P-C4' energy: -67.365
flat angles C4'-P-C4' energy: -66.376
flat angles P-C4'-P energy: -45.230
tors. eta vs tors. theta energy: -3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1211.792319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.792319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.792319 (E_RNA)
where:
Base-Base interactions energy: -730.623
where: short stacking energy: -397.985
Base-Backbone interact. energy: -1.897
local terms energy: -479.272370
where:
bonds (distance) C4'-P energy: -94.800
bonds (distance) P-C4' energy: -95.646
flat angles C4'-P-C4' energy: -91.873
flat angles P-C4'-P energy: -78.400
tors. eta vs tors. theta energy: -118.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1098.185397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.185397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.185397 (E_RNA)
where:
Base-Base interactions energy: -648.430
where: short stacking energy: -403.912
Base-Backbone interact. energy: 1.026
local terms energy: -450.781483
where:
bonds (distance) C4'-P energy: -97.246
bonds (distance) P-C4' energy: -75.391
flat angles C4'-P-C4' energy: -99.264
flat angles P-C4'-P energy: -67.224
tors. eta vs tors. theta energy: -111.657
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: 3, replica: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -947.545640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.545640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.545640 (E_RNA)
where:
Base-Base interactions energy: -523.299
where: short stacking energy: -323.623
Base-Backbone interact. energy: -1.587
local terms energy: -422.660245
where:
bonds (distance) C4'-P energy: -93.372
bonds (distance) P-C4' energy: -97.722
flat angles C4'-P-C4' energy: -94.187
flat angles P-C4'-P energy: -50.122
tors. eta vs tors. theta energy: -87.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -815.529269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.529269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.529269 (E_RNA)
where:
Base-Base interactions energy: -435.202
where: short stacking energy: -242.101
Base-Backbone interact. energy: 0.028
local terms energy: -380.354790
where:
bonds (distance) C4'-P energy: -82.580
bonds (distance) P-C4' energy: -87.657
flat angles C4'-P-C4' energy: -82.227
flat angles P-C4'-P energy: -63.409
tors. eta vs tors. theta energy: -64.482
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: 5, replica: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -687.288810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.288810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.288810 (E_RNA)
where:
Base-Base interactions energy: -324.456
where: short stacking energy: -224.414
Base-Backbone interact. energy: 0.457
local terms energy: -363.289897
where:
bonds (distance) C4'-P energy: -93.955
bonds (distance) P-C4' energy: -93.218
flat angles C4'-P-C4' energy: -84.089
flat angles P-C4'-P energy: -43.127
tors. eta vs tors. theta energy: -48.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -608.585601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.585601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.585601 (E_RNA)
where:
Base-Base interactions energy: -296.531
where: short stacking energy: -202.196
Base-Backbone interact. energy: -2.116
local terms energy: -309.937916
where:
bonds (distance) C4'-P energy: -82.274
bonds (distance) P-C4' energy: -98.129
flat angles C4'-P-C4' energy: -71.619
flat angles P-C4'-P energy: -40.335
tors. eta vs tors. theta energy: -17.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -518.189786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.189786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.189786 (E_RNA)
where:
Base-Base interactions energy: -207.353
where: short stacking energy: -157.986
Base-Backbone interact. energy: 2.459
local terms energy: -313.295298
where:
bonds (distance) C4'-P energy: -86.719
bonds (distance) P-C4' energy: -82.091
flat angles C4'-P-C4' energy: -74.127
flat angles P-C4'-P energy: -46.448
tors. eta vs tors. theta energy: -23.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -406.657995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.657995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.657995 (E_RNA)
where:
Base-Base interactions energy: -144.534
where: short stacking energy: -137.275
Base-Backbone interact. energy: 2.298
local terms energy: -264.421506
where:
bonds (distance) C4'-P energy: -60.992
bonds (distance) P-C4' energy: -75.723
flat angles C4'-P-C4' energy: -73.079
flat angles P-C4'-P energy: -45.009
tors. eta vs tors. theta energy: -9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -363.550009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.550009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.550009 (E_RNA)
where:
Base-Base interactions energy: -129.124
where: short stacking energy: -79.138
Base-Backbone interact. energy: 6.867
local terms energy: -241.292439
where:
bonds (distance) C4'-P energy: -78.301
bonds (distance) P-C4' energy: -90.485
flat angles C4'-P-C4' energy: -65.382
flat angles P-C4'-P energy: -33.761
tors. eta vs tors. theta energy: 26.637
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: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -342.453468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.453468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.453468 (E_RNA)
where:
Base-Base interactions energy: -85.827
where: short stacking energy: -77.320
Base-Backbone interact. energy: -0.256
local terms energy: -256.370960
where:
bonds (distance) C4'-P energy: -82.081
bonds (distance) P-C4' energy: -87.522
flat angles C4'-P-C4' energy: -66.671
flat angles P-C4'-P energy: -44.296
tors. eta vs tors. theta energy: 24.199
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1238.637921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.637921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.637921 (E_RNA)
where:
Base-Base interactions energy: -730.597
where: short stacking energy: -440.943
Base-Backbone interact. energy: 0.165
local terms energy: -508.205023
where:
bonds (distance) C4'-P energy: -94.325
bonds (distance) P-C4' energy: -98.976
flat angles C4'-P-C4' energy: -105.207
flat angles P-C4'-P energy: -77.460
tors. eta vs tors. theta energy: -132.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1118.310333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.310333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.310333 (E_RNA)
where:
Base-Base interactions energy: -648.001
where: short stacking energy: -385.760
Base-Backbone interact. energy: 0.686
local terms energy: -470.995341
where:
bonds (distance) C4'-P energy: -97.054
bonds (distance) P-C4' energy: -94.582
flat angles C4'-P-C4' energy: -93.522
flat angles P-C4'-P energy: -62.595
tors. eta vs tors. theta energy: -123.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -915.648479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.648479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.648479 (E_RNA)
where:
Base-Base interactions energy: -509.279
where: short stacking energy: -318.835
Base-Backbone interact. energy: -0.581
local terms energy: -405.787982
where:
bonds (distance) C4'-P energy: -82.716
bonds (distance) P-C4' energy: -86.727
flat angles C4'-P-C4' energy: -90.250
flat angles P-C4'-P energy: -62.503
tors. eta vs tors. theta energy: -83.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -791.742096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.742096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.742096 (E_RNA)
where:
Base-Base interactions energy: -425.512
where: short stacking energy: -253.440
Base-Backbone interact. energy: 3.468
local terms energy: -369.698321
where:
bonds (distance) C4'-P energy: -80.695
bonds (distance) P-C4' energy: -87.272
flat angles C4'-P-C4' energy: -88.122
flat angles P-C4'-P energy: -58.606
tors. eta vs tors. theta energy: -55.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -684.138683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.138683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.138683 (E_RNA)
where:
Base-Base interactions energy: -342.674
where: short stacking energy: -216.900
Base-Backbone interact. energy: -2.463
local terms energy: -339.001944
where:
bonds (distance) C4'-P energy: -81.351
bonds (distance) P-C4' energy: -80.017
flat angles C4'-P-C4' energy: -82.430
flat angles P-C4'-P energy: -54.921
tors. eta vs tors. theta energy: -40.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -648.148933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.148933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.148933 (E_RNA)
where:
Base-Base interactions energy: -280.561
where: short stacking energy: -184.870
Base-Backbone interact. energy: 0.947
local terms energy: -368.534982
where:
bonds (distance) C4'-P energy: -85.146
bonds (distance) P-C4' energy: -95.166
flat angles C4'-P-C4' energy: -89.332
flat angles P-C4'-P energy: -63.693
tors. eta vs tors. theta energy: -35.199
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: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -534.544766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.544766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.544766 (E_RNA)
where:
Base-Base interactions energy: -230.805
where: short stacking energy: -173.403
Base-Backbone interact. energy: -0.828
local terms energy: -302.911220
where:
bonds (distance) C4'-P energy: -92.117
bonds (distance) P-C4' energy: -90.279
flat angles C4'-P-C4' energy: -61.490
flat angles P-C4'-P energy: -47.024
tors. eta vs tors. theta energy: -12.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -397.660570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.660570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.660570 (E_RNA)
where:
Base-Base interactions energy: -140.004
where: short stacking energy: -123.476
Base-Backbone interact. energy: -0.852
local terms energy: -256.804254
where:
bonds (distance) C4'-P energy: -73.194
bonds (distance) P-C4' energy: -85.246
flat angles C4'-P-C4' energy: -79.221
flat angles P-C4'-P energy: -34.716
tors. eta vs tors. theta energy: 15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -394.137416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.137416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.137416 (E_RNA)
where:
Base-Base interactions energy: -129.830
where: short stacking energy: -105.186
Base-Backbone interact. energy: 2.510
local terms energy: -266.817329
where:
bonds (distance) C4'-P energy: -66.085
bonds (distance) P-C4' energy: -87.684
flat angles C4'-P-C4' energy: -83.895
flat angles P-C4'-P energy: -36.172
tors. eta vs tors. theta energy: 7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -352.114792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.114792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.114792 (E_RNA)
where:
Base-Base interactions energy: -120.002
where: short stacking energy: -92.692
Base-Backbone interact. energy: 0.221
local terms energy: -232.334281
where:
bonds (distance) C4'-P energy: -77.227
bonds (distance) P-C4' energy: -79.391
flat angles C4'-P-C4' energy: -61.213
flat angles P-C4'-P energy: -28.477
tors. eta vs tors. theta energy: 13.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1229.022882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.022882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.022882 (E_RNA)
where:
Base-Base interactions energy: -729.520
where: short stacking energy: -431.538
Base-Backbone interact. energy: -1.141
local terms energy: -498.361778
where:
bonds (distance) C4'-P energy: -84.321
bonds (distance) P-C4' energy: -104.994
flat angles C4'-P-C4' energy: -106.432
flat angles P-C4'-P energy: -72.693
tors. eta vs tors. theta energy: -129.922
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: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1120.696608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.696608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.696608 (E_RNA)
where:
Base-Base interactions energy: -652.676
where: short stacking energy: -386.944
Base-Backbone interact. energy: -0.796
local terms energy: -467.224643
where:
bonds (distance) C4'-P energy: -98.202
bonds (distance) P-C4' energy: -92.904
flat angles C4'-P-C4' energy: -106.501
flat angles P-C4'-P energy: -61.951
tors. eta vs tors. theta energy: -107.666
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: 9
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -936.300115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.300115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.300115 (E_RNA)
where:
Base-Base interactions energy: -520.450
where: short stacking energy: -311.683
Base-Backbone interact. energy: -1.550
local terms energy: -414.299258
where:
bonds (distance) C4'-P energy: -90.116
bonds (distance) P-C4' energy: -101.001
flat angles C4'-P-C4' energy: -90.444
flat angles P-C4'-P energy: -51.638
tors. eta vs tors. theta energy: -81.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -809.724317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.724317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.724317 (E_RNA)
where:
Base-Base interactions energy: -447.055
where: short stacking energy: -295.940
Base-Backbone interact. energy: -0.361
local terms energy: -362.308170
where:
bonds (distance) C4'-P energy: -76.142
bonds (distance) P-C4' energy: -77.034
flat angles C4'-P-C4' energy: -96.172
flat angles P-C4'-P energy: -39.879
tors. eta vs tors. theta energy: -73.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -658.957444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.957444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.957444 (E_RNA)
where:
Base-Base interactions energy: -316.956
where: short stacking energy: -205.702
Base-Backbone interact. energy: -2.219
local terms energy: -339.782363
where:
bonds (distance) C4'-P energy: -81.840
bonds (distance) P-C4' energy: -98.708
flat angles C4'-P-C4' energy: -81.904
flat angles P-C4'-P energy: -50.293
tors. eta vs tors. theta energy: -27.038
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: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -632.310711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.310711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.310711 (E_RNA)
where:
Base-Base interactions energy: -300.697
where: short stacking energy: -213.796
Base-Backbone interact. energy: -2.067
local terms energy: -329.546954
where:
bonds (distance) C4'-P energy: -93.816
bonds (distance) P-C4' energy: -79.462
flat angles C4'-P-C4' energy: -70.561
flat angles P-C4'-P energy: -59.913
tors. eta vs tors. theta energy: -25.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -484.044633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.044633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.044633 (E_RNA)
where:
Base-Base interactions energy: -186.543
where: short stacking energy: -144.980
Base-Backbone interact. energy: -1.609
local terms energy: -295.892613
where:
bonds (distance) C4'-P energy: -79.141
bonds (distance) P-C4' energy: -84.334
flat angles C4'-P-C4' energy: -71.593
flat angles P-C4'-P energy: -36.116
tors. eta vs tors. theta energy: -24.709
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: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -402.608761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.608761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.608761 (E_RNA)
where:
Base-Base interactions energy: -116.472
where: short stacking energy: -104.476
Base-Backbone interact. energy: -1.390
local terms energy: -284.746628
where:
bonds (distance) C4'-P energy: -90.383
bonds (distance) P-C4' energy: -81.877
flat angles C4'-P-C4' energy: -64.741
flat angles P-C4'-P energy: -52.504
tors. eta vs tors. theta energy: 4.758
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: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -366.423704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.423704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.423704 (E_RNA)
where:
Base-Base interactions energy: -114.610
where: short stacking energy: -93.702
Base-Backbone interact. energy: -1.778
local terms energy: -250.036132
where:
bonds (distance) C4'-P energy: -74.106
bonds (distance) P-C4' energy: -78.155
flat angles C4'-P-C4' energy: -63.198
flat angles P-C4'-P energy: -47.750
tors. eta vs tors. theta energy: 13.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -342.909224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.909224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.909224 (E_RNA)
where:
Base-Base interactions energy: -122.480
where: short stacking energy: -90.373
Base-Backbone interact. energy: 1.096
local terms energy: -221.524505
where:
bonds (distance) C4'-P energy: -80.160
bonds (distance) P-C4' energy: -65.433
flat angles C4'-P-C4' energy: -66.488
flat angles P-C4'-P energy: -35.713
tors. eta vs tors. theta energy: 26.269
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1246.806730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.806730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.806730 (E_RNA)
where:
Base-Base interactions energy: -766.315
where: short stacking energy: -448.131
Base-Backbone interact. energy: -0.449
local terms energy: -480.042984
where:
bonds (distance) C4'-P energy: -89.879
bonds (distance) P-C4' energy: -96.324
flat angles C4'-P-C4' energy: -99.985
flat angles P-C4'-P energy: -67.675
tors. eta vs tors. theta energy: -126.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1134.432707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.432707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.432707 (E_RNA)
where:
Base-Base interactions energy: -669.326
where: short stacking energy: -412.101
Base-Backbone interact. energy: -0.502
local terms energy: -464.605177
where:
bonds (distance) C4'-P energy: -76.769
bonds (distance) P-C4' energy: -92.574
flat angles C4'-P-C4' energy: -103.526
flat angles P-C4'-P energy: -60.800
tors. eta vs tors. theta energy: -130.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -932.783385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.783385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.783385 (E_RNA)
where:
Base-Base interactions energy: -532.327
where: short stacking energy: -313.183
Base-Backbone interact. energy: -1.017
local terms energy: -399.439649
where:
bonds (distance) C4'-P energy: -85.037
bonds (distance) P-C4' energy: -86.858
flat angles C4'-P-C4' energy: -97.139
flat angles P-C4'-P energy: -60.238
tors. eta vs tors. theta energy: -70.167
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: 328
Temperature: 1.050000
Total energy: -822.857536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.857536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.857536 (E_RNA)
where:
Base-Base interactions energy: -434.549
where: short stacking energy: -267.285
Base-Backbone interact. energy: -1.702
local terms energy: -386.606151
where:
bonds (distance) C4'-P energy: -81.785
bonds (distance) P-C4' energy: -85.255
flat angles C4'-P-C4' energy: -98.039
flat angles P-C4'-P energy: -57.561
tors. eta vs tors. theta energy: -63.965
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: 328
Temperature: 1.100000
Total energy: -674.736799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.736799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.736799 (E_RNA)
where:
Base-Base interactions energy: -333.922
where: short stacking energy: -230.735
Base-Backbone interact. energy: 3.266
local terms energy: -344.080392
where:
bonds (distance) C4'-P energy: -70.310
bonds (distance) P-C4' energy: -95.491
flat angles C4'-P-C4' energy: -78.103
flat angles P-C4'-P energy: -51.598
tors. eta vs tors. theta energy: -48.578
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: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -624.326141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.326141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.326141 (E_RNA)
where:
Base-Base interactions energy: -300.049
where: short stacking energy: -193.520
Base-Backbone interact. energy: -0.947
local terms energy: -323.329555
where:
bonds (distance) C4'-P energy: -73.132
bonds (distance) P-C4' energy: -80.584
flat angles C4'-P-C4' energy: -73.731
flat angles P-C4'-P energy: -60.290
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: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -536.385864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.385864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.385864 (E_RNA)
where:
Base-Base interactions energy: -244.535
where: short stacking energy: -169.888
Base-Backbone interact. energy: 4.790
local terms energy: -296.640477
where:
bonds (distance) C4'-P energy: -80.457
bonds (distance) P-C4' energy: -88.268
flat angles C4'-P-C4' energy: -67.501
flat angles P-C4'-P energy: -38.053
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -423.368907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.368907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.368907 (E_RNA)
where:
Base-Base interactions energy: -161.706
where: short stacking energy: -133.736
Base-Backbone interact. energy: 0.974
local terms energy: -262.636390
where:
bonds (distance) C4'-P energy: -76.444
bonds (distance) P-C4' energy: -77.444
flat angles C4'-P-C4' energy: -60.907
flat angles P-C4'-P energy: -39.046
tors. eta vs tors. theta energy: -8.796
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: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -399.017482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.017482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.017482 (E_RNA)
where:
Base-Base interactions energy: -127.203
where: short stacking energy: -111.424
Base-Backbone interact. energy: 1.411
local terms energy: -273.225784
where:
bonds (distance) C4'-P energy: -91.330
bonds (distance) P-C4' energy: -87.538
flat angles C4'-P-C4' energy: -68.646
flat angles P-C4'-P energy: -38.562
tors. eta vs tors. theta energy: 12.850
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: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -343.700183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.700183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.700183 (E_RNA)
where:
Base-Base interactions energy: -125.410
where: short stacking energy: -83.611
Base-Backbone interact. energy: -2.386
local terms energy: -215.904175
where:
bonds (distance) C4'-P energy: -65.179
bonds (distance) P-C4' energy: -80.773
flat angles C4'-P-C4' energy: -53.858
flat angles P-C4'-P energy: -45.350
tors. eta vs tors. theta energy: 29.256
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1190.700707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.700707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.700707 (E_RNA)
where:
Base-Base interactions energy: -721.275
where: short stacking energy: -422.039
Base-Backbone interact. energy: -0.575
local terms energy: -468.850387
where:
bonds (distance) C4'-P energy: -87.902
bonds (distance) P-C4' energy: -85.917
flat angles C4'-P-C4' energy: -103.088
flat angles P-C4'-P energy: -72.735
tors. eta vs tors. theta energy: -119.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1121.627327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.627327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.627327 (E_RNA)
where:
Base-Base interactions energy: -667.407
where: short stacking energy: -396.323
Base-Backbone interact. energy: -0.487
local terms energy: -453.733087
where:
bonds (distance) C4'-P energy: -76.728
bonds (distance) P-C4' energy: -88.139
flat angles C4'-P-C4' energy: -105.997
flat angles P-C4'-P energy: -65.224
tors. eta vs tors. theta energy: -117.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -936.807009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.807009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.807009 (E_RNA)
where:
Base-Base interactions energy: -519.792
where: short stacking energy: -292.636
Base-Backbone interact. energy: -1.600
local terms energy: -415.415429
where:
bonds (distance) C4'-P energy: -83.240
bonds (distance) P-C4' energy: -92.098
flat angles C4'-P-C4' energy: -92.633
flat angles P-C4'-P energy: -70.455
tors. eta vs tors. theta energy: -76.990
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: 329
Temperature: 1.050000
Total energy: -846.590676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.590676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.590676 (E_RNA)
where:
Base-Base interactions energy: -478.107
where: short stacking energy: -293.739
Base-Backbone interact. energy: -2.921
local terms energy: -365.562841
where:
bonds (distance) C4'-P energy: -81.128
bonds (distance) P-C4' energy: -83.713
flat angles C4'-P-C4' energy: -88.107
flat angles P-C4'-P energy: -54.329
tors. eta vs tors. theta energy: -58.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -698.719984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.719984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.719984 (E_RNA)
where:
Base-Base interactions energy: -348.552
where: short stacking energy: -233.043
Base-Backbone interact. energy: 0.658
local terms energy: -350.826653
where:
bonds (distance) C4'-P energy: -83.215
bonds (distance) P-C4' energy: -91.572
flat angles C4'-P-C4' energy: -74.564
flat angles P-C4'-P energy: -54.934
tors. eta vs tors. theta energy: -46.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -655.870802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.870802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.870802 (E_RNA)
where:
Base-Base interactions energy: -336.806
where: short stacking energy: -216.046
Base-Backbone interact. energy: -0.358
local terms energy: -318.706056
where:
bonds (distance) C4'-P energy: -75.269
bonds (distance) P-C4' energy: -79.781
flat angles C4'-P-C4' energy: -73.798
flat angles P-C4'-P energy: -53.094
tors. eta vs tors. theta energy: -36.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -539.557178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.557178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.557178 (E_RNA)
where:
Base-Base interactions energy: -234.084
where: short stacking energy: -174.110
Base-Backbone interact. energy: 4.273
local terms energy: -309.746601
where:
bonds (distance) C4'-P energy: -77.311
bonds (distance) P-C4' energy: -89.211
flat angles C4'-P-C4' energy: -74.997
flat angles P-C4'-P energy: -48.231
tors. eta vs tors. theta energy: -19.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -402.146713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.146713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.146713 (E_RNA)
where:
Base-Base interactions energy: -130.636
where: short stacking energy: -123.469
Base-Backbone interact. energy: -1.045
local terms energy: -270.466212
where:
bonds (distance) C4'-P energy: -64.480
bonds (distance) P-C4' energy: -89.487
flat angles C4'-P-C4' energy: -68.391
flat angles P-C4'-P energy: -39.198
tors. eta vs tors. theta energy: -8.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -391.886743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.886743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.886743 (E_RNA)
where:
Base-Base interactions energy: -116.171
where: short stacking energy: -104.915
Base-Backbone interact. energy: 0.700
local terms energy: -276.416244
where:
bonds (distance) C4'-P energy: -78.923
bonds (distance) P-C4' energy: -87.274
flat angles C4'-P-C4' energy: -75.320
flat angles P-C4'-P energy: -46.808
tors. eta vs tors. theta energy: 11.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -354.531801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.531801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.531801 (E_RNA)
where:
Base-Base interactions energy: -114.399
where: short stacking energy: -107.843
Base-Backbone interact. energy: 0.997
local terms energy: -241.129679
where:
bonds (distance) C4'-P energy: -75.189
bonds (distance) P-C4' energy: -73.969
flat angles C4'-P-C4' energy: -72.781
flat angles P-C4'-P energy: -22.024
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1183.817955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.817955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.817955 (E_RNA)
where:
Base-Base interactions energy: -705.327
where: short stacking energy: -422.580
Base-Backbone interact. energy: 0.091
local terms energy: -478.581956
where:
bonds (distance) C4'-P energy: -80.756
bonds (distance) P-C4' energy: -100.714
flat angles C4'-P-C4' energy: -107.552
flat angles P-C4'-P energy: -65.358
tors. eta vs tors. theta energy: -124.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1111.743017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.743017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.743017 (E_RNA)
where:
Base-Base interactions energy: -650.016
where: short stacking energy: -388.993
Base-Backbone interact. energy: -3.235
local terms energy: -458.492687
where:
bonds (distance) C4'-P energy: -86.943
bonds (distance) P-C4' energy: -90.823
flat angles C4'-P-C4' energy: -105.454
flat angles P-C4'-P energy: -65.532
tors. eta vs tors. theta energy: -109.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -916.732484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.732484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.732484 (E_RNA)
where:
Base-Base interactions energy: -534.797
where: short stacking energy: -327.411
Base-Backbone interact. energy: -0.703
local terms energy: -381.231721
where:
bonds (distance) C4'-P energy: -74.409
bonds (distance) P-C4' energy: -81.322
flat angles C4'-P-C4' energy: -98.370
flat angles P-C4'-P energy: -58.129
tors. eta vs tors. theta energy: -69.001
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: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -830.314996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.314996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.314996 (E_RNA)
where:
Base-Base interactions energy: -439.099
where: short stacking energy: -264.124
Base-Backbone interact. energy: -0.398
local terms energy: -390.818143
where:
bonds (distance) C4'-P energy: -81.406
bonds (distance) P-C4' energy: -96.211
flat angles C4'-P-C4' energy: -87.063
flat angles P-C4'-P energy: -51.535
tors. eta vs tors. theta energy: -74.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -683.538725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.538725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.538725 (E_RNA)
where:
Base-Base interactions energy: -341.649
where: short stacking energy: -224.851
Base-Backbone interact. energy: 0.939
local terms energy: -342.828666
where:
bonds (distance) C4'-P energy: -91.781
bonds (distance) P-C4' energy: -88.601
flat angles C4'-P-C4' energy: -83.233
flat angles P-C4'-P energy: -49.701
tors. eta vs tors. theta energy: -29.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -650.280936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.280936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.280936 (E_RNA)
where:
Base-Base interactions energy: -324.570
where: short stacking energy: -237.132
Base-Backbone interact. energy: 2.011
local terms energy: -327.722518
where:
bonds (distance) C4'-P energy: -81.148
bonds (distance) P-C4' energy: -77.536
flat angles C4'-P-C4' energy: -82.782
flat angles P-C4'-P energy: -48.660
tors. eta vs tors. theta energy: -37.596
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: 330
Temperature: 1.200000
Total energy: -529.533109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.533109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.533109 (E_RNA)
where:
Base-Base interactions energy: -242.247
where: short stacking energy: -173.092
Base-Backbone interact. energy: 1.142
local terms energy: -288.428005
where:
bonds (distance) C4'-P energy: -79.186
bonds (distance) P-C4' energy: -76.588
flat angles C4'-P-C4' energy: -58.136
flat angles P-C4'-P energy: -47.718
tors. eta vs tors. theta energy: -26.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -411.273630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.273630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.273630 (E_RNA)
where:
Base-Base interactions energy: -134.961
where: short stacking energy: -124.526
Base-Backbone interact. energy: -0.563
local terms energy: -275.749321
where:
bonds (distance) C4'-P energy: -82.666
bonds (distance) P-C4' energy: -73.202
flat angles C4'-P-C4' energy: -76.710
flat angles P-C4'-P energy: -33.439
tors. eta vs tors. theta energy: -9.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -368.970662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.970662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.970662 (E_RNA)
where:
Base-Base interactions energy: -113.279
where: short stacking energy: -90.413
Base-Backbone interact. energy: -1.497
local terms energy: -254.194288
where:
bonds (distance) C4'-P energy: -77.341
bonds (distance) P-C4' energy: -79.349
flat angles C4'-P-C4' energy: -66.574
flat angles P-C4'-P energy: -39.006
tors. eta vs tors. theta energy: 8.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -356.341217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.341217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.341217 (E_RNA)
where:
Base-Base interactions energy: -104.562
where: short stacking energy: -99.588
Base-Backbone interact. energy: 1.933
local terms energy: -253.711943
where:
bonds (distance) C4'-P energy: -77.726
bonds (distance) P-C4' energy: -79.563
flat angles C4'-P-C4' energy: -61.309
flat angles P-C4'-P energy: -34.564
tors. eta vs tors. theta energy: -0.550
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1199.573354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.573354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.573354 (E_RNA)
where:
Base-Base interactions energy: -719.848
where: short stacking energy: -426.197
Base-Backbone interact. energy: -1.412
local terms energy: -478.313391
where:
bonds (distance) C4'-P energy: -94.207
bonds (distance) P-C4' energy: -84.597
flat angles C4'-P-C4' energy: -100.925
flat angles P-C4'-P energy: -77.930
tors. eta vs tors. theta energy: -120.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1123.628859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.628859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.628859 (E_RNA)
where:
Base-Base interactions energy: -708.551
where: short stacking energy: -397.587
Base-Backbone interact. energy: -0.857
local terms energy: -414.221431
where:
bonds (distance) C4'-P energy: -81.064
bonds (distance) P-C4' energy: -90.191
flat angles C4'-P-C4' energy: -82.736
flat angles P-C4'-P energy: -56.002
tors. eta vs tors. theta energy: -104.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -928.219549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.219549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.219549 (E_RNA)
where:
Base-Base interactions energy: -512.664
where: short stacking energy: -328.877
Base-Backbone interact. energy: 0.621
local terms energy: -416.176506
where:
bonds (distance) C4'-P energy: -83.106
bonds (distance) P-C4' energy: -89.664
flat angles C4'-P-C4' energy: -88.452
flat angles P-C4'-P energy: -73.322
tors. eta vs tors. theta energy: -81.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -845.483870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.483870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.483870 (E_RNA)
where:
Base-Base interactions energy: -482.073
where: short stacking energy: -296.154
Base-Backbone interact. energy: -1.109
local terms energy: -362.301225
where:
bonds (distance) C4'-P energy: -91.893
bonds (distance) P-C4' energy: -72.467
flat angles C4'-P-C4' energy: -77.809
flat angles P-C4'-P energy: -51.572
tors. eta vs tors. theta energy: -68.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -674.639766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.639766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.639766 (E_RNA)
where:
Base-Base interactions energy: -340.169
where: short stacking energy: -229.631
Base-Backbone interact. energy: -0.057
local terms energy: -334.413099
where:
bonds (distance) C4'-P energy: -85.586
bonds (distance) P-C4' energy: -81.908
flat angles C4'-P-C4' energy: -93.042
flat angles P-C4'-P energy: -39.613
tors. eta vs tors. theta energy: -34.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -593.002704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.002704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.002704 (E_RNA)
where:
Base-Base interactions energy: -259.941
where: short stacking energy: -178.363
Base-Backbone interact. energy: -0.288
local terms energy: -332.773832
where:
bonds (distance) C4'-P energy: -83.420
bonds (distance) P-C4' energy: -77.430
flat angles C4'-P-C4' energy: -83.688
flat angles P-C4'-P energy: -55.455
tors. eta vs tors. theta energy: -32.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -529.425891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.425891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.425891 (E_RNA)
where:
Base-Base interactions energy: -226.472
where: short stacking energy: -145.849
Base-Backbone interact. energy: -1.526
local terms energy: -301.427953
where:
bonds (distance) C4'-P energy: -72.239
bonds (distance) P-C4' energy: -82.802
flat angles C4'-P-C4' energy: -79.028
flat angles P-C4'-P energy: -49.192
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -430.849631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.849631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.849631 (E_RNA)
where:
Base-Base interactions energy: -147.435
where: short stacking energy: -119.160
Base-Backbone interact. energy: 2.971
local terms energy: -286.385621
where:
bonds (distance) C4'-P energy: -84.539
bonds (distance) P-C4' energy: -97.494
flat angles C4'-P-C4' energy: -62.931
flat angles P-C4'-P energy: -44.070
tors. eta vs tors. theta energy: 2.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -377.445414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.445414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.445414 (E_RNA)
where:
Base-Base interactions energy: -130.591
where: short stacking energy: -103.072
Base-Backbone interact. energy: 0.087
local terms energy: -246.940542
where:
bonds (distance) C4'-P energy: -69.009
bonds (distance) P-C4' energy: -80.085
flat angles C4'-P-C4' energy: -68.113
flat angles P-C4'-P energy: -38.769
tors. eta vs tors. theta energy: 9.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -357.047359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.047359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.047359 (E_RNA)
where:
Base-Base interactions energy: -113.298
where: short stacking energy: -84.951
Base-Backbone interact. energy: 3.519
local terms energy: -247.269105
where:
bonds (distance) C4'-P energy: -67.246
bonds (distance) P-C4' energy: -65.938
flat angles C4'-P-C4' energy: -80.356
flat angles P-C4'-P energy: -46.073
tors. eta vs tors. theta energy: 12.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1209.008794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.008794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.008794 (E_RNA)
where:
Base-Base interactions energy: -714.353
where: short stacking energy: -419.423
Base-Backbone interact. energy: -1.990
local terms energy: -492.666119
where:
bonds (distance) C4'-P energy: -88.418
bonds (distance) P-C4' energy: -100.431
flat angles C4'-P-C4' energy: -101.628
flat angles P-C4'-P energy: -78.548
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: 2, replica: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1153.137627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.137627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.137627 (E_RNA)
where:
Base-Base interactions energy: -695.616
where: short stacking energy: -408.081
Base-Backbone interact. energy: -1.733
local terms energy: -455.788787
where:
bonds (distance) C4'-P energy: -88.875
bonds (distance) P-C4' energy: -90.303
flat angles C4'-P-C4' energy: -90.622
flat angles P-C4'-P energy: -67.080
tors. eta vs tors. theta energy: -118.909
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: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -951.963670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.963670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.963670 (E_RNA)
where:
Base-Base interactions energy: -520.399
where: short stacking energy: -323.003
Base-Backbone interact. energy: -0.809
local terms energy: -430.755883
where:
bonds (distance) C4'-P energy: -80.902
bonds (distance) P-C4' energy: -90.479
flat angles C4'-P-C4' energy: -101.468
flat angles P-C4'-P energy: -63.964
tors. eta vs tors. theta energy: -93.943
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: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -831.012367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.012367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.012367 (E_RNA)
where:
Base-Base interactions energy: -446.278
where: short stacking energy: -300.118
Base-Backbone interact. energy: -0.676
local terms energy: -384.057778
where:
bonds (distance) C4'-P energy: -75.366
bonds (distance) P-C4' energy: -92.923
flat angles C4'-P-C4' energy: -75.146
flat angles P-C4'-P energy: -64.015
tors. eta vs tors. theta energy: -76.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -695.427837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.427837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.427837 (E_RNA)
where:
Base-Base interactions energy: -352.495
where: short stacking energy: -220.018
Base-Backbone interact. energy: -0.314
local terms energy: -342.617947
where:
bonds (distance) C4'-P energy: -82.629
bonds (distance) P-C4' energy: -82.969
flat angles C4'-P-C4' energy: -74.218
flat angles P-C4'-P energy: -49.469
tors. eta vs tors. theta energy: -53.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -605.340027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.340027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.340027 (E_RNA)
where:
Base-Base interactions energy: -278.266
where: short stacking energy: -206.195
Base-Backbone interact. energy: -0.395
local terms energy: -326.679089
where:
bonds (distance) C4'-P energy: -80.160
bonds (distance) P-C4' energy: -75.139
flat angles C4'-P-C4' energy: -80.854
flat angles P-C4'-P energy: -42.056
tors. eta vs tors. theta energy: -48.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -487.708233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.708233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.708233 (E_RNA)
where:
Base-Base interactions energy: -192.963
where: short stacking energy: -142.854
Base-Backbone interact. energy: -0.025
local terms energy: -294.720256
where:
bonds (distance) C4'-P energy: -87.814
bonds (distance) P-C4' energy: -83.583
flat angles C4'-P-C4' energy: -81.667
flat angles P-C4'-P energy: -45.404
tors. eta vs tors. theta energy: 3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -495.727048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.727048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.727048 (E_RNA)
where:
Base-Base interactions energy: -203.471
where: short stacking energy: -149.816
Base-Backbone interact. energy: -1.403
local terms energy: -290.853612
where:
bonds (distance) C4'-P energy: -85.289
bonds (distance) P-C4' energy: -72.465
flat angles C4'-P-C4' energy: -66.966
flat angles P-C4'-P energy: -58.679
tors. eta vs tors. theta energy: -7.453
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: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -372.231619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.231619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.231619 (E_RNA)
where:
Base-Base interactions energy: -114.795
where: short stacking energy: -104.995
Base-Backbone interact. energy: 4.748
local terms energy: -262.184163
where:
bonds (distance) C4'-P energy: -73.513
bonds (distance) P-C4' energy: -79.528
flat angles C4'-P-C4' energy: -67.869
flat angles P-C4'-P energy: -35.548
tors. eta vs tors. theta energy: -5.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -346.171633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.171633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.171633 (E_RNA)
where:
Base-Base interactions energy: -90.026
where: short stacking energy: -78.009
Base-Backbone interact. energy: -1.117
local terms energy: -255.028242
where:
bonds (distance) C4'-P energy: -78.599
bonds (distance) P-C4' energy: -96.992
flat angles C4'-P-C4' energy: -64.550
flat angles P-C4'-P energy: -36.223
tors. eta vs tors. theta energy: 21.336
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1197.441604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.441604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.441604 (E_RNA)
where:
Base-Base interactions energy: -715.422
where: short stacking energy: -436.212
Base-Backbone interact. energy: 0.561
local terms energy: -482.580937
where:
bonds (distance) C4'-P energy: -94.728
bonds (distance) P-C4' energy: -95.697
flat angles C4'-P-C4' energy: -109.286
flat angles P-C4'-P energy: -65.004
tors. eta vs tors. theta energy: -117.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1146.174475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.174475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.174475 (E_RNA)
where:
Base-Base interactions energy: -675.381
where: short stacking energy: -399.053
Base-Backbone interact. energy: -2.224
local terms energy: -468.569467
where:
bonds (distance) C4'-P energy: -97.975
bonds (distance) P-C4' energy: -95.798
flat angles C4'-P-C4' energy: -96.809
flat angles P-C4'-P energy: -64.796
tors. eta vs tors. theta energy: -113.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -909.477740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.477740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.477740 (E_RNA)
where:
Base-Base interactions energy: -505.700
where: short stacking energy: -319.301
Base-Backbone interact. energy: -2.909
local terms energy: -400.869221
where:
bonds (distance) C4'-P energy: -83.642
bonds (distance) P-C4' energy: -88.821
flat angles C4'-P-C4' energy: -89.855
flat angles P-C4'-P energy: -59.535
tors. eta vs tors. theta energy: -79.016
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: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -814.856844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.856844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.856844 (E_RNA)
where:
Base-Base interactions energy: -423.218
where: short stacking energy: -264.126
Base-Backbone interact. energy: -0.900
local terms energy: -390.738354
where:
bonds (distance) C4'-P energy: -84.102
bonds (distance) P-C4' energy: -89.535
flat angles C4'-P-C4' energy: -84.370
flat angles P-C4'-P energy: -60.068
tors. eta vs tors. theta energy: -72.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -695.767043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.767043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.767043 (E_RNA)
where:
Base-Base interactions energy: -361.203
where: short stacking energy: -199.530
Base-Backbone interact. energy: -0.862
local terms energy: -333.702511
where:
bonds (distance) C4'-P energy: -77.179
bonds (distance) P-C4' energy: -81.367
flat angles C4'-P-C4' energy: -90.096
flat angles P-C4'-P energy: -46.369
tors. eta vs tors. theta energy: -38.690
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: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -507.968110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.968110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.968110 (E_RNA)
where:
Base-Base interactions energy: -203.416
where: short stacking energy: -155.176
Base-Backbone interact. energy: -0.873
local terms energy: -303.678552
where:
bonds (distance) C4'-P energy: -85.325
bonds (distance) P-C4' energy: -92.255
flat angles C4'-P-C4' energy: -73.828
flat angles P-C4'-P energy: -38.411
tors. eta vs tors. theta energy: -13.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -551.376135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.376135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.376135 (E_RNA)
where:
Base-Base interactions energy: -235.127
where: short stacking energy: -153.472
Base-Backbone interact. energy: -1.202
local terms energy: -315.047108
where:
bonds (distance) C4'-P energy: -80.319
bonds (distance) P-C4' energy: -98.673
flat angles C4'-P-C4' energy: -76.226
flat angles P-C4'-P energy: -41.553
tors. eta vs tors. theta energy: -18.276
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: 333
Temperature: 1.250000
Total energy: -503.121270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.121270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.121270 (E_RNA)
where:
Base-Base interactions energy: -237.578
where: short stacking energy: -149.661
Base-Backbone interact. energy: 1.178
local terms energy: -266.721602
where:
bonds (distance) C4'-P energy: -71.286
bonds (distance) P-C4' energy: -79.745
flat angles C4'-P-C4' energy: -69.260
flat angles P-C4'-P energy: -42.721
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -381.790661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.790661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.790661 (E_RNA)
where:
Base-Base interactions energy: -140.069
where: short stacking energy: -108.392
Base-Backbone interact. energy: 3.113
local terms energy: -244.835113
where:
bonds (distance) C4'-P energy: -80.639
bonds (distance) P-C4' energy: -79.410
flat angles C4'-P-C4' energy: -69.099
flat angles P-C4'-P energy: -33.487
tors. eta vs tors. theta energy: 17.800
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: 10, replica: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -337.744623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.744623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.744623 (E_RNA)
where:
Base-Base interactions energy: -118.633
where: short stacking energy: -92.451
Base-Backbone interact. energy: -1.479
local terms energy: -217.633309
where:
bonds (distance) C4'-P energy: -81.294
bonds (distance) P-C4' energy: -68.176
flat angles C4'-P-C4' energy: -54.855
flat angles P-C4'-P energy: -37.160
tors. eta vs tors. theta energy: 23.852
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1208.050457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.050457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.050457 (E_RNA)
where:
Base-Base interactions energy: -726.256
where: short stacking energy: -437.068
Base-Backbone interact. energy: 1.597
local terms energy: -483.391805
where:
bonds (distance) C4'-P energy: -92.597
bonds (distance) P-C4' energy: -101.196
flat angles C4'-P-C4' energy: -98.965
flat angles P-C4'-P energy: -67.675
tors. eta vs tors. theta energy: -122.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1090.294282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.294282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.294282 (E_RNA)
where:
Base-Base interactions energy: -634.626
where: short stacking energy: -366.435
Base-Backbone interact. energy: -2.410
local terms energy: -453.258289
where:
bonds (distance) C4'-P energy: -85.852
bonds (distance) P-C4' energy: -95.969
flat angles C4'-P-C4' energy: -102.330
flat angles P-C4'-P energy: -57.540
tors. eta vs tors. theta energy: -111.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -902.753515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.753515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.753515 (E_RNA)
where:
Base-Base interactions energy: -506.517
where: short stacking energy: -293.161
Base-Backbone interact. energy: -1.586
local terms energy: -394.650516
where:
bonds (distance) C4'-P energy: -90.296
bonds (distance) P-C4' energy: -83.144
flat angles C4'-P-C4' energy: -86.956
flat angles P-C4'-P energy: -66.421
tors. eta vs tors. theta energy: -67.833
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: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -798.844792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.844792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.844792 (E_RNA)
where:
Base-Base interactions energy: -420.882
where: short stacking energy: -257.921
Base-Backbone interact. energy: 1.344
local terms energy: -379.307033
where:
bonds (distance) C4'-P energy: -84.663
bonds (distance) P-C4' energy: -95.162
flat angles C4'-P-C4' energy: -90.471
flat angles P-C4'-P energy: -60.833
tors. eta vs tors. theta energy: -48.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -672.963917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.963917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.963917 (E_RNA)
where:
Base-Base interactions energy: -353.221
where: short stacking energy: -217.656
Base-Backbone interact. energy: -1.894
local terms energy: -317.848886
where:
bonds (distance) C4'-P energy: -72.537
bonds (distance) P-C4' energy: -80.411
flat angles C4'-P-C4' energy: -83.617
flat angles P-C4'-P energy: -47.057
tors. eta vs tors. theta energy: -34.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -502.038414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.038414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.038414 (E_RNA)
where:
Base-Base interactions energy: -199.828
where: short stacking energy: -158.829
Base-Backbone interact. energy: 2.705
local terms energy: -304.915303
where:
bonds (distance) C4'-P energy: -79.587
bonds (distance) P-C4' energy: -78.878
flat angles C4'-P-C4' energy: -73.920
flat angles P-C4'-P energy: -60.429
tors. eta vs tors. theta energy: -12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -621.053129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.053129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.053129 (E_RNA)
where:
Base-Base interactions energy: -281.150
where: short stacking energy: -193.308
Base-Backbone interact. energy: -2.055
local terms energy: -337.847950
where:
bonds (distance) C4'-P energy: -87.659
bonds (distance) P-C4' energy: -86.128
flat angles C4'-P-C4' energy: -81.629
flat angles P-C4'-P energy: -46.961
tors. eta vs tors. theta energy: -35.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -500.176762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.176762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.176762 (E_RNA)
where:
Base-Base interactions energy: -219.939
where: short stacking energy: -149.173
Base-Backbone interact. energy: -2.528
local terms energy: -277.709305
where:
bonds (distance) C4'-P energy: -66.990
bonds (distance) P-C4' energy: -85.028
flat angles C4'-P-C4' energy: -82.260
flat angles P-C4'-P energy: -41.612
tors. eta vs tors. theta energy: -1.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -378.679158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.679158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.679158 (E_RNA)
where:
Base-Base interactions energy: -116.414
where: short stacking energy: -106.429
Base-Backbone interact. energy: 8.430
local terms energy: -270.695901
where:
bonds (distance) C4'-P energy: -81.902
bonds (distance) P-C4' energy: -83.277
flat angles C4'-P-C4' energy: -85.146
flat angles P-C4'-P energy: -32.399
tors. eta vs tors. theta energy: 12.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -340.237033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.237033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.237033 (E_RNA)
where:
Base-Base interactions energy: -109.902
where: short stacking energy: -102.291
Base-Backbone interact. energy: -0.687
local terms energy: -229.648121
where:
bonds (distance) C4'-P energy: -80.920
bonds (distance) P-C4' energy: -86.294
flat angles C4'-P-C4' energy: -57.649
flat angles P-C4'-P energy: -23.839
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1162.326897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.326897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.326897 (E_RNA)
where:
Base-Base interactions energy: -686.653
where: short stacking energy: -395.626
Base-Backbone interact. energy: -1.002
local terms energy: -474.671834
where:
bonds (distance) C4'-P energy: -90.063
bonds (distance) P-C4' energy: -93.361
flat angles C4'-P-C4' energy: -107.391
flat angles P-C4'-P energy: -71.364
tors. eta vs tors. theta energy: -112.492
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: 2, replica: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1084.491058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.491058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.491058 (E_RNA)
where:
Base-Base interactions energy: -617.737
where: short stacking energy: -376.118
Base-Backbone interact. energy: 0.031
local terms energy: -466.784914
where:
bonds (distance) C4'-P energy: -90.361
bonds (distance) P-C4' energy: -99.890
flat angles C4'-P-C4' energy: -104.377
flat angles P-C4'-P energy: -65.692
tors. eta vs tors. theta energy: -106.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -904.882340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.882340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.882340 (E_RNA)
where:
Base-Base interactions energy: -511.836
where: short stacking energy: -285.780
Base-Backbone interact. energy: 0.228
local terms energy: -393.274496
where:
bonds (distance) C4'-P energy: -93.581
bonds (distance) P-C4' energy: -96.693
flat angles C4'-P-C4' energy: -85.089
flat angles P-C4'-P energy: -54.636
tors. eta vs tors. theta energy: -63.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -763.054755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.054755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.054755 (E_RNA)
where:
Base-Base interactions energy: -391.173
where: short stacking energy: -279.625
Base-Backbone interact. energy: 0.744
local terms energy: -372.626150
where:
bonds (distance) C4'-P energy: -83.568
bonds (distance) P-C4' energy: -89.666
flat angles C4'-P-C4' energy: -88.511
flat angles P-C4'-P energy: -48.705
tors. eta vs tors. theta energy: -62.176
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: 2
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -659.585933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.585933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.585933 (E_RNA)
where:
Base-Base interactions energy: -329.616
where: short stacking energy: -220.343
Base-Backbone interact. energy: -1.133
local terms energy: -328.837194
where:
bonds (distance) C4'-P energy: -77.380
bonds (distance) P-C4' energy: -74.311
flat angles C4'-P-C4' energy: -80.939
flat angles P-C4'-P energy: -59.093
tors. eta vs tors. theta energy: -37.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -586.231785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.231785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.231785 (E_RNA)
where:
Base-Base interactions energy: -277.736
where: short stacking energy: -191.781
Base-Backbone interact. energy: 0.797
local terms energy: -309.292416
where:
bonds (distance) C4'-P energy: -78.289
bonds (distance) P-C4' energy: -91.915
flat angles C4'-P-C4' energy: -76.579
flat angles P-C4'-P energy: -33.937
tors. eta vs tors. theta energy: -28.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -482.155365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.155365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.155365 (E_RNA)
where:
Base-Base interactions energy: -211.026
where: short stacking energy: -139.409
Base-Backbone interact. energy: -0.123
local terms energy: -271.005768
where:
bonds (distance) C4'-P energy: -88.884
bonds (distance) P-C4' energy: -68.039
flat angles C4'-P-C4' energy: -74.738
flat angles P-C4'-P energy: -36.785
tors. eta vs tors. theta energy: -2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -497.336263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.336263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.336263 (E_RNA)
where:
Base-Base interactions energy: -206.716
where: short stacking energy: -146.177
Base-Backbone interact. energy: 4.509
local terms energy: -295.128601
where:
bonds (distance) C4'-P energy: -78.379
bonds (distance) P-C4' energy: -90.154
flat angles C4'-P-C4' energy: -61.922
flat angles P-C4'-P energy: -54.142
tors. eta vs tors. theta energy: -10.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -391.493602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.493602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.493602 (E_RNA)
where:
Base-Base interactions energy: -99.283
where: short stacking energy: -97.298
Base-Backbone interact. energy: 1.792
local terms energy: -294.002981
where:
bonds (distance) C4'-P energy: -92.915
bonds (distance) P-C4' energy: -85.791
flat angles C4'-P-C4' energy: -70.438
flat angles P-C4'-P energy: -30.003
tors. eta vs tors. theta energy: -14.857
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: 10
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -371.736398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.736398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.736398 (E_RNA)
where:
Base-Base interactions energy: -131.276
where: short stacking energy: -128.694
Base-Backbone interact. energy: 3.749
local terms energy: -244.209313
where:
bonds (distance) C4'-P energy: -74.048
bonds (distance) P-C4' energy: -63.827
flat angles C4'-P-C4' energy: -71.249
flat angles P-C4'-P energy: -34.367
tors. eta vs tors. theta energy: -0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1181.952788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.952788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.952788 (E_RNA)
where:
Base-Base interactions energy: -717.141
where: short stacking energy: -407.813
Base-Backbone interact. energy: 0.129
local terms energy: -464.940763
where:
bonds (distance) C4'-P energy: -88.323
bonds (distance) P-C4' energy: -93.274
flat angles C4'-P-C4' energy: -106.970
flat angles P-C4'-P energy: -63.788
tors. eta vs tors. theta energy: -112.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1083.244386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.244386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.244386 (E_RNA)
where:
Base-Base interactions energy: -645.734
where: short stacking energy: -383.544
Base-Backbone interact. energy: 0.795
local terms energy: -438.304870
where:
bonds (distance) C4'-P energy: -84.244
bonds (distance) P-C4' energy: -91.122
flat angles C4'-P-C4' energy: -102.231
flat angles P-C4'-P energy: -47.460
tors. eta vs tors. theta energy: -113.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -921.547135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.547135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.547135 (E_RNA)
where:
Base-Base interactions energy: -495.848
where: short stacking energy: -277.483
Base-Backbone interact. energy: -0.979
local terms energy: -424.720209
where:
bonds (distance) C4'-P energy: -101.343
bonds (distance) P-C4' energy: -100.346
flat angles C4'-P-C4' energy: -101.081
flat angles P-C4'-P energy: -48.083
tors. eta vs tors. theta energy: -73.868
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: 5
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -701.773996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.773996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.773996 (E_RNA)
where:
Base-Base interactions energy: -346.349
where: short stacking energy: -222.619
Base-Backbone interact. energy: -0.408
local terms energy: -355.017008
where:
bonds (distance) C4'-P energy: -84.425
bonds (distance) P-C4' energy: -95.511
flat angles C4'-P-C4' energy: -75.484
flat angles P-C4'-P energy: -50.645
tors. eta vs tors. theta energy: -48.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -703.465824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.465824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.465824 (E_RNA)
where:
Base-Base interactions energy: -348.273
where: short stacking energy: -232.558
Base-Backbone interact. energy: -0.558
local terms energy: -354.635198
where:
bonds (distance) C4'-P energy: -84.123
bonds (distance) P-C4' energy: -101.941
flat angles C4'-P-C4' energy: -81.233
flat angles P-C4'-P energy: -51.132
tors. eta vs tors. theta energy: -36.207
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: 336
Temperature: 1.150000
Total energy: -632.575489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.575489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.575489 (E_RNA)
where:
Base-Base interactions energy: -312.265
where: short stacking energy: -220.295
Base-Backbone interact. energy: -0.059
local terms energy: -320.251217
where:
bonds (distance) C4'-P energy: -75.187
bonds (distance) P-C4' energy: -81.373
flat angles C4'-P-C4' energy: -80.516
flat angles P-C4'-P energy: -55.451
tors. eta vs tors. theta energy: -27.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -495.052375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.052375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.052375 (E_RNA)
where:
Base-Base interactions energy: -207.933
where: short stacking energy: -142.446
Base-Backbone interact. energy: -0.103
local terms energy: -287.016223
where:
bonds (distance) C4'-P energy: -79.925
bonds (distance) P-C4' energy: -83.604
flat angles C4'-P-C4' energy: -69.202
flat angles P-C4'-P energy: -45.792
tors. eta vs tors. theta energy: -8.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -421.113027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.113027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.113027 (E_RNA)
where:
Base-Base interactions energy: -153.845
where: short stacking energy: -114.022
Base-Backbone interact. energy: -2.621
local terms energy: -264.647190
where:
bonds (distance) C4'-P energy: -74.625
bonds (distance) P-C4' energy: -77.857
flat angles C4'-P-C4' energy: -80.063
flat angles P-C4'-P energy: -42.793
tors. eta vs tors. theta energy: 10.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -397.794480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.794480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.794480 (E_RNA)
where:
Base-Base interactions energy: -157.093
where: short stacking energy: -128.566
Base-Backbone interact. energy: 1.483
local terms energy: -242.184683
where:
bonds (distance) C4'-P energy: -69.915
bonds (distance) P-C4' energy: -73.017
flat angles C4'-P-C4' energy: -49.934
flat angles P-C4'-P energy: -41.568
tors. eta vs tors. theta energy: -7.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -357.771062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.771062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.771062 (E_RNA)
where:
Base-Base interactions energy: -131.982
where: short stacking energy: -111.142
Base-Backbone interact. energy: -1.131
local terms energy: -224.658363
where:
bonds (distance) C4'-P energy: -65.768
bonds (distance) P-C4' energy: -79.752
flat angles C4'-P-C4' energy: -67.171
flat angles P-C4'-P energy: -36.515
tors. eta vs tors. theta energy: 24.547
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1164.113428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.113428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.113428 (E_RNA)
where:
Base-Base interactions energy: -690.785
where: short stacking energy: -395.168
Base-Backbone interact. energy: 0.624
local terms energy: -473.951695
where:
bonds (distance) C4'-P energy: -89.617
bonds (distance) P-C4' energy: -93.566
flat angles C4'-P-C4' energy: -105.398
flat angles P-C4'-P energy: -73.547
tors. eta vs tors. theta energy: -111.824
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: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1061.926642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.926642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.926642 (E_RNA)
where:
Base-Base interactions energy: -619.426
where: short stacking energy: -374.142
Base-Backbone interact. energy: -0.224
local terms energy: -442.276081
where:
bonds (distance) C4'-P energy: -91.806
bonds (distance) P-C4' energy: -87.837
flat angles C4'-P-C4' energy: -91.005
flat angles P-C4'-P energy: -60.343
tors. eta vs tors. theta energy: -111.285
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: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -918.120484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.120484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.120484 (E_RNA)
where:
Base-Base interactions energy: -518.890
where: short stacking energy: -318.801
Base-Backbone interact. energy: 0.728
local terms energy: -399.958300
where:
bonds (distance) C4'-P energy: -82.380
bonds (distance) P-C4' energy: -96.416
flat angles C4'-P-C4' energy: -92.656
flat angles P-C4'-P energy: -51.594
tors. eta vs tors. theta energy: -76.911
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: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -738.277143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.277143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.277143 (E_RNA)
where:
Base-Base interactions energy: -355.864
where: short stacking energy: -262.579
Base-Backbone interact. energy: -0.603
local terms energy: -381.810454
where:
bonds (distance) C4'-P energy: -91.028
bonds (distance) P-C4' energy: -87.655
flat angles C4'-P-C4' energy: -83.994
flat angles P-C4'-P energy: -60.177
tors. eta vs tors. theta energy: -58.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -651.885059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.885059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.885059 (E_RNA)
where:
Base-Base interactions energy: -289.432
where: short stacking energy: -190.378
Base-Backbone interact. energy: -1.723
local terms energy: -360.730071
where:
bonds (distance) C4'-P energy: -98.931
bonds (distance) P-C4' energy: -88.154
flat angles C4'-P-C4' energy: -93.587
flat angles P-C4'-P energy: -43.012
tors. eta vs tors. theta energy: -37.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -608.165681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.165681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.165681 (E_RNA)
where:
Base-Base interactions energy: -295.297
where: short stacking energy: -183.143
Base-Backbone interact. energy: -0.973
local terms energy: -311.895696
where:
bonds (distance) C4'-P energy: -74.699
bonds (distance) P-C4' energy: -86.954
flat angles C4'-P-C4' energy: -82.947
flat angles P-C4'-P energy: -44.210
tors. eta vs tors. theta energy: -23.086
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: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -424.388577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.388577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.388577 (E_RNA)
where:
Base-Base interactions energy: -139.784
where: short stacking energy: -123.442
Base-Backbone interact. energy: 0.871
local terms energy: -285.476211
where:
bonds (distance) C4'-P energy: -92.098
bonds (distance) P-C4' energy: -92.067
flat angles C4'-P-C4' energy: -71.553
flat angles P-C4'-P energy: -44.927
tors. eta vs tors. theta energy: 15.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -386.298043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.298043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.298043 (E_RNA)
where:
Base-Base interactions energy: -120.349
where: short stacking energy: -109.842
Base-Backbone interact. energy: -0.133
local terms energy: -265.816285
where:
bonds (distance) C4'-P energy: -77.225
bonds (distance) P-C4' energy: -71.557
flat angles C4'-P-C4' energy: -73.670
flat angles P-C4'-P energy: -49.207
tors. eta vs tors. theta energy: 5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -397.138014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.138014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.138014 (E_RNA)
where:
Base-Base interactions energy: -114.873
where: short stacking energy: -95.962
Base-Backbone interact. energy: -1.332
local terms energy: -280.932198
where:
bonds (distance) C4'-P energy: -64.581
bonds (distance) P-C4' energy: -89.793
flat angles C4'-P-C4' energy: -76.594
flat angles P-C4'-P energy: -50.182
tors. eta vs tors. theta energy: 0.218
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: 10, replica: 7
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -346.147849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.147849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.147849 (E_RNA)
where:
Base-Base interactions energy: -122.035
where: short stacking energy: -96.109
Base-Backbone interact. energy: 9.290
local terms energy: -233.403181
where:
bonds (distance) C4'-P energy: -79.362
bonds (distance) P-C4' energy: -73.991
flat angles C4'-P-C4' energy: -60.127
flat angles P-C4'-P energy: -37.390
tors. eta vs tors. theta energy: 17.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1236.780995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.780995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.780995 (E_RNA)
where:
Base-Base interactions energy: -765.596
where: short stacking energy: -436.607
Base-Backbone interact. energy: -2.488
local terms energy: -468.697188
where:
bonds (distance) C4'-P energy: -84.938
bonds (distance) P-C4' energy: -93.566
flat angles C4'-P-C4' energy: -105.774
flat angles P-C4'-P energy: -66.818
tors. eta vs tors. theta energy: -117.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1057.926677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.926677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.926677 (E_RNA)
where:
Base-Base interactions energy: -622.462
where: short stacking energy: -363.792
Base-Backbone interact. energy: 0.364
local terms energy: -435.828229
where:
bonds (distance) C4'-P energy: -77.007
bonds (distance) P-C4' energy: -101.190
flat angles C4'-P-C4' energy: -101.900
flat angles P-C4'-P energy: -55.438
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: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -930.004357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.004357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.004357 (E_RNA)
where:
Base-Base interactions energy: -517.305
where: short stacking energy: -338.497
Base-Backbone interact. energy: -0.778
local terms energy: -411.921201
where:
bonds (distance) C4'-P energy: -89.748
bonds (distance) P-C4' energy: -79.266
flat angles C4'-P-C4' energy: -95.526
flat angles P-C4'-P energy: -53.148
tors. eta vs tors. theta energy: -94.232
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: 5
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -747.875785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.875785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.875785 (E_RNA)
where:
Base-Base interactions energy: -366.109
where: short stacking energy: -257.047
Base-Backbone interact. energy: 0.431
local terms energy: -382.197757
where:
bonds (distance) C4'-P energy: -83.277
bonds (distance) P-C4' energy: -94.921
flat angles C4'-P-C4' energy: -91.505
flat angles P-C4'-P energy: -58.031
tors. eta vs tors. theta energy: -54.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -646.649553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.649553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.649553 (E_RNA)
where:
Base-Base interactions energy: -334.512
where: short stacking energy: -218.521
Base-Backbone interact. energy: 1.780
local terms energy: -313.917862
where:
bonds (distance) C4'-P energy: -79.985
bonds (distance) P-C4' energy: -80.815
flat angles C4'-P-C4' energy: -69.012
flat angles P-C4'-P energy: -50.977
tors. eta vs tors. theta energy: -33.128
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: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -585.120417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.120417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.120417 (E_RNA)
where:
Base-Base interactions energy: -270.195
where: short stacking energy: -188.436
Base-Backbone interact. energy: -1.632
local terms energy: -313.293396
where:
bonds (distance) C4'-P energy: -92.238
bonds (distance) P-C4' energy: -92.778
flat angles C4'-P-C4' energy: -74.656
flat angles P-C4'-P energy: -39.460
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -477.141879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.141879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.141879 (E_RNA)
where:
Base-Base interactions energy: -196.417
where: short stacking energy: -161.161
Base-Backbone interact. energy: 0.901
local terms energy: -281.625889
where:
bonds (distance) C4'-P energy: -82.628
bonds (distance) P-C4' energy: -77.627
flat angles C4'-P-C4' energy: -65.880
flat angles P-C4'-P energy: -47.870
tors. eta vs tors. theta energy: -7.621
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: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -423.438484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.438484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.438484 (E_RNA)
where:
Base-Base interactions energy: -151.980
where: short stacking energy: -141.184
Base-Backbone interact. energy: 0.440
local terms energy: -271.898745
where:
bonds (distance) C4'-P energy: -70.578
bonds (distance) P-C4' energy: -81.471
flat angles C4'-P-C4' energy: -70.612
flat angles P-C4'-P energy: -36.143
tors. eta vs tors. theta energy: -13.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -365.613488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.613488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.613488 (E_RNA)
where:
Base-Base interactions energy: -130.830
where: short stacking energy: -110.598
Base-Backbone interact. energy: 0.952
local terms energy: -235.735692
where:
bonds (distance) C4'-P energy: -69.186
bonds (distance) P-C4' energy: -93.994
flat angles C4'-P-C4' energy: -41.190
flat angles P-C4'-P energy: -36.815
tors. eta vs tors. theta energy: 5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -367.107492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.107492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.107492 (E_RNA)
where:
Base-Base interactions energy: -116.314
where: short stacking energy: -103.598
Base-Backbone interact. energy: 3.111
local terms energy: -253.904503
where:
bonds (distance) C4'-P energy: -86.276
bonds (distance) P-C4' energy: -78.816
flat angles C4'-P-C4' energy: -72.454
flat angles P-C4'-P energy: -30.076
tors. eta vs tors. theta energy: 13.718
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1229.930954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.930954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.930954 (E_RNA)
where:
Base-Base interactions energy: -761.329
where: short stacking energy: -441.435
Base-Backbone interact. energy: -0.248
local terms energy: -468.353972
where:
bonds (distance) C4'-P energy: -80.039
bonds (distance) P-C4' energy: -95.197
flat angles C4'-P-C4' energy: -105.887
flat angles P-C4'-P energy: -62.304
tors. eta vs tors. theta energy: -124.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1083.472534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.472534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.472534 (E_RNA)
where:
Base-Base interactions energy: -619.243
where: short stacking energy: -387.612
Base-Backbone interact. energy: -0.554
local terms energy: -463.674807
where:
bonds (distance) C4'-P energy: -98.089
bonds (distance) P-C4' energy: -86.478
flat angles C4'-P-C4' energy: -105.815
flat angles P-C4'-P energy: -64.241
tors. eta vs tors. theta energy: -109.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -933.545175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.545175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.545175 (E_RNA)
where:
Base-Base interactions energy: -535.292
where: short stacking energy: -329.538
Base-Backbone interact. energy: 2.331
local terms energy: -400.584167
where:
bonds (distance) C4'-P energy: -69.641
bonds (distance) P-C4' energy: -96.428
flat angles C4'-P-C4' energy: -106.020
flat angles P-C4'-P energy: -54.039
tors. eta vs tors. theta energy: -74.455
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: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -741.646219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.646219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.646219 (E_RNA)
where:
Base-Base interactions energy: -347.861
where: short stacking energy: -239.712
Base-Backbone interact. energy: -0.938
local terms energy: -392.847578
where:
bonds (distance) C4'-P energy: -84.795
bonds (distance) P-C4' energy: -101.139
flat angles C4'-P-C4' energy: -91.002
flat angles P-C4'-P energy: -58.509
tors. eta vs tors. theta energy: -57.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -680.665404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.665404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.665404 (E_RNA)
where:
Base-Base interactions energy: -318.021
where: short stacking energy: -217.511
Base-Backbone interact. energy: -1.801
local terms energy: -360.843277
where:
bonds (distance) C4'-P energy: -94.903
bonds (distance) P-C4' energy: -88.695
flat angles C4'-P-C4' energy: -88.314
flat angles P-C4'-P energy: -52.524
tors. eta vs tors. theta energy: -36.407
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: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -576.442931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.442931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.442931 (E_RNA)
where:
Base-Base interactions energy: -258.847
where: short stacking energy: -186.566
Base-Backbone interact. energy: 0.009
local terms energy: -317.605263
where:
bonds (distance) C4'-P energy: -65.809
bonds (distance) P-C4' energy: -94.642
flat angles C4'-P-C4' energy: -81.803
flat angles P-C4'-P energy: -52.737
tors. eta vs tors. theta energy: -22.614
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: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -500.937655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.937655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.937655 (E_RNA)
where:
Base-Base interactions energy: -241.185
where: short stacking energy: -193.612
Base-Backbone interact. energy: 0.210
local terms energy: -259.962213
where:
bonds (distance) C4'-P energy: -52.149
bonds (distance) P-C4' energy: -82.275
flat angles C4'-P-C4' energy: -71.561
flat angles P-C4'-P energy: -29.443
tors. eta vs tors. theta energy: -24.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -415.566139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.566139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.566139 (E_RNA)
where:
Base-Base interactions energy: -123.678
where: short stacking energy: -110.119
Base-Backbone interact. energy: -1.124
local terms energy: -290.764285
where:
bonds (distance) C4'-P energy: -94.162
bonds (distance) P-C4' energy: -88.301
flat angles C4'-P-C4' energy: -73.902
flat angles P-C4'-P energy: -33.386
tors. eta vs tors. theta energy: -1.013
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: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -372.939992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.939992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.939992 (E_RNA)
where:
Base-Base interactions energy: -144.044
where: short stacking energy: -112.601
Base-Backbone interact. energy: -0.864
local terms energy: -228.032303
where:
bonds (distance) C4'-P energy: -65.480
bonds (distance) P-C4' energy: -88.365
flat angles C4'-P-C4' energy: -71.191
flat angles P-C4'-P energy: -34.141
tors. eta vs tors. theta energy: 31.145
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: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -359.765478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.765478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.765478 (E_RNA)
where:
Base-Base interactions energy: -118.230
where: short stacking energy: -104.551
Base-Backbone interact. energy: 0.682
local terms energy: -242.217855
where:
bonds (distance) C4'-P energy: -59.173
bonds (distance) P-C4' energy: -88.943
flat angles C4'-P-C4' energy: -57.932
flat angles P-C4'-P energy: -45.388
tors. eta vs tors. theta energy: 9.219
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1214.049422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.049422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.049422 (E_RNA)
where:
Base-Base interactions energy: -741.563
where: short stacking energy: -414.167
Base-Backbone interact. energy: -0.954
local terms energy: -471.531922
where:
bonds (distance) C4'-P energy: -96.658
bonds (distance) P-C4' energy: -94.038
flat angles C4'-P-C4' energy: -102.468
flat angles P-C4'-P energy: -62.710
tors. eta vs tors. theta energy: -115.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1075.482159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.482159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.482159 (E_RNA)
where:
Base-Base interactions energy: -626.746
where: short stacking energy: -361.832
Base-Backbone interact. energy: 0.600
local terms energy: -449.336717
where:
bonds (distance) C4'-P energy: -76.695
bonds (distance) P-C4' energy: -94.847
flat angles C4'-P-C4' energy: -97.342
flat angles P-C4'-P energy: -67.560
tors. eta vs tors. theta energy: -112.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -901.614265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.614265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.614265 (E_RNA)
where:
Base-Base interactions energy: -481.522
where: short stacking energy: -295.942
Base-Backbone interact. energy: 1.495
local terms energy: -421.587054
where:
bonds (distance) C4'-P energy: -84.293
bonds (distance) P-C4' energy: -97.181
flat angles C4'-P-C4' energy: -100.840
flat angles P-C4'-P energy: -63.793
tors. eta vs tors. theta energy: -75.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -775.734847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.734847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.734847 (E_RNA)
where:
Base-Base interactions energy: -394.018
where: short stacking energy: -273.938
Base-Backbone interact. energy: -0.770
local terms energy: -380.946556
where:
bonds (distance) C4'-P energy: -91.680
bonds (distance) P-C4' energy: -83.846
flat angles C4'-P-C4' energy: -83.596
flat angles P-C4'-P energy: -52.089
tors. eta vs tors. theta energy: -69.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -678.152662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.152662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.152662 (E_RNA)
where:
Base-Base interactions energy: -316.117
where: short stacking energy: -220.014
Base-Backbone interact. energy: -2.049
local terms energy: -359.986632
where:
bonds (distance) C4'-P energy: -92.188
bonds (distance) P-C4' energy: -78.648
flat angles C4'-P-C4' energy: -92.703
flat angles P-C4'-P energy: -61.823
tors. eta vs tors. theta energy: -34.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -548.410129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.410129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.410129 (E_RNA)
where:
Base-Base interactions energy: -243.333
where: short stacking energy: -198.875
Base-Backbone interact. energy: -0.125
local terms energy: -304.952118
where:
bonds (distance) C4'-P energy: -75.678
bonds (distance) P-C4' energy: -83.349
flat angles C4'-P-C4' energy: -69.841
flat angles P-C4'-P energy: -47.185
tors. eta vs tors. theta energy: -28.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -504.602988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.602988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.602988 (E_RNA)
where:
Base-Base interactions energy: -197.819
where: short stacking energy: -163.836
Base-Backbone interact. energy: 1.546
local terms energy: -308.329779
where:
bonds (distance) C4'-P energy: -88.716
bonds (distance) P-C4' energy: -70.668
flat angles C4'-P-C4' energy: -74.072
flat angles P-C4'-P energy: -43.321
tors. eta vs tors. theta energy: -31.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -400.858991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.858991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.858991 (E_RNA)
where:
Base-Base interactions energy: -139.802
where: short stacking energy: -112.319
Base-Backbone interact. energy: 1.452
local terms energy: -262.509474
where:
bonds (distance) C4'-P energy: -65.809
bonds (distance) P-C4' energy: -85.953
flat angles C4'-P-C4' energy: -61.397
flat angles P-C4'-P energy: -51.244
tors. eta vs tors. theta energy: 1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -395.347658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.347658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.347658 (E_RNA)
where:
Base-Base interactions energy: -136.164
where: short stacking energy: -113.942
Base-Backbone interact. energy: 1.229
local terms energy: -260.412813
where:
bonds (distance) C4'-P energy: -73.270
bonds (distance) P-C4' energy: -70.535
flat angles C4'-P-C4' energy: -68.808
flat angles P-C4'-P energy: -45.242
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: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -355.952483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.952483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.952483 (E_RNA)
where:
Base-Base interactions energy: -111.184
where: short stacking energy: -112.474
Base-Backbone interact. energy: 0.408
local terms energy: -245.176692
where:
bonds (distance) C4'-P energy: -71.101
bonds (distance) P-C4' energy: -84.767
flat angles C4'-P-C4' energy: -57.401
flat angles P-C4'-P energy: -40.227
tors. eta vs tors. theta energy: 8.319
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1227.702542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.702542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.702542 (E_RNA)
where:
Base-Base interactions energy: -751.042
where: short stacking energy: -417.819
Base-Backbone interact. energy: -1.973
local terms energy: -474.686758
where:
bonds (distance) C4'-P energy: -87.969
bonds (distance) P-C4' energy: -99.589
flat angles C4'-P-C4' energy: -111.601
flat angles P-C4'-P energy: -56.819
tors. eta vs tors. theta energy: -118.710
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: 8
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1041.193844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.193844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.193844 (E_RNA)
where:
Base-Base interactions energy: -585.540
where: short stacking energy: -375.973
Base-Backbone interact. energy: 3.610
local terms energy: -459.263729
where:
bonds (distance) C4'-P energy: -82.669
bonds (distance) P-C4' energy: -81.711
flat angles C4'-P-C4' energy: -100.130
flat angles P-C4'-P energy: -73.583
tors. eta vs tors. theta energy: -121.170
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: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -910.230683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.230683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.230683 (E_RNA)
where:
Base-Base interactions energy: -497.840
where: short stacking energy: -315.058
Base-Backbone interact. energy: -2.170
local terms energy: -410.220509
where:
bonds (distance) C4'-P energy: -80.102
bonds (distance) P-C4' energy: -91.833
flat angles C4'-P-C4' energy: -89.335
flat angles P-C4'-P energy: -67.051
tors. eta vs tors. theta energy: -81.900
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: 5
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -724.582157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.582157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.582157 (E_RNA)
where:
Base-Base interactions energy: -328.870
where: short stacking energy: -229.405
Base-Backbone interact. energy: -0.070
local terms energy: -395.641959
where:
bonds (distance) C4'-P energy: -90.632
bonds (distance) P-C4' energy: -100.226
flat angles C4'-P-C4' energy: -88.604
flat angles P-C4'-P energy: -66.652
tors. eta vs tors. theta energy: -49.528
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: 5, replica: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -701.893934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.893934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.893934 (E_RNA)
where:
Base-Base interactions energy: -335.855
where: short stacking energy: -228.735
Base-Backbone interact. energy: 2.212
local terms energy: -368.251430
where:
bonds (distance) C4'-P energy: -80.962
bonds (distance) P-C4' energy: -97.560
flat angles C4'-P-C4' energy: -90.128
flat angles P-C4'-P energy: -56.423
tors. eta vs tors. theta energy: -43.179
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: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -499.441909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.441909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.441909 (E_RNA)
where:
Base-Base interactions energy: -207.588
where: short stacking energy: -172.091
Base-Backbone interact. energy: -1.795
local terms energy: -290.059125
where:
bonds (distance) C4'-P energy: -79.882
bonds (distance) P-C4' energy: -80.697
flat angles C4'-P-C4' energy: -66.867
flat angles P-C4'-P energy: -37.580
tors. eta vs tors. theta energy: -25.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -508.193660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.193660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.193660 (E_RNA)
where:
Base-Base interactions energy: -239.116
where: short stacking energy: -166.151
Base-Backbone interact. energy: -1.050
local terms energy: -268.028012
where:
bonds (distance) C4'-P energy: -60.176
bonds (distance) P-C4' energy: -73.253
flat angles C4'-P-C4' energy: -78.414
flat angles P-C4'-P energy: -44.700
tors. eta vs tors. theta energy: -11.484
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: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -391.066023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.066023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.066023 (E_RNA)
where:
Base-Base interactions energy: -133.136
where: short stacking energy: -123.181
Base-Backbone interact. energy: -0.147
local terms energy: -257.782685
where:
bonds (distance) C4'-P energy: -62.566
bonds (distance) P-C4' energy: -75.019
flat angles C4'-P-C4' energy: -74.927
flat angles P-C4'-P energy: -50.813
tors. eta vs tors. theta energy: 5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -386.680115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.680115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.680115 (E_RNA)
where:
Base-Base interactions energy: -145.060
where: short stacking energy: -114.824
Base-Backbone interact. energy: 5.171
local terms energy: -246.791372
where:
bonds (distance) C4'-P energy: -71.665
bonds (distance) P-C4' energy: -78.729
flat angles C4'-P-C4' energy: -75.951
flat angles P-C4'-P energy: -35.260
tors. eta vs tors. theta energy: 14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -368.555467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.555467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.555467 (E_RNA)
where:
Base-Base interactions energy: -102.319
where: short stacking energy: -98.750
Base-Backbone interact. energy: 0.109
local terms energy: -266.345279
where:
bonds (distance) C4'-P energy: -88.923
bonds (distance) P-C4' energy: -83.940
flat angles C4'-P-C4' energy: -65.312
flat angles P-C4'-P energy: -27.614
tors. eta vs tors. theta energy: -0.557
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1204.288216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.288216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.288216 (E_RNA)
where:
Base-Base interactions energy: -723.961
where: short stacking energy: -447.855
Base-Backbone interact. energy: 0.078
local terms energy: -480.405393
where:
bonds (distance) C4'-P energy: -90.266
bonds (distance) P-C4' energy: -84.325
flat angles C4'-P-C4' energy: -105.974
flat angles P-C4'-P energy: -68.955
tors. eta vs tors. theta energy: -130.886
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: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1112.398968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.398968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.398968 (E_RNA)
where:
Base-Base interactions energy: -646.005
where: short stacking energy: -382.359
Base-Backbone interact. energy: 1.968
local terms energy: -468.362101
where:
bonds (distance) C4'-P energy: -95.835
bonds (distance) P-C4' energy: -90.134
flat angles C4'-P-C4' energy: -102.091
flat angles P-C4'-P energy: -71.342
tors. eta vs tors. theta energy: -108.960
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: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -901.154925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.154925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.154925 (E_RNA)
where:
Base-Base interactions energy: -487.238
where: short stacking energy: -284.956
Base-Backbone interact. energy: 1.250
local terms energy: -415.166550
where:
bonds (distance) C4'-P energy: -89.166
bonds (distance) P-C4' energy: -95.299
flat angles C4'-P-C4' energy: -88.314
flat angles P-C4'-P energy: -74.651
tors. eta vs tors. theta energy: -67.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -767.935900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.935900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.935900 (E_RNA)
where:
Base-Base interactions energy: -371.235
where: short stacking energy: -268.342
Base-Backbone interact. energy: -0.891
local terms energy: -395.810555
where:
bonds (distance) C4'-P energy: -84.679
bonds (distance) P-C4' energy: -96.398
flat angles C4'-P-C4' energy: -87.493
flat angles P-C4'-P energy: -62.845
tors. eta vs tors. theta energy: -64.394
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: 342
Temperature: 1.100000
Total energy: -665.657367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.657367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.657367 (E_RNA)
where:
Base-Base interactions energy: -342.611
where: short stacking energy: -221.761
Base-Backbone interact. energy: -2.337
local terms energy: -320.709547
where:
bonds (distance) C4'-P energy: -77.446
bonds (distance) P-C4' energy: -84.503
flat angles C4'-P-C4' energy: -72.347
flat angles P-C4'-P energy: -50.612
tors. eta vs tors. theta energy: -35.800
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: 6, replica: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -531.821590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.821590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.821590 (E_RNA)
where:
Base-Base interactions energy: -218.525
where: short stacking energy: -163.138
Base-Backbone interact. energy: -2.041
local terms energy: -311.255172
where:
bonds (distance) C4'-P energy: -72.426
bonds (distance) P-C4' energy: -81.351
flat angles C4'-P-C4' energy: -76.756
flat angles P-C4'-P energy: -57.888
tors. eta vs tors. theta energy: -22.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -537.510148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.510148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.510148 (E_RNA)
where:
Base-Base interactions energy: -240.218
where: short stacking energy: -179.600
Base-Backbone interact. energy: -0.616
local terms energy: -296.676472
where:
bonds (distance) C4'-P energy: -86.654
bonds (distance) P-C4' energy: -84.266
flat angles C4'-P-C4' energy: -81.095
flat angles P-C4'-P energy: -29.601
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -437.298245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.298245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.298245 (E_RNA)
where:
Base-Base interactions energy: -160.728
where: short stacking energy: -131.125
Base-Backbone interact. energy: 0.604
local terms energy: -277.174271
where:
bonds (distance) C4'-P energy: -83.057
bonds (distance) P-C4' energy: -86.097
flat angles C4'-P-C4' energy: -77.214
flat angles P-C4'-P energy: -36.358
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: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -390.345633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.345633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.345633 (E_RNA)
where:
Base-Base interactions energy: -154.054
where: short stacking energy: -126.998
Base-Backbone interact. energy: -0.508
local terms energy: -235.783427
where:
bonds (distance) C4'-P energy: -68.211
bonds (distance) P-C4' energy: -74.665
flat angles C4'-P-C4' energy: -52.942
flat angles P-C4'-P energy: -43.907
tors. eta vs tors. theta energy: 3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -344.565574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.565574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.565574 (E_RNA)
where:
Base-Base interactions energy: -95.677
where: short stacking energy: -93.363
Base-Backbone interact. energy: -0.419
local terms energy: -248.469462
where:
bonds (distance) C4'-P energy: -72.981
bonds (distance) P-C4' energy: -79.688
flat angles C4'-P-C4' energy: -70.352
flat angles P-C4'-P energy: -31.971
tors. eta vs tors. theta energy: 6.522
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1230.789382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.789382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.789382 (E_RNA)
where:
Base-Base interactions energy: -743.776
where: short stacking energy: -438.433
Base-Backbone interact. energy: -1.871
local terms energy: -485.142376
where:
bonds (distance) C4'-P energy: -94.170
bonds (distance) P-C4' energy: -98.713
flat angles C4'-P-C4' energy: -104.074
flat angles P-C4'-P energy: -59.549
tors. eta vs tors. theta energy: -128.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1132.483457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.483457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.483457 (E_RNA)
where:
Base-Base interactions energy: -678.423
where: short stacking energy: -413.487
Base-Backbone interact. energy: 2.024
local terms energy: -456.085178
where:
bonds (distance) C4'-P energy: -80.769
bonds (distance) P-C4' energy: -90.117
flat angles C4'-P-C4' energy: -99.305
flat angles P-C4'-P energy: -66.494
tors. eta vs tors. theta energy: -119.401
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: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -902.143411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.143411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.143411 (E_RNA)
where:
Base-Base interactions energy: -469.943
where: short stacking energy: -285.428
Base-Backbone interact. energy: -1.313
local terms energy: -430.887028
where:
bonds (distance) C4'-P energy: -80.179
bonds (distance) P-C4' energy: -105.345
flat angles C4'-P-C4' energy: -84.361
flat angles P-C4'-P energy: -63.662
tors. eta vs tors. theta energy: -97.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -761.037732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.037732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.037732 (E_RNA)
where:
Base-Base interactions energy: -384.176
where: short stacking energy: -239.465
Base-Backbone interact. energy: 0.628
local terms energy: -377.489661
where:
bonds (distance) C4'-P energy: -82.040
bonds (distance) P-C4' energy: -93.892
flat angles C4'-P-C4' energy: -84.889
flat angles P-C4'-P energy: -64.288
tors. eta vs tors. theta energy: -52.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -668.179980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.179980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.179980 (E_RNA)
where:
Base-Base interactions energy: -314.417
where: short stacking energy: -229.113
Base-Backbone interact. energy: -0.610
local terms energy: -353.152808
where:
bonds (distance) C4'-P energy: -74.494
bonds (distance) P-C4' energy: -87.634
flat angles C4'-P-C4' energy: -89.136
flat angles P-C4'-P energy: -62.850
tors. eta vs tors. theta energy: -39.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -544.182994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.182994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.182994 (E_RNA)
where:
Base-Base interactions energy: -230.689
where: short stacking energy: -178.968
Base-Backbone interact. energy: -1.014
local terms energy: -312.480555
where:
bonds (distance) C4'-P energy: -76.708
bonds (distance) P-C4' energy: -86.534
flat angles C4'-P-C4' energy: -83.501
flat angles P-C4'-P energy: -42.718
tors. eta vs tors. theta energy: -23.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -487.427175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.427175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.427175 (E_RNA)
where:
Base-Base interactions energy: -204.568
where: short stacking energy: -171.656
Base-Backbone interact. energy: -0.709
local terms energy: -282.150205
where:
bonds (distance) C4'-P energy: -67.856
bonds (distance) P-C4' energy: -71.754
flat angles C4'-P-C4' energy: -88.854
flat angles P-C4'-P energy: -40.536
tors. eta vs tors. theta energy: -13.150
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: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -406.425249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.425249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.425249 (E_RNA)
where:
Base-Base interactions energy: -141.948
where: short stacking energy: -111.819
Base-Backbone interact. energy: -0.482
local terms energy: -263.995454
where:
bonds (distance) C4'-P energy: -86.253
bonds (distance) P-C4' energy: -74.097
flat angles C4'-P-C4' energy: -74.871
flat angles P-C4'-P energy: -36.373
tors. eta vs tors. theta energy: 7.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -386.522334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.522334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.522334 (E_RNA)
where:
Base-Base interactions energy: -118.799
where: short stacking energy: -98.869
Base-Backbone interact. energy: 0.641
local terms energy: -268.364753
where:
bonds (distance) C4'-P energy: -72.523
bonds (distance) P-C4' energy: -85.223
flat angles C4'-P-C4' energy: -73.863
flat angles P-C4'-P energy: -47.744
tors. eta vs tors. theta energy: 10.989
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: 10, replica: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -350.579051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.579051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.579051 (E_RNA)
where:
Base-Base interactions energy: -118.071
where: short stacking energy: -110.448
Base-Backbone interact. energy: 0.849
local terms energy: -233.356541
where:
bonds (distance) C4'-P energy: -63.674
bonds (distance) P-C4' energy: -72.196
flat angles C4'-P-C4' energy: -75.395
flat angles P-C4'-P energy: -41.183
tors. eta vs tors. theta energy: 19.092
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1247.187378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.187378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.187378 (E_RNA)
where:
Base-Base interactions energy: -764.038
where: short stacking energy: -447.355
Base-Backbone interact. energy: -0.780
local terms energy: -482.369948
where:
bonds (distance) C4'-P energy: -79.582
bonds (distance) P-C4' energy: -93.738
flat angles C4'-P-C4' energy: -99.730
flat angles P-C4'-P energy: -65.241
tors. eta vs tors. theta energy: -144.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1175.712197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.712197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.712197 (E_RNA)
where:
Base-Base interactions energy: -698.995
where: short stacking energy: -415.452
Base-Backbone interact. energy: 0.035
local terms energy: -476.752197
where:
bonds (distance) C4'-P energy: -90.539
bonds (distance) P-C4' energy: -89.108
flat angles C4'-P-C4' energy: -101.980
flat angles P-C4'-P energy: -69.527
tors. eta vs tors. theta energy: -125.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -932.680757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.680757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.680757 (E_RNA)
where:
Base-Base interactions energy: -518.560
where: short stacking energy: -334.508
Base-Backbone interact. energy: -1.369
local terms energy: -412.751707
where:
bonds (distance) C4'-P energy: -78.098
bonds (distance) P-C4' energy: -88.826
flat angles C4'-P-C4' energy: -94.347
flat angles P-C4'-P energy: -67.332
tors. eta vs tors. theta energy: -84.149
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: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -768.555125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.555125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.555125 (E_RNA)
where:
Base-Base interactions energy: -381.974
where: short stacking energy: -237.217
Base-Backbone interact. energy: -1.286
local terms energy: -385.295832
where:
bonds (distance) C4'-P energy: -83.534
bonds (distance) P-C4' energy: -88.357
flat angles C4'-P-C4' energy: -103.149
flat angles P-C4'-P energy: -52.192
tors. eta vs tors. theta energy: -58.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -745.328636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.328636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.328636 (E_RNA)
where:
Base-Base interactions energy: -358.090
where: short stacking energy: -244.940
Base-Backbone interact. energy: -0.592
local terms energy: -386.646637
where:
bonds (distance) C4'-P energy: -95.995
bonds (distance) P-C4' energy: -87.302
flat angles C4'-P-C4' energy: -78.424
flat angles P-C4'-P energy: -67.780
tors. eta vs tors. theta energy: -57.146
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: 2
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -547.659093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.659093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.659093 (E_RNA)
where:
Base-Base interactions energy: -224.620
where: short stacking energy: -157.934
Base-Backbone interact. energy: 0.692
local terms energy: -323.731343
where:
bonds (distance) C4'-P energy: -87.692
bonds (distance) P-C4' energy: -103.547
flat angles C4'-P-C4' energy: -63.773
flat angles P-C4'-P energy: -55.973
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: 7, replica: 1
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -481.867863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.867863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.867863 (E_RNA)
where:
Base-Base interactions energy: -211.046
where: short stacking energy: -176.968
Base-Backbone interact. energy: -0.043
local terms energy: -270.778393
where:
bonds (distance) C4'-P energy: -64.729
bonds (distance) P-C4' energy: -73.177
flat angles C4'-P-C4' energy: -81.204
flat angles P-C4'-P energy: -40.630
tors. eta vs tors. theta energy: -11.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -387.153539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.153539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.153539 (E_RNA)
where:
Base-Base interactions energy: -121.197
where: short stacking energy: -97.953
Base-Backbone interact. energy: 1.362
local terms energy: -267.318527
where:
bonds (distance) C4'-P energy: -85.431
bonds (distance) P-C4' energy: -82.691
flat angles C4'-P-C4' energy: -59.910
flat angles P-C4'-P energy: -45.955
tors. eta vs tors. theta energy: 6.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -407.582939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.582939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.582939 (E_RNA)
where:
Base-Base interactions energy: -136.519
where: short stacking energy: -111.006
Base-Backbone interact. energy: -0.915
local terms energy: -270.149218
where:
bonds (distance) C4'-P energy: -85.542
bonds (distance) P-C4' energy: -87.307
flat angles C4'-P-C4' energy: -56.379
flat angles P-C4'-P energy: -35.721
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -350.141088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.141088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.141088 (E_RNA)
where:
Base-Base interactions energy: -117.478
where: short stacking energy: -93.987
Base-Backbone interact. energy: 0.772
local terms energy: -233.435105
where:
bonds (distance) C4'-P energy: -68.673
bonds (distance) P-C4' energy: -68.894
flat angles C4'-P-C4' energy: -70.540
flat angles P-C4'-P energy: -51.861
tors. eta vs tors. theta energy: 26.533
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1213.479549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.479549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.479549 (E_RNA)
where:
Base-Base interactions energy: -730.444
where: short stacking energy: -430.958
Base-Backbone interact. energy: 0.165
local terms energy: -483.200154
where:
bonds (distance) C4'-P energy: -88.040
bonds (distance) P-C4' energy: -100.497
flat angles C4'-P-C4' energy: -103.321
flat angles P-C4'-P energy: -62.595
tors. eta vs tors. theta energy: -128.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1117.882973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.882973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.882973 (E_RNA)
where:
Base-Base interactions energy: -647.298
where: short stacking energy: -396.944
Base-Backbone interact. energy: 0.467
local terms energy: -471.052264
where:
bonds (distance) C4'-P energy: -89.249
bonds (distance) P-C4' energy: -91.612
flat angles C4'-P-C4' energy: -96.355
flat angles P-C4'-P energy: -69.875
tors. eta vs tors. theta energy: -123.961
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: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -945.615467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.615467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.615467 (E_RNA)
where:
Base-Base interactions energy: -526.096
where: short stacking energy: -318.018
Base-Backbone interact. energy: -1.420
local terms energy: -418.099522
where:
bonds (distance) C4'-P energy: -90.374
bonds (distance) P-C4' energy: -89.659
flat angles C4'-P-C4' energy: -93.118
flat angles P-C4'-P energy: -53.952
tors. eta vs tors. theta energy: -90.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -775.919439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.919439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.919439 (E_RNA)
where:
Base-Base interactions energy: -397.468
where: short stacking energy: -277.129
Base-Backbone interact. energy: 3.698
local terms energy: -382.149206
where:
bonds (distance) C4'-P energy: -82.196
bonds (distance) P-C4' energy: -87.146
flat angles C4'-P-C4' energy: -94.506
flat angles P-C4'-P energy: -53.830
tors. eta vs tors. theta energy: -64.472
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: 345
Temperature: 1.100000
Total energy: -723.534492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.534492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.534492 (E_RNA)
where:
Base-Base interactions energy: -352.760
where: short stacking energy: -255.998
Base-Backbone interact. energy: 0.340
local terms energy: -371.114492
where:
bonds (distance) C4'-P energy: -84.603
bonds (distance) P-C4' energy: -95.618
flat angles C4'-P-C4' energy: -76.512
flat angles P-C4'-P energy: -62.097
tors. eta vs tors. theta energy: -52.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -583.829411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.829411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.829411 (E_RNA)
where:
Base-Base interactions energy: -269.697
where: short stacking energy: -191.326
Base-Backbone interact. energy: 0.833
local terms energy: -314.966184
where:
bonds (distance) C4'-P energy: -71.075
bonds (distance) P-C4' energy: -91.723
flat angles C4'-P-C4' energy: -80.244
flat angles P-C4'-P energy: -40.853
tors. eta vs tors. theta energy: -31.071
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: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -474.505858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.505858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.505858 (E_RNA)
where:
Base-Base interactions energy: -196.679
where: short stacking energy: -176.197
Base-Backbone interact. energy: 0.084
local terms energy: -277.910736
where:
bonds (distance) C4'-P energy: -75.309
bonds (distance) P-C4' energy: -81.286
flat angles C4'-P-C4' energy: -71.315
flat angles P-C4'-P energy: -44.063
tors. eta vs tors. theta energy: -5.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -427.178665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.178665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.178665 (E_RNA)
where:
Base-Base interactions energy: -139.166
where: short stacking energy: -118.066
Base-Backbone interact. energy: 2.225
local terms energy: -290.237619
where:
bonds (distance) C4'-P energy: -87.120
bonds (distance) P-C4' energy: -73.820
flat angles C4'-P-C4' energy: -73.415
flat angles P-C4'-P energy: -53.019
tors. eta vs tors. theta energy: -2.863
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: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -379.319485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.319485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.319485 (E_RNA)
where:
Base-Base interactions energy: -126.204
where: short stacking energy: -126.286
Base-Backbone interact. energy: 1.989
local terms energy: -255.104749
where:
bonds (distance) C4'-P energy: -80.708
bonds (distance) P-C4' energy: -81.167
flat angles C4'-P-C4' energy: -55.156
flat angles P-C4'-P energy: -42.198
tors. eta vs tors. theta energy: 4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -345.619153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.619153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.619153 (E_RNA)
where:
Base-Base interactions energy: -97.486
where: short stacking energy: -85.336
Base-Backbone interact. energy: -0.101
local terms energy: -248.032090
where:
bonds (distance) C4'-P energy: -73.217
bonds (distance) P-C4' energy: -72.798
flat angles C4'-P-C4' energy: -85.623
flat angles P-C4'-P energy: -38.705
tors. eta vs tors. theta energy: 22.312
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1213.504159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.504159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.504159 (E_RNA)
where:
Base-Base interactions energy: -714.758
where: short stacking energy: -417.134
Base-Backbone interact. energy: -0.400
local terms energy: -498.345489
where:
bonds (distance) C4'-P energy: -93.601
bonds (distance) P-C4' energy: -101.180
flat angles C4'-P-C4' energy: -104.665
flat angles P-C4'-P energy: -69.512
tors. eta vs tors. theta energy: -129.387
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: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1103.987589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.987589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.987589 (E_RNA)
where:
Base-Base interactions energy: -632.706
where: short stacking energy: -372.543
Base-Backbone interact. energy: -0.340
local terms energy: -470.941865
where:
bonds (distance) C4'-P energy: -94.504
bonds (distance) P-C4' energy: -100.460
flat angles C4'-P-C4' energy: -86.063
flat angles P-C4'-P energy: -71.213
tors. eta vs tors. theta energy: -118.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -923.883576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.883576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.883576 (E_RNA)
where:
Base-Base interactions energy: -540.628
where: short stacking energy: -332.168
Base-Backbone interact. energy: 1.931
local terms energy: -385.185830
where:
bonds (distance) C4'-P energy: -88.571
bonds (distance) P-C4' energy: -86.535
flat angles C4'-P-C4' energy: -79.502
flat angles P-C4'-P energy: -48.051
tors. eta vs tors. theta energy: -82.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -796.499050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.499050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.499050 (E_RNA)
where:
Base-Base interactions energy: -414.886
where: short stacking energy: -287.230
Base-Backbone interact. energy: 0.735
local terms energy: -382.347917
where:
bonds (distance) C4'-P energy: -76.902
bonds (distance) P-C4' energy: -93.591
flat angles C4'-P-C4' energy: -92.980
flat angles P-C4'-P energy: -53.822
tors. eta vs tors. theta energy: -65.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -659.694735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.694735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.694735 (E_RNA)
where:
Base-Base interactions energy: -334.655
where: short stacking energy: -225.348
Base-Backbone interact. energy: 2.451
local terms energy: -327.490319
where:
bonds (distance) C4'-P energy: -91.355
bonds (distance) P-C4' energy: -82.502
flat angles C4'-P-C4' energy: -66.185
flat angles P-C4'-P energy: -41.010
tors. eta vs tors. theta energy: -46.439
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: 6, replica: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -555.675349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.675349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.675349 (E_RNA)
where:
Base-Base interactions energy: -258.013
where: short stacking energy: -195.918
Base-Backbone interact. energy: 1.397
local terms energy: -299.059500
where:
bonds (distance) C4'-P energy: -78.240
bonds (distance) P-C4' energy: -85.302
flat angles C4'-P-C4' energy: -62.937
flat angles P-C4'-P energy: -47.584
tors. eta vs tors. theta energy: -24.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -444.276878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.276878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.276878 (E_RNA)
where:
Base-Base interactions energy: -152.715
where: short stacking energy: -144.132
Base-Backbone interact. energy: 0.423
local terms energy: -291.985639
where:
bonds (distance) C4'-P energy: -76.456
bonds (distance) P-C4' energy: -99.968
flat angles C4'-P-C4' energy: -53.462
flat angles P-C4'-P energy: -54.631
tors. eta vs tors. theta energy: -7.469
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: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -401.225451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.225451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.225451 (E_RNA)
where:
Base-Base interactions energy: -134.634
where: short stacking energy: -111.650
Base-Backbone interact. energy: -0.252
local terms energy: -266.339207
where:
bonds (distance) C4'-P energy: -78.959
bonds (distance) P-C4' energy: -76.664
flat angles C4'-P-C4' energy: -76.186
flat angles P-C4'-P energy: -46.464
tors. eta vs tors. theta energy: 11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -411.639332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.639332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.639332 (E_RNA)
where:
Base-Base interactions energy: -169.491
where: short stacking energy: -127.535
Base-Backbone interact. energy: 0.086
local terms energy: -242.233719
where:
bonds (distance) C4'-P energy: -64.891
bonds (distance) P-C4' energy: -84.961
flat angles C4'-P-C4' energy: -49.339
flat angles P-C4'-P energy: -45.953
tors. eta vs tors. theta energy: 2.911
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: 346
Temperature: 1.350000
Total energy: -352.625826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.625826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.625826 (E_RNA)
where:
Base-Base interactions energy: -127.591
where: short stacking energy: -108.973
Base-Backbone interact. energy: -0.777
local terms energy: -224.257910
where:
bonds (distance) C4'-P energy: -69.078
bonds (distance) P-C4' energy: -87.186
flat angles C4'-P-C4' energy: -58.810
flat angles P-C4'-P energy: -22.202
tors. eta vs tors. theta energy: 13.018
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1240.471311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.471311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.471311 (E_RNA)
where:
Base-Base interactions energy: -728.092
where: short stacking energy: -441.278
Base-Backbone interact. energy: -0.744
local terms energy: -511.634979
where:
bonds (distance) C4'-P energy: -93.646
bonds (distance) P-C4' energy: -97.374
flat angles C4'-P-C4' energy: -104.548
flat angles P-C4'-P energy: -79.422
tors. eta vs tors. theta energy: -136.645
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: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1115.631859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.631859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.631859 (E_RNA)
where:
Base-Base interactions energy: -647.317
where: short stacking energy: -372.207
Base-Backbone interact. energy: -0.231
local terms energy: -468.084228
where:
bonds (distance) C4'-P energy: -88.062
bonds (distance) P-C4' energy: -96.652
flat angles C4'-P-C4' energy: -103.568
flat angles P-C4'-P energy: -66.639
tors. eta vs tors. theta energy: -113.164
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: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -947.513349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.513349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.513349 (E_RNA)
where:
Base-Base interactions energy: -534.770
where: short stacking energy: -333.538
Base-Backbone interact. energy: -1.044
local terms energy: -411.699728
where:
bonds (distance) C4'-P energy: -89.477
bonds (distance) P-C4' energy: -93.245
flat angles C4'-P-C4' energy: -95.563
flat angles P-C4'-P energy: -58.935
tors. eta vs tors. theta energy: -74.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -778.846329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.846329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.846329 (E_RNA)
where:
Base-Base interactions energy: -404.343
where: short stacking energy: -276.772
Base-Backbone interact. energy: -0.944
local terms energy: -373.559506
where:
bonds (distance) C4'-P energy: -81.106
bonds (distance) P-C4' energy: -85.884
flat angles C4'-P-C4' energy: -86.567
flat angles P-C4'-P energy: -52.095
tors. eta vs tors. theta energy: -67.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -690.108648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.108648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.108648 (E_RNA)
where:
Base-Base interactions energy: -330.291
where: short stacking energy: -218.045
Base-Backbone interact. energy: -0.919
local terms energy: -358.898718
where:
bonds (distance) C4'-P energy: -86.624
bonds (distance) P-C4' energy: -86.715
flat angles C4'-P-C4' energy: -80.020
flat angles P-C4'-P energy: -55.881
tors. eta vs tors. theta energy: -49.659
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: 2
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -590.501213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.501213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.501213 (E_RNA)
where:
Base-Base interactions energy: -248.845
where: short stacking energy: -185.810
Base-Backbone interact. energy: -1.790
local terms energy: -339.866496
where:
bonds (distance) C4'-P energy: -88.088
bonds (distance) P-C4' energy: -86.888
flat angles C4'-P-C4' energy: -70.876
flat angles P-C4'-P energy: -55.830
tors. eta vs tors. theta energy: -38.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -446.829309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.829309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.829309 (E_RNA)
where:
Base-Base interactions energy: -175.790
where: short stacking energy: -148.347
Base-Backbone interact. energy: -1.063
local terms energy: -269.976741
where:
bonds (distance) C4'-P energy: -64.418
bonds (distance) P-C4' energy: -80.425
flat angles C4'-P-C4' energy: -86.225
flat angles P-C4'-P energy: -38.931
tors. eta vs tors. theta energy: 0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -388.251506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.251506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.251506 (E_RNA)
where:
Base-Base interactions energy: -123.028
where: short stacking energy: -112.480
Base-Backbone interact. energy: -2.104
local terms energy: -263.119939
where:
bonds (distance) C4'-P energy: -80.882
bonds (distance) P-C4' energy: -77.454
flat angles C4'-P-C4' energy: -67.351
flat angles P-C4'-P energy: -40.299
tors. eta vs tors. theta energy: 2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -377.560488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.560488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.560488 (E_RNA)
where:
Base-Base interactions energy: -115.163
where: short stacking energy: -98.944
Base-Backbone interact. energy: 2.434
local terms energy: -264.831345
where:
bonds (distance) C4'-P energy: -87.215
bonds (distance) P-C4' energy: -81.432
flat angles C4'-P-C4' energy: -59.126
flat angles P-C4'-P energy: -49.461
tors. eta vs tors. theta energy: 12.403
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: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -332.762649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.762649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.762649 (E_RNA)
where:
Base-Base interactions energy: -117.286
where: short stacking energy: -97.854
Base-Backbone interact. energy: 5.197
local terms energy: -220.673390
where:
bonds (distance) C4'-P energy: -73.754
bonds (distance) P-C4' energy: -77.753
flat angles C4'-P-C4' energy: -70.381
flat angles P-C4'-P energy: -18.671
tors. eta vs tors. theta energy: 19.885
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1245.889938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.889938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.889938 (E_RNA)
where:
Base-Base interactions energy: -760.577
where: short stacking energy: -424.067
Base-Backbone interact. energy: 0.662
local terms energy: -485.975253
where:
bonds (distance) C4'-P energy: -96.299
bonds (distance) P-C4' energy: -99.700
flat angles C4'-P-C4' energy: -106.275
flat angles P-C4'-P energy: -57.521
tors. eta vs tors. theta energy: -126.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1099.259256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.259256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.259256 (E_RNA)
where:
Base-Base interactions energy: -653.184
where: short stacking energy: -382.266
Base-Backbone interact. energy: 0.122
local terms energy: -446.196622
where:
bonds (distance) C4'-P energy: -77.271
bonds (distance) P-C4' energy: -92.289
flat angles C4'-P-C4' energy: -99.231
flat angles P-C4'-P energy: -60.627
tors. eta vs tors. theta energy: -116.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -895.482488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.482488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.482488 (E_RNA)
where:
Base-Base interactions energy: -496.152
where: short stacking energy: -302.289
Base-Backbone interact. energy: -1.565
local terms energy: -397.765646
where:
bonds (distance) C4'-P energy: -83.794
bonds (distance) P-C4' energy: -93.341
flat angles C4'-P-C4' energy: -88.715
flat angles P-C4'-P energy: -61.659
tors. eta vs tors. theta energy: -70.256
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: 4, replica: 5
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -793.514434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.514434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.514434 (E_RNA)
where:
Base-Base interactions energy: -411.203
where: short stacking energy: -276.932
Base-Backbone interact. energy: -0.820
local terms energy: -381.491893
where:
bonds (distance) C4'-P energy: -91.157
bonds (distance) P-C4' energy: -79.188
flat angles C4'-P-C4' energy: -93.462
flat angles P-C4'-P energy: -53.489
tors. eta vs tors. theta energy: -64.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -722.607963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.607963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.607963 (E_RNA)
where:
Base-Base interactions energy: -357.513
where: short stacking energy: -246.168
Base-Backbone interact. energy: -1.146
local terms energy: -363.949034
where:
bonds (distance) C4'-P energy: -91.706
bonds (distance) P-C4' energy: -96.166
flat angles C4'-P-C4' energy: -83.875
flat angles P-C4'-P energy: -48.570
tors. eta vs tors. theta energy: -43.631
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: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -576.954586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.954586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.954586 (E_RNA)
where:
Base-Base interactions energy: -266.322
where: short stacking energy: -201.690
Base-Backbone interact. energy: -0.480
local terms energy: -310.153472
where:
bonds (distance) C4'-P energy: -79.534
bonds (distance) P-C4' energy: -83.419
flat angles C4'-P-C4' energy: -83.944
flat angles P-C4'-P energy: -36.525
tors. eta vs tors. theta energy: -26.732
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: 7
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -437.203687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.203687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.203687 (E_RNA)
where:
Base-Base interactions energy: -157.526
where: short stacking energy: -127.575
Base-Backbone interact. energy: -0.716
local terms energy: -278.961541
where:
bonds (distance) C4'-P energy: -84.410
bonds (distance) P-C4' energy: -88.897
flat angles C4'-P-C4' energy: -55.392
flat angles P-C4'-P energy: -49.061
tors. eta vs tors. theta energy: -1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -412.054887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.054887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.054887 (E_RNA)
where:
Base-Base interactions energy: -133.671
where: short stacking energy: -102.465
Base-Backbone interact. energy: 0.961
local terms energy: -279.345109
where:
bonds (distance) C4'-P energy: -87.166
bonds (distance) P-C4' energy: -77.452
flat angles C4'-P-C4' energy: -78.843
flat angles P-C4'-P energy: -39.845
tors. eta vs tors. theta energy: 3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -408.338602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.338602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.338602 (E_RNA)
where:
Base-Base interactions energy: -143.703
where: short stacking energy: -112.795
Base-Backbone interact. energy: 2.850
local terms energy: -267.485806
where:
bonds (distance) C4'-P energy: -69.959
bonds (distance) P-C4' energy: -83.635
flat angles C4'-P-C4' energy: -77.073
flat angles P-C4'-P energy: -39.677
tors. eta vs tors. theta energy: 2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -357.173912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.173912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.173912 (E_RNA)
where:
Base-Base interactions energy: -133.288
where: short stacking energy: -120.354
Base-Backbone interact. energy: -2.334
local terms energy: -221.551593
where:
bonds (distance) C4'-P energy: -48.426
bonds (distance) P-C4' energy: -71.999
flat angles C4'-P-C4' energy: -60.843
flat angles P-C4'-P energy: -46.394
tors. eta vs tors. theta energy: 6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1255.958370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.958370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.958370 (E_RNA)
where:
Base-Base interactions energy: -760.808
where: short stacking energy: -432.314
Base-Backbone interact. energy: -1.515
local terms energy: -493.634591
where:
bonds (distance) C4'-P energy: -89.432
bonds (distance) P-C4' energy: -92.208
flat angles C4'-P-C4' energy: -103.467
flat angles P-C4'-P energy: -72.392
tors. eta vs tors. theta energy: -136.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1125.897507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.897507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.897507 (E_RNA)
where:
Base-Base interactions energy: -660.938
where: short stacking energy: -391.414
Base-Backbone interact. energy: 1.411
local terms energy: -466.370073
where:
bonds (distance) C4'-P energy: -97.794
bonds (distance) P-C4' energy: -95.716
flat angles C4'-P-C4' energy: -103.295
flat angles P-C4'-P energy: -54.705
tors. eta vs tors. theta energy: -114.859
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: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -888.883900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.883900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.883900 (E_RNA)
where:
Base-Base interactions energy: -482.291
where: short stacking energy: -314.216
Base-Backbone interact. energy: -2.181
local terms energy: -404.411257
where:
bonds (distance) C4'-P energy: -91.117
bonds (distance) P-C4' energy: -99.263
flat angles C4'-P-C4' energy: -88.465
flat angles P-C4'-P energy: -55.482
tors. eta vs tors. theta energy: -70.084
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: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -811.794640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.794640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.794640 (E_RNA)
where:
Base-Base interactions energy: -428.252
where: short stacking energy: -293.698
Base-Backbone interact. energy: 0.574
local terms energy: -384.117400
where:
bonds (distance) C4'-P energy: -85.094
bonds (distance) P-C4' energy: -88.160
flat angles C4'-P-C4' energy: -86.408
flat angles P-C4'-P energy: -58.375
tors. eta vs tors. theta energy: -66.080
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: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -705.195309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.195309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.195309 (E_RNA)
where:
Base-Base interactions energy: -345.301
where: short stacking energy: -239.686
Base-Backbone interact. energy: -2.263
local terms energy: -357.631741
where:
bonds (distance) C4'-P energy: -96.705
bonds (distance) P-C4' energy: -83.879
flat angles C4'-P-C4' energy: -88.299
flat angles P-C4'-P energy: -45.378
tors. eta vs tors. theta energy: -43.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -549.111608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.111608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.111608 (E_RNA)
where:
Base-Base interactions energy: -236.198
where: short stacking energy: -175.021
Base-Backbone interact. energy: 0.225
local terms energy: -313.138751
where:
bonds (distance) C4'-P energy: -79.817
bonds (distance) P-C4' energy: -88.378
flat angles C4'-P-C4' energy: -68.316
flat angles P-C4'-P energy: -51.312
tors. eta vs tors. theta energy: -25.316
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: 7
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -455.744783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.744783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.744783 (E_RNA)
where:
Base-Base interactions energy: -167.575
where: short stacking energy: -142.893
Base-Backbone interact. energy: -0.458
local terms energy: -287.711699
where:
bonds (distance) C4'-P energy: -75.692
bonds (distance) P-C4' energy: -91.530
flat angles C4'-P-C4' energy: -69.641
flat angles P-C4'-P energy: -52.918
tors. eta vs tors. theta energy: 2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -396.533521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.533521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.533521 (E_RNA)
where:
Base-Base interactions energy: -132.689
where: short stacking energy: -117.814
Base-Backbone interact. energy: 0.898
local terms energy: -264.743206
where:
bonds (distance) C4'-P energy: -73.005
bonds (distance) P-C4' energy: -69.670
flat angles C4'-P-C4' energy: -79.326
flat angles P-C4'-P energy: -43.704
tors. eta vs tors. theta energy: 0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -393.067681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.067681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.067681 (E_RNA)
where:
Base-Base interactions energy: -118.818
where: short stacking energy: -102.199
Base-Backbone interact. energy: -0.211
local terms energy: -274.038987
where:
bonds (distance) C4'-P energy: -88.723
bonds (distance) P-C4' energy: -84.338
flat angles C4'-P-C4' energy: -75.923
flat angles P-C4'-P energy: -41.246
tors. eta vs tors. theta energy: 16.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -345.104194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.104194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.104194 (E_RNA)
where:
Base-Base interactions energy: -99.487
where: short stacking energy: -88.263
Base-Backbone interact. energy: 3.462
local terms energy: -249.078971
where:
bonds (distance) C4'-P energy: -72.905
bonds (distance) P-C4' energy: -79.239
flat angles C4'-P-C4' energy: -64.207
flat angles P-C4'-P energy: -33.812
tors. eta vs tors. theta energy: 1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1242.789476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.789476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.789476 (E_RNA)
where:
Base-Base interactions energy: -753.122
where: short stacking energy: -441.679
Base-Backbone interact. energy: -1.919
local terms energy: -487.747918
where:
bonds (distance) C4'-P energy: -93.181
bonds (distance) P-C4' energy: -90.757
flat angles C4'-P-C4' energy: -99.015
flat angles P-C4'-P energy: -72.540
tors. eta vs tors. theta energy: -132.256
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: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1150.990402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.990402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.990402 (E_RNA)
where:
Base-Base interactions energy: -661.501
where: short stacking energy: -415.979
Base-Backbone interact. energy: -0.837
local terms energy: -488.651843
where:
bonds (distance) C4'-P energy: -88.260
bonds (distance) P-C4' energy: -108.696
flat angles C4'-P-C4' energy: -107.016
flat angles P-C4'-P energy: -60.236
tors. eta vs tors. theta energy: -124.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -908.274202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.274202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.274202 (E_RNA)
where:
Base-Base interactions energy: -501.375
where: short stacking energy: -274.181
Base-Backbone interact. energy: -1.033
local terms energy: -405.866970
where:
bonds (distance) C4'-P energy: -86.026
bonds (distance) P-C4' energy: -94.838
flat angles C4'-P-C4' energy: -96.373
flat angles P-C4'-P energy: -56.377
tors. eta vs tors. theta energy: -72.253
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: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -807.924429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.924429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.924429 (E_RNA)
where:
Base-Base interactions energy: -435.069
where: short stacking energy: -273.197
Base-Backbone interact. energy: 0.311
local terms energy: -373.166947
where:
bonds (distance) C4'-P energy: -78.008
bonds (distance) P-C4' energy: -83.933
flat angles C4'-P-C4' energy: -95.618
flat angles P-C4'-P energy: -61.222
tors. eta vs tors. theta energy: -54.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -637.228575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.228575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.228575 (E_RNA)
where:
Base-Base interactions energy: -298.732
where: short stacking energy: -194.928
Base-Backbone interact. energy: 1.793
local terms energy: -340.290194
where:
bonds (distance) C4'-P energy: -80.455
bonds (distance) P-C4' energy: -81.293
flat angles C4'-P-C4' energy: -89.783
flat angles P-C4'-P energy: -65.408
tors. eta vs tors. theta energy: -23.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -565.950565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.950565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.950565 (E_RNA)
where:
Base-Base interactions energy: -253.432
where: short stacking energy: -166.611
Base-Backbone interact. energy: 0.968
local terms energy: -313.487041
where:
bonds (distance) C4'-P energy: -82.499
bonds (distance) P-C4' energy: -84.322
flat angles C4'-P-C4' energy: -76.425
flat angles P-C4'-P energy: -47.968
tors. eta vs tors. theta energy: -22.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -456.973112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.973112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.973112 (E_RNA)
where:
Base-Base interactions energy: -169.701
where: short stacking energy: -135.886
Base-Backbone interact. energy: -1.239
local terms energy: -286.033940
where:
bonds (distance) C4'-P energy: -82.644
bonds (distance) P-C4' energy: -79.648
flat angles C4'-P-C4' energy: -76.301
flat angles P-C4'-P energy: -40.463
tors. eta vs tors. theta energy: -6.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -420.363018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.363018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.363018 (E_RNA)
where:
Base-Base interactions energy: -145.334
where: short stacking energy: -121.043
Base-Backbone interact. energy: 1.534
local terms energy: -276.563208
where:
bonds (distance) C4'-P energy: -84.713
bonds (distance) P-C4' energy: -80.588
flat angles C4'-P-C4' energy: -70.949
flat angles P-C4'-P energy: -36.647
tors. eta vs tors. theta energy: -3.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -367.597083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.597083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.597083 (E_RNA)
where:
Base-Base interactions energy: -132.348
where: short stacking energy: -102.927
Base-Backbone interact. energy: 2.439
local terms energy: -237.688413
where:
bonds (distance) C4'-P energy: -85.548
bonds (distance) P-C4' energy: -61.962
flat angles C4'-P-C4' energy: -65.037
flat angles P-C4'-P energy: -24.015
tors. eta vs tors. theta energy: -1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -346.294215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.294215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.294215 (E_RNA)
where:
Base-Base interactions energy: -121.512
where: short stacking energy: -111.390
Base-Backbone interact. energy: -0.807
local terms energy: -223.975464
where:
bonds (distance) C4'-P energy: -59.767
bonds (distance) P-C4' energy: -76.779
flat angles C4'-P-C4' energy: -52.078
flat angles P-C4'-P energy: -36.607
tors. eta vs tors. theta energy: 1.255
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1290.756485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.756485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.756485 (E_RNA)
where:
Base-Base interactions energy: -783.922
where: short stacking energy: -443.417
Base-Backbone interact. energy: -2.193
local terms energy: -504.641654
where:
bonds (distance) C4'-P energy: -91.832
bonds (distance) P-C4' energy: -98.958
flat angles C4'-P-C4' energy: -104.331
flat angles P-C4'-P energy: -63.824
tors. eta vs tors. theta energy: -145.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1142.300666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.300666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.300666 (E_RNA)
where:
Base-Base interactions energy: -674.141
where: short stacking energy: -409.225
Base-Backbone interact. energy: -0.066
local terms energy: -468.093654
where:
bonds (distance) C4'-P energy: -83.660
bonds (distance) P-C4' energy: -96.671
flat angles C4'-P-C4' energy: -98.497
flat angles P-C4'-P energy: -61.993
tors. eta vs tors. theta energy: -127.273
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: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -890.397988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.397988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.397988 (E_RNA)
where:
Base-Base interactions energy: -499.274
where: short stacking energy: -304.873
Base-Backbone interact. energy: -2.072
local terms energy: -389.051904
where:
bonds (distance) C4'-P energy: -74.752
bonds (distance) P-C4' energy: -85.833
flat angles C4'-P-C4' energy: -81.543
flat angles P-C4'-P energy: -64.350
tors. eta vs tors. theta energy: -82.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -790.738132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.738132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.738132 (E_RNA)
where:
Base-Base interactions energy: -406.441
where: short stacking energy: -251.358
Base-Backbone interact. energy: -2.100
local terms energy: -382.197179
where:
bonds (distance) C4'-P energy: -100.923
bonds (distance) P-C4' energy: -92.600
flat angles C4'-P-C4' energy: -90.921
flat angles P-C4'-P energy: -48.227
tors. eta vs tors. theta energy: -49.525
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: 351
Temperature: 1.100000
Total energy: -638.065413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.065413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.065413 (E_RNA)
where:
Base-Base interactions energy: -316.743
where: short stacking energy: -191.828
Base-Backbone interact. energy: -2.916
local terms energy: -318.406545
where:
bonds (distance) C4'-P energy: -90.986
bonds (distance) P-C4' energy: -90.384
flat angles C4'-P-C4' energy: -75.281
flat angles P-C4'-P energy: -44.735
tors. eta vs tors. theta energy: -17.020
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: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -576.915336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.915336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.915336 (E_RNA)
where:
Base-Base interactions energy: -236.235
where: short stacking energy: -182.158
Base-Backbone interact. energy: -0.441
local terms energy: -340.239447
where:
bonds (distance) C4'-P energy: -78.107
bonds (distance) P-C4' energy: -86.053
flat angles C4'-P-C4' energy: -94.803
flat angles P-C4'-P energy: -54.934
tors. eta vs tors. theta energy: -26.343
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: 7
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -495.939293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.939293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.939293 (E_RNA)
where:
Base-Base interactions energy: -204.204
where: short stacking energy: -152.650
Base-Backbone interact. energy: -2.164
local terms energy: -289.571301
where:
bonds (distance) C4'-P energy: -76.238
bonds (distance) P-C4' energy: -94.248
flat angles C4'-P-C4' energy: -87.637
flat angles P-C4'-P energy: -32.843
tors. eta vs tors. theta energy: 1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -417.800943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.800943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.800943 (E_RNA)
where:
Base-Base interactions energy: -142.252
where: short stacking energy: -132.176
Base-Backbone interact. energy: -1.172
local terms energy: -274.376070
where:
bonds (distance) C4'-P energy: -65.433
bonds (distance) P-C4' energy: -85.406
flat angles C4'-P-C4' energy: -79.342
flat angles P-C4'-P energy: -42.943
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: 9, replica: 1
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -383.582994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.582994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.582994 (E_RNA)
where:
Base-Base interactions energy: -110.873
where: short stacking energy: -99.419
Base-Backbone interact. energy: -0.513
local terms energy: -272.196357
where:
bonds (distance) C4'-P energy: -89.509
bonds (distance) P-C4' energy: -88.955
flat angles C4'-P-C4' energy: -69.534
flat angles P-C4'-P energy: -37.489
tors. eta vs tors. theta energy: 13.291
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: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -364.747032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.747032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.747032 (E_RNA)
where:
Base-Base interactions energy: -130.916
where: short stacking energy: -107.654
Base-Backbone interact. energy: 4.118
local terms energy: -237.949257
where:
bonds (distance) C4'-P energy: -73.268
bonds (distance) P-C4' energy: -72.624
flat angles C4'-P-C4' energy: -70.413
flat angles P-C4'-P energy: -25.398
tors. eta vs tors. theta energy: 3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1278.307978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.307978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.307978 (E_RNA)
where:
Base-Base interactions energy: -774.734
where: short stacking energy: -451.070
Base-Backbone interact. energy: -1.241
local terms energy: -502.333022
where:
bonds (distance) C4'-P energy: -83.589
bonds (distance) P-C4' energy: -103.722
flat angles C4'-P-C4' energy: -104.282
flat angles P-C4'-P energy: -68.843
tors. eta vs tors. theta energy: -141.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1190.885001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.885001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.885001 (E_RNA)
where:
Base-Base interactions energy: -708.721
where: short stacking energy: -427.487
Base-Backbone interact. energy: -0.710
local terms energy: -481.454108
where:
bonds (distance) C4'-P energy: -85.590
bonds (distance) P-C4' energy: -90.033
flat angles C4'-P-C4' energy: -106.759
flat angles P-C4'-P energy: -60.911
tors. eta vs tors. theta energy: -138.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -932.190649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.190649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.190649 (E_RNA)
where:
Base-Base interactions energy: -540.705
where: short stacking energy: -308.070
Base-Backbone interact. energy: -1.803
local terms energy: -389.682407
where:
bonds (distance) C4'-P energy: -81.710
bonds (distance) P-C4' energy: -92.764
flat angles C4'-P-C4' energy: -91.760
flat angles P-C4'-P energy: -58.805
tors. eta vs tors. theta energy: -64.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -827.640321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.640321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.640321 (E_RNA)
where:
Base-Base interactions energy: -441.615
where: short stacking energy: -289.792
Base-Backbone interact. energy: -0.180
local terms energy: -385.845721
where:
bonds (distance) C4'-P energy: -83.129
bonds (distance) P-C4' energy: -80.172
flat angles C4'-P-C4' energy: -94.539
flat angles P-C4'-P energy: -60.983
tors. eta vs tors. theta energy: -67.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -681.472026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.472026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.472026 (E_RNA)
where:
Base-Base interactions energy: -345.198
where: short stacking energy: -227.700
Base-Backbone interact. energy: 0.222
local terms energy: -336.495618
where:
bonds (distance) C4'-P energy: -68.100
bonds (distance) P-C4' energy: -84.885
flat angles C4'-P-C4' energy: -94.271
flat angles P-C4'-P energy: -52.566
tors. eta vs tors. theta energy: -36.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -661.539627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.539627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.539627 (E_RNA)
where:
Base-Base interactions energy: -320.160
where: short stacking energy: -196.560
Base-Backbone interact. energy: 1.071
local terms energy: -342.450766
where:
bonds (distance) C4'-P energy: -72.032
bonds (distance) P-C4' energy: -83.986
flat angles C4'-P-C4' energy: -81.866
flat angles P-C4'-P energy: -68.216
tors. eta vs tors. theta energy: -36.352
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: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -475.987148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.987148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.987148 (E_RNA)
where:
Base-Base interactions energy: -162.214
where: short stacking energy: -122.501
Base-Backbone interact. energy: 5.649
local terms energy: -319.422570
where:
bonds (distance) C4'-P energy: -76.659
bonds (distance) P-C4' energy: -93.997
flat angles C4'-P-C4' energy: -72.619
flat angles P-C4'-P energy: -63.741
tors. eta vs tors. theta energy: -12.406
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: 7
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -476.235393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.235393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.235393 (E_RNA)
where:
Base-Base interactions energy: -203.632
where: short stacking energy: -165.016
Base-Backbone interact. energy: 1.824
local terms energy: -274.428006
where:
bonds (distance) C4'-P energy: -77.711
bonds (distance) P-C4' energy: -75.207
flat angles C4'-P-C4' energy: -61.869
flat angles P-C4'-P energy: -42.158
tors. eta vs tors. theta energy: -17.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -381.235929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.235929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.235929 (E_RNA)
where:
Base-Base interactions energy: -122.493
where: short stacking energy: -108.528
Base-Backbone interact. energy: 2.135
local terms energy: -260.877228
where:
bonds (distance) C4'-P energy: -72.482
bonds (distance) P-C4' energy: -83.852
flat angles C4'-P-C4' energy: -53.735
flat angles P-C4'-P energy: -43.770
tors. eta vs tors. theta energy: -7.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -339.261940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.261940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.261940 (E_RNA)
where:
Base-Base interactions energy: -103.385
where: short stacking energy: -82.500
Base-Backbone interact. energy: -2.356
local terms energy: -233.521839
where:
bonds (distance) C4'-P energy: -73.221
bonds (distance) P-C4' energy: -85.277
flat angles C4'-P-C4' energy: -62.461
flat angles P-C4'-P energy: -38.689
tors. eta vs tors. theta energy: 26.127
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1259.332510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.332510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.332510 (E_RNA)
where:
Base-Base interactions energy: -762.985
where: short stacking energy: -435.890
Base-Backbone interact. energy: -1.666
local terms energy: -494.681674
where:
bonds (distance) C4'-P energy: -81.035
bonds (distance) P-C4' energy: -92.301
flat angles C4'-P-C4' energy: -111.991
flat angles P-C4'-P energy: -78.360
tors. eta vs tors. theta energy: -130.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1150.318766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.318766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.318766 (E_RNA)
where:
Base-Base interactions energy: -670.990
where: short stacking energy: -381.798
Base-Backbone interact. energy: 1.757
local terms energy: -481.085272
where:
bonds (distance) C4'-P energy: -88.773
bonds (distance) P-C4' energy: -102.291
flat angles C4'-P-C4' energy: -103.088
flat angles P-C4'-P energy: -62.967
tors. eta vs tors. theta energy: -123.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -928.373565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.373565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.373565 (E_RNA)
where:
Base-Base interactions energy: -487.720
where: short stacking energy: -317.758
Base-Backbone interact. energy: -0.645
local terms energy: -440.008464
where:
bonds (distance) C4'-P energy: -96.378
bonds (distance) P-C4' energy: -92.636
flat angles C4'-P-C4' energy: -95.461
flat angles P-C4'-P energy: -68.532
tors. eta vs tors. theta energy: -87.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -797.833729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.833729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.833729 (E_RNA)
where:
Base-Base interactions energy: -432.791
where: short stacking energy: -289.141
Base-Backbone interact. energy: 1.874
local terms energy: -366.916650
where:
bonds (distance) C4'-P energy: -78.948
bonds (distance) P-C4' energy: -95.595
flat angles C4'-P-C4' energy: -87.104
flat angles P-C4'-P energy: -46.738
tors. eta vs tors. theta energy: -58.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -666.824513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.824513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.824513 (E_RNA)
where:
Base-Base interactions energy: -322.174
where: short stacking energy: -217.298
Base-Backbone interact. energy: 2.000
local terms energy: -346.651007
where:
bonds (distance) C4'-P energy: -80.403
bonds (distance) P-C4' energy: -90.395
flat angles C4'-P-C4' energy: -81.293
flat angles P-C4'-P energy: -57.899
tors. eta vs tors. theta energy: -36.661
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: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -625.047790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.047790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.047790 (E_RNA)
where:
Base-Base interactions energy: -303.931
where: short stacking energy: -193.298
Base-Backbone interact. energy: 4.421
local terms energy: -325.537468
where:
bonds (distance) C4'-P energy: -82.879
bonds (distance) P-C4' energy: -78.377
flat angles C4'-P-C4' energy: -82.052
flat angles P-C4'-P energy: -63.359
tors. eta vs tors. theta energy: -18.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -440.038214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.038214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.038214 (E_RNA)
where:
Base-Base interactions energy: -182.631
where: short stacking energy: -149.237
Base-Backbone interact. energy: -0.380
local terms energy: -257.027121
where:
bonds (distance) C4'-P energy: -67.600
bonds (distance) P-C4' energy: -80.680
flat angles C4'-P-C4' energy: -62.347
flat angles P-C4'-P energy: -38.301
tors. eta vs tors. theta energy: -8.100
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: 7
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -441.617434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.617434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.617434 (E_RNA)
where:
Base-Base interactions energy: -170.311
where: short stacking energy: -129.802
Base-Backbone interact. energy: -0.103
local terms energy: -271.203756
where:
bonds (distance) C4'-P energy: -70.304
bonds (distance) P-C4' energy: -73.175
flat angles C4'-P-C4' energy: -84.473
flat angles P-C4'-P energy: -42.456
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: 9, replica: 1
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -380.488655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.488655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.488655 (E_RNA)
where:
Base-Base interactions energy: -127.996
where: short stacking energy: -116.500
Base-Backbone interact. energy: 1.314
local terms energy: -253.807446
where:
bonds (distance) C4'-P energy: -67.207
bonds (distance) P-C4' energy: -86.196
flat angles C4'-P-C4' energy: -82.094
flat angles P-C4'-P energy: -29.432
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: 10, replica: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -346.676871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.676871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.676871 (E_RNA)
where:
Base-Base interactions energy: -91.145
where: short stacking energy: -87.440
Base-Backbone interact. energy: 3.137
local terms energy: -258.668921
where:
bonds (distance) C4'-P energy: -75.375
bonds (distance) P-C4' energy: -99.417
flat angles C4'-P-C4' energy: -72.875
flat angles P-C4'-P energy: -25.513
tors. eta vs tors. theta energy: 14.510
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1283.546060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.546060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.546060 (E_RNA)
where:
Base-Base interactions energy: -793.596
where: short stacking energy: -446.464
Base-Backbone interact. energy: 3.023
local terms energy: -492.973160
where:
bonds (distance) C4'-P energy: -94.493
bonds (distance) P-C4' energy: -86.477
flat angles C4'-P-C4' energy: -99.584
flat angles P-C4'-P energy: -70.873
tors. eta vs tors. theta energy: -141.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1148.917976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.917976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.917976 (E_RNA)
where:
Base-Base interactions energy: -689.948
where: short stacking energy: -396.061
Base-Backbone interact. energy: -0.844
local terms energy: -458.125511
where:
bonds (distance) C4'-P energy: -80.386
bonds (distance) P-C4' energy: -96.090
flat angles C4'-P-C4' energy: -96.908
flat angles P-C4'-P energy: -67.231
tors. eta vs tors. theta energy: -117.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -954.976536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.976536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.976536 (E_RNA)
where:
Base-Base interactions energy: -531.171
where: short stacking energy: -317.396
Base-Backbone interact. energy: 0.226
local terms energy: -424.031585
where:
bonds (distance) C4'-P energy: -85.450
bonds (distance) P-C4' energy: -92.921
flat angles C4'-P-C4' energy: -89.928
flat angles P-C4'-P energy: -61.075
tors. eta vs tors. theta energy: -94.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -818.782004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.782004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.782004 (E_RNA)
where:
Base-Base interactions energy: -430.857
where: short stacking energy: -273.835
Base-Backbone interact. energy: -0.422
local terms energy: -387.502976
where:
bonds (distance) C4'-P energy: -91.323
bonds (distance) P-C4' energy: -83.674
flat angles C4'-P-C4' energy: -85.715
flat angles P-C4'-P energy: -63.630
tors. eta vs tors. theta energy: -63.161
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: 354
Temperature: 1.100000
Total energy: -703.782204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.782204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.782204 (E_RNA)
where:
Base-Base interactions energy: -370.710
where: short stacking energy: -207.094
Base-Backbone interact. energy: -1.009
local terms energy: -332.063266
where:
bonds (distance) C4'-P energy: -79.522
bonds (distance) P-C4' energy: -96.866
flat angles C4'-P-C4' energy: -82.790
flat angles P-C4'-P energy: -35.295
tors. eta vs tors. theta energy: -37.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -585.766769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.766769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.766769 (E_RNA)
where:
Base-Base interactions energy: -280.971
where: short stacking energy: -181.782
Base-Backbone interact. energy: -2.003
local terms energy: -302.792610
where:
bonds (distance) C4'-P energy: -88.672
bonds (distance) P-C4' energy: -78.782
flat angles C4'-P-C4' energy: -68.988
flat angles P-C4'-P energy: -43.733
tors. eta vs tors. theta energy: -22.619
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: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -452.586971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.586971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.586971 (E_RNA)
where:
Base-Base interactions energy: -144.770
where: short stacking energy: -133.639
Base-Backbone interact. energy: -0.908
local terms energy: -306.908590
where:
bonds (distance) C4'-P energy: -90.859
bonds (distance) P-C4' energy: -79.673
flat angles C4'-P-C4' energy: -73.201
flat angles P-C4'-P energy: -48.025
tors. eta vs tors. theta energy: -15.150
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: 7
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -419.616538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.616538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.616538 (E_RNA)
where:
Base-Base interactions energy: -124.123
where: short stacking energy: -111.070
Base-Backbone interact. energy: -1.923
local terms energy: -293.569875
where:
bonds (distance) C4'-P energy: -79.893
bonds (distance) P-C4' energy: -88.252
flat angles C4'-P-C4' energy: -91.983
flat angles P-C4'-P energy: -49.115
tors. eta vs tors. theta energy: 15.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -386.199129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.199129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.199129 (E_RNA)
where:
Base-Base interactions energy: -145.184
where: short stacking energy: -122.725
Base-Backbone interact. energy: 2.649
local terms energy: -243.663887
where:
bonds (distance) C4'-P energy: -70.702
bonds (distance) P-C4' energy: -79.183
flat angles C4'-P-C4' energy: -52.233
flat angles P-C4'-P energy: -38.187
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: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -354.086010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.086010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.086010 (E_RNA)
where:
Base-Base interactions energy: -107.752
where: short stacking energy: -96.550
Base-Backbone interact. energy: -0.161
local terms energy: -246.173630
where:
bonds (distance) C4'-P energy: -82.711
bonds (distance) P-C4' energy: -78.268
flat angles C4'-P-C4' energy: -67.742
flat angles P-C4'-P energy: -33.757
tors. eta vs tors. theta energy: 16.304
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1271.232224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.232224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.232224 (E_RNA)
where:
Base-Base interactions energy: -784.415
where: short stacking energy: -444.900
Base-Backbone interact. energy: -2.549
local terms energy: -484.267835
where:
bonds (distance) C4'-P energy: -84.996
bonds (distance) P-C4' energy: -87.761
flat angles C4'-P-C4' energy: -101.532
flat angles P-C4'-P energy: -70.467
tors. eta vs tors. theta energy: -139.511
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: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1165.870436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.870436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.870436 (E_RNA)
where:
Base-Base interactions energy: -687.505
where: short stacking energy: -417.759
Base-Backbone interact. energy: -1.239
local terms energy: -477.126164
where:
bonds (distance) C4'-P energy: -87.936
bonds (distance) P-C4' energy: -97.051
flat angles C4'-P-C4' energy: -100.106
flat angles P-C4'-P energy: -60.421
tors. eta vs tors. theta energy: -131.613
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: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -957.725205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.725205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.725205 (E_RNA)
where:
Base-Base interactions energy: -529.753
where: short stacking energy: -316.095
Base-Backbone interact. energy: -0.447
local terms energy: -427.524300
where:
bonds (distance) C4'-P energy: -96.449
bonds (distance) P-C4' energy: -102.891
flat angles C4'-P-C4' energy: -91.572
flat angles P-C4'-P energy: -61.761
tors. eta vs tors. theta energy: -74.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -777.107744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.107744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.107744 (E_RNA)
where:
Base-Base interactions energy: -409.325
where: short stacking energy: -244.614
Base-Backbone interact. energy: -1.080
local terms energy: -366.702194
where:
bonds (distance) C4'-P energy: -72.677
bonds (distance) P-C4' energy: -85.002
flat angles C4'-P-C4' energy: -83.744
flat angles P-C4'-P energy: -63.275
tors. eta vs tors. theta energy: -62.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -642.244411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.244411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.244411 (E_RNA)
where:
Base-Base interactions energy: -314.154
where: short stacking energy: -229.106
Base-Backbone interact. energy: 5.139
local terms energy: -333.229075
where:
bonds (distance) C4'-P energy: -79.545
bonds (distance) P-C4' energy: -73.815
flat angles C4'-P-C4' energy: -81.637
flat angles P-C4'-P energy: -51.369
tors. eta vs tors. theta energy: -46.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -670.487851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.487851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.487851 (E_RNA)
where:
Base-Base interactions energy: -352.668
where: short stacking energy: -220.752
Base-Backbone interact. energy: 1.775
local terms energy: -319.595154
where:
bonds (distance) C4'-P energy: -69.018
bonds (distance) P-C4' energy: -83.733
flat angles C4'-P-C4' energy: -72.397
flat angles P-C4'-P energy: -48.271
tors. eta vs tors. theta energy: -46.176
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: 355
Temperature: 1.200000
Total energy: -462.945230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.945230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.945230 (E_RNA)
where:
Base-Base interactions energy: -160.918
where: short stacking energy: -136.355
Base-Backbone interact. energy: -1.374
local terms energy: -300.652877
where:
bonds (distance) C4'-P energy: -83.740
bonds (distance) P-C4' energy: -83.453
flat angles C4'-P-C4' energy: -75.791
flat angles P-C4'-P energy: -47.247
tors. eta vs tors. theta energy: -10.421
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: 355
Temperature: 1.250000
Total energy: -405.245378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.245378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.245378 (E_RNA)
where:
Base-Base interactions energy: -148.816
where: short stacking energy: -140.241
Base-Backbone interact. energy: 2.052
local terms energy: -258.481298
where:
bonds (distance) C4'-P energy: -70.359
bonds (distance) P-C4' energy: -79.568
flat angles C4'-P-C4' energy: -74.929
flat angles P-C4'-P energy: -29.194
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -367.679441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.679441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.679441 (E_RNA)
where:
Base-Base interactions energy: -121.556
where: short stacking energy: -107.808
Base-Backbone interact. energy: -0.173
local terms energy: -245.950399
where:
bonds (distance) C4'-P energy: -72.888
bonds (distance) P-C4' energy: -72.729
flat angles C4'-P-C4' energy: -52.800
flat angles P-C4'-P energy: -51.893
tors. eta vs tors. theta energy: 4.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -348.094042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.094042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.094042 (E_RNA)
where:
Base-Base interactions energy: -122.135
where: short stacking energy: -103.670
Base-Backbone interact. energy: 4.847
local terms energy: -230.806449
where:
bonds (distance) C4'-P energy: -56.836
bonds (distance) P-C4' energy: -92.769
flat angles C4'-P-C4' energy: -65.373
flat angles P-C4'-P energy: -36.374
tors. eta vs tors. theta energy: 20.546
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1262.164606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.164606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.164606 (E_RNA)
where:
Base-Base interactions energy: -760.265
where: short stacking energy: -441.116
Base-Backbone interact. energy: -1.076
local terms energy: -500.822718
where:
bonds (distance) C4'-P energy: -93.692
bonds (distance) P-C4' energy: -100.692
flat angles C4'-P-C4' energy: -100.360
flat angles P-C4'-P energy: -69.957
tors. eta vs tors. theta energy: -136.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1187.926272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.926272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.926272 (E_RNA)
where:
Base-Base interactions energy: -715.236
where: short stacking energy: -410.676
Base-Backbone interact. energy: -1.458
local terms energy: -471.232004
where:
bonds (distance) C4'-P energy: -96.871
bonds (distance) P-C4' energy: -86.394
flat angles C4'-P-C4' energy: -103.228
flat angles P-C4'-P energy: -63.632
tors. eta vs tors. theta energy: -121.108
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: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -958.359896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.359896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.359896 (E_RNA)
where:
Base-Base interactions energy: -558.860
where: short stacking energy: -337.473
Base-Backbone interact. energy: -1.594
local terms energy: -397.905985
where:
bonds (distance) C4'-P energy: -75.398
bonds (distance) P-C4' energy: -77.275
flat angles C4'-P-C4' energy: -93.823
flat angles P-C4'-P energy: -58.734
tors. eta vs tors. theta energy: -92.676
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: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -766.320451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.320451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.320451 (E_RNA)
where:
Base-Base interactions energy: -378.544
where: short stacking energy: -250.399
Base-Backbone interact. energy: -1.661
local terms energy: -386.115415
where:
bonds (distance) C4'-P energy: -92.103
bonds (distance) P-C4' energy: -95.507
flat angles C4'-P-C4' energy: -91.541
flat angles P-C4'-P energy: -47.709
tors. eta vs tors. theta energy: -59.255
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: 356
Temperature: 1.100000
Total energy: -680.761341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.761341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.761341 (E_RNA)
where:
Base-Base interactions energy: -324.652
where: short stacking energy: -221.474
Base-Backbone interact. energy: 1.563
local terms energy: -357.672747
where:
bonds (distance) C4'-P energy: -88.250
bonds (distance) P-C4' energy: -85.161
flat angles C4'-P-C4' energy: -82.389
flat angles P-C4'-P energy: -58.826
tors. eta vs tors. theta energy: -43.046
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: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -609.912674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.912674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.912674 (E_RNA)
where:
Base-Base interactions energy: -305.125
where: short stacking energy: -201.576
Base-Backbone interact. energy: -2.486
local terms energy: -302.301444
where:
bonds (distance) C4'-P energy: -72.660
bonds (distance) P-C4' energy: -91.289
flat angles C4'-P-C4' energy: -73.000
flat angles P-C4'-P energy: -38.223
tors. eta vs tors. theta energy: -27.129
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: 1
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -460.027548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.027548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.027548 (E_RNA)
where:
Base-Base interactions energy: -158.199
where: short stacking energy: -141.373
Base-Backbone interact. energy: -0.624
local terms energy: -301.205081
where:
bonds (distance) C4'-P energy: -88.912
bonds (distance) P-C4' energy: -76.324
flat angles C4'-P-C4' energy: -77.286
flat angles P-C4'-P energy: -44.325
tors. eta vs tors. theta energy: -14.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -406.217333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.217333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.217333 (E_RNA)
where:
Base-Base interactions energy: -141.572
where: short stacking energy: -127.447
Base-Backbone interact. energy: -0.939
local terms energy: -263.705668
where:
bonds (distance) C4'-P energy: -78.794
bonds (distance) P-C4' energy: -74.877
flat angles C4'-P-C4' energy: -55.174
flat angles P-C4'-P energy: -47.726
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -376.768015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.768015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.768015 (E_RNA)
where:
Base-Base interactions energy: -106.178
where: short stacking energy: -93.509
Base-Backbone interact. energy: 1.857
local terms energy: -272.446588
where:
bonds (distance) C4'-P energy: -72.191
bonds (distance) P-C4' energy: -89.186
flat angles C4'-P-C4' energy: -71.248
flat angles P-C4'-P energy: -50.944
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: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -351.081165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.081165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.081165 (E_RNA)
where:
Base-Base interactions energy: -104.670
where: short stacking energy: -77.701
Base-Backbone interact. energy: 7.119
local terms energy: -253.530765
where:
bonds (distance) C4'-P energy: -84.290
bonds (distance) P-C4' energy: -81.212
flat angles C4'-P-C4' energy: -68.235
flat angles P-C4'-P energy: -32.312
tors. eta vs tors. theta energy: 12.519
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1280.580546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.580546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.580546 (E_RNA)
where:
Base-Base interactions energy: -784.367
where: short stacking energy: -441.876
Base-Backbone interact. energy: -0.042
local terms energy: -496.171309
where:
bonds (distance) C4'-P energy: -96.107
bonds (distance) P-C4' energy: -84.986
flat angles C4'-P-C4' energy: -100.221
flat angles P-C4'-P energy: -81.273
tors. eta vs tors. theta energy: -133.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1170.240375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.240375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.240375 (E_RNA)
where:
Base-Base interactions energy: -686.934
where: short stacking energy: -411.939
Base-Backbone interact. energy: -0.376
local terms energy: -482.929967
where:
bonds (distance) C4'-P energy: -89.938
bonds (distance) P-C4' energy: -103.299
flat angles C4'-P-C4' energy: -104.430
flat angles P-C4'-P energy: -66.694
tors. eta vs tors. theta energy: -118.569
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: 9
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -943.483144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.483144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.483144 (E_RNA)
where:
Base-Base interactions energy: -534.368
where: short stacking energy: -311.556
Base-Backbone interact. energy: 1.213
local terms energy: -410.328228
where:
bonds (distance) C4'-P energy: -75.328
bonds (distance) P-C4' energy: -93.449
flat angles C4'-P-C4' energy: -92.047
flat angles P-C4'-P energy: -63.459
tors. eta vs tors. theta energy: -86.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -787.835326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.835326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.835326 (E_RNA)
where:
Base-Base interactions energy: -413.503
where: short stacking energy: -256.431
Base-Backbone interact. energy: -0.484
local terms energy: -373.847986
where:
bonds (distance) C4'-P energy: -95.960
bonds (distance) P-C4' energy: -90.206
flat angles C4'-P-C4' energy: -75.984
flat angles P-C4'-P energy: -60.065
tors. eta vs tors. theta energy: -51.633
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: 357
Temperature: 1.100000
Total energy: -715.462855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.462855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.462855 (E_RNA)
where:
Base-Base interactions energy: -358.243
where: short stacking energy: -233.974
Base-Backbone interact. energy: -2.065
local terms energy: -355.154067
where:
bonds (distance) C4'-P energy: -67.123
bonds (distance) P-C4' energy: -88.651
flat angles C4'-P-C4' energy: -90.456
flat angles P-C4'-P energy: -61.703
tors. eta vs tors. theta energy: -47.220
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: 6, replica: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -599.775596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.775596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.775596 (E_RNA)
where:
Base-Base interactions energy: -256.889
where: short stacking energy: -192.872
Base-Backbone interact. energy: 2.043
local terms energy: -344.930022
where:
bonds (distance) C4'-P energy: -82.329
bonds (distance) P-C4' energy: -94.302
flat angles C4'-P-C4' energy: -82.191
flat angles P-C4'-P energy: -45.422
tors. eta vs tors. theta energy: -40.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -489.348986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.348986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.348986 (E_RNA)
where:
Base-Base interactions energy: -176.716
where: short stacking energy: -166.266
Base-Backbone interact. energy: 0.435
local terms energy: -313.068245
where:
bonds (distance) C4'-P energy: -89.822
bonds (distance) P-C4' energy: -83.703
flat angles C4'-P-C4' energy: -70.068
flat angles P-C4'-P energy: -57.151
tors. eta vs tors. theta energy: -12.324
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: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -384.058595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.058595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.058595 (E_RNA)
where:
Base-Base interactions energy: -148.828
where: short stacking energy: -130.703
Base-Backbone interact. energy: 0.520
local terms energy: -235.751184
where:
bonds (distance) C4'-P energy: -66.266
bonds (distance) P-C4' energy: -79.323
flat angles C4'-P-C4' energy: -50.971
flat angles P-C4'-P energy: -49.669
tors. eta vs tors. theta energy: 10.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -387.616863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.616863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.616863 (E_RNA)
where:
Base-Base interactions energy: -143.739
where: short stacking energy: -119.005
Base-Backbone interact. energy: -1.738
local terms energy: -242.139587
where:
bonds (distance) C4'-P energy: -74.142
bonds (distance) P-C4' energy: -75.544
flat angles C4'-P-C4' energy: -67.230
flat angles P-C4'-P energy: -31.337
tors. eta vs tors. theta energy: 6.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -361.558323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.558323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.558323 (E_RNA)
where:
Base-Base interactions energy: -130.649
where: short stacking energy: -118.296
Base-Backbone interact. energy: -3.469
local terms energy: -227.440540
where:
bonds (distance) C4'-P energy: -60.864
bonds (distance) P-C4' energy: -79.012
flat angles C4'-P-C4' energy: -54.277
flat angles P-C4'-P energy: -30.169
tors. eta vs tors. theta energy: -3.119
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1285.545463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.545463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.545463 (E_RNA)
where:
Base-Base interactions energy: -759.594
where: short stacking energy: -454.452
Base-Backbone interact. energy: -0.850
local terms energy: -525.101510
where:
bonds (distance) C4'-P energy: -95.892
bonds (distance) P-C4' energy: -99.412
flat angles C4'-P-C4' energy: -106.791
flat angles P-C4'-P energy: -76.884
tors. eta vs tors. theta energy: -146.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1165.361615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.361615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.361615 (E_RNA)
where:
Base-Base interactions energy: -687.789
where: short stacking energy: -399.322
Base-Backbone interact. energy: -0.815
local terms energy: -476.756971
where:
bonds (distance) C4'-P energy: -99.138
bonds (distance) P-C4' energy: -83.615
flat angles C4'-P-C4' energy: -96.428
flat angles P-C4'-P energy: -72.965
tors. eta vs tors. theta energy: -124.610
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: 9
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -895.318555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.318555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.318555 (E_RNA)
where:
Base-Base interactions energy: -487.394
where: short stacking energy: -298.493
Base-Backbone interact. energy: -0.443
local terms energy: -407.481608
where:
bonds (distance) C4'-P energy: -92.342
bonds (distance) P-C4' energy: -90.422
flat angles C4'-P-C4' energy: -89.313
flat angles P-C4'-P energy: -58.569
tors. eta vs tors. theta energy: -76.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -822.061734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.061734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.061734 (E_RNA)
where:
Base-Base interactions energy: -422.233
where: short stacking energy: -264.418
Base-Backbone interact. energy: -1.353
local terms energy: -398.475927
where:
bonds (distance) C4'-P energy: -91.700
bonds (distance) P-C4' energy: -97.909
flat angles C4'-P-C4' energy: -87.762
flat angles P-C4'-P energy: -55.555
tors. eta vs tors. theta energy: -65.551
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: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -728.385804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.385804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.385804 (E_RNA)
where:
Base-Base interactions energy: -356.850
where: short stacking energy: -246.434
Base-Backbone interact. energy: -1.628
local terms energy: -369.908347
where:
bonds (distance) C4'-P energy: -96.818
bonds (distance) P-C4' energy: -79.257
flat angles C4'-P-C4' energy: -84.009
flat angles P-C4'-P energy: -51.378
tors. eta vs tors. theta energy: -58.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -611.453406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.453406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.453406 (E_RNA)
where:
Base-Base interactions energy: -285.870
where: short stacking energy: -204.191
Base-Backbone interact. energy: -1.570
local terms energy: -324.013408
where:
bonds (distance) C4'-P energy: -77.680
bonds (distance) P-C4' energy: -83.904
flat angles C4'-P-C4' energy: -78.500
flat angles P-C4'-P energy: -48.165
tors. eta vs tors. theta energy: -35.764
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: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -468.623696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.623696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.623696 (E_RNA)
where:
Base-Base interactions energy: -182.134
where: short stacking energy: -156.491
Base-Backbone interact. energy: 0.447
local terms energy: -286.936169
where:
bonds (distance) C4'-P energy: -77.356
bonds (distance) P-C4' energy: -84.840
flat angles C4'-P-C4' energy: -77.795
flat angles P-C4'-P energy: -53.617
tors. eta vs tors. theta energy: 6.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -389.263535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.263535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.263535 (E_RNA)
where:
Base-Base interactions energy: -136.066
where: short stacking energy: -113.565
Base-Backbone interact. energy: 0.196
local terms energy: -253.393618
where:
bonds (distance) C4'-P energy: -87.185
bonds (distance) P-C4' energy: -87.327
flat angles C4'-P-C4' energy: -62.906
flat angles P-C4'-P energy: -30.794
tors. eta vs tors. theta energy: 14.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -412.856041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.856041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.856041 (E_RNA)
where:
Base-Base interactions energy: -141.470
where: short stacking energy: -128.757
Base-Backbone interact. energy: 0.077
local terms energy: -271.463139
where:
bonds (distance) C4'-P energy: -64.032
bonds (distance) P-C4' energy: -75.295
flat angles C4'-P-C4' energy: -77.154
flat angles P-C4'-P energy: -43.882
tors. eta vs tors. theta energy: -11.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -365.485342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.485342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.485342 (E_RNA)
where:
Base-Base interactions energy: -120.333
where: short stacking energy: -110.646
Base-Backbone interact. energy: 1.724
local terms energy: -246.876082
where:
bonds (distance) C4'-P energy: -67.015
bonds (distance) P-C4' energy: -86.051
flat angles C4'-P-C4' energy: -63.066
flat angles P-C4'-P energy: -43.310
tors. eta vs tors. theta energy: 12.566
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1266.439228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.439228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.439228 (E_RNA)
where:
Base-Base interactions energy: -751.609
where: short stacking energy: -445.504
Base-Backbone interact. energy: 0.834
local terms energy: -515.664809
where:
bonds (distance) C4'-P energy: -86.852
bonds (distance) P-C4' energy: -103.760
flat angles C4'-P-C4' energy: -106.994
flat angles P-C4'-P energy: -70.594
tors. eta vs tors. theta energy: -147.464
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: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1167.484907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.484907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.484907 (E_RNA)
where:
Base-Base interactions energy: -666.676
where: short stacking energy: -407.418
Base-Backbone interact. energy: 1.428
local terms energy: -502.236569
where:
bonds (distance) C4'-P energy: -93.874
bonds (distance) P-C4' energy: -98.725
flat angles C4'-P-C4' energy: -104.384
flat angles P-C4'-P energy: -73.402
tors. eta vs tors. theta energy: -131.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -862.652935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.652935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.652935 (E_RNA)
where:
Base-Base interactions energy: -469.127
where: short stacking energy: -284.327
Base-Backbone interact. energy: -0.214
local terms energy: -393.312544
where:
bonds (distance) C4'-P energy: -79.807
bonds (distance) P-C4' energy: -92.178
flat angles C4'-P-C4' energy: -99.824
flat angles P-C4'-P energy: -56.566
tors. eta vs tors. theta energy: -64.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -819.222259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.222259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.222259 (E_RNA)
where:
Base-Base interactions energy: -435.023
where: short stacking energy: -290.378
Base-Backbone interact. energy: 0.813
local terms energy: -385.013093
where:
bonds (distance) C4'-P energy: -85.498
bonds (distance) P-C4' energy: -82.431
flat angles C4'-P-C4' energy: -86.603
flat angles P-C4'-P energy: -57.499
tors. eta vs tors. theta energy: -72.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -672.299066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.299066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.299066 (E_RNA)
where:
Base-Base interactions energy: -353.135
where: short stacking energy: -229.032
Base-Backbone interact. energy: 0.678
local terms energy: -319.842053
where:
bonds (distance) C4'-P energy: -83.151
bonds (distance) P-C4' energy: -80.186
flat angles C4'-P-C4' energy: -74.929
flat angles P-C4'-P energy: -50.940
tors. eta vs tors. theta energy: -30.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -619.759036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.759036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.759036 (E_RNA)
where:
Base-Base interactions energy: -291.811
where: short stacking energy: -199.950
Base-Backbone interact. energy: -1.105
local terms energy: -326.842742
where:
bonds (distance) C4'-P energy: -85.422
bonds (distance) P-C4' energy: -81.965
flat angles C4'-P-C4' energy: -73.542
flat angles P-C4'-P energy: -57.362
tors. eta vs tors. theta energy: -28.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -457.292263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.292263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.292263 (E_RNA)
where:
Base-Base interactions energy: -176.275
where: short stacking energy: -151.763
Base-Backbone interact. energy: -0.240
local terms energy: -280.777758
where:
bonds (distance) C4'-P energy: -73.180
bonds (distance) P-C4' energy: -93.602
flat angles C4'-P-C4' energy: -71.217
flat angles P-C4'-P energy: -30.837
tors. eta vs tors. theta energy: -11.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -397.649845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.649845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.649845 (E_RNA)
where:
Base-Base interactions energy: -145.936
where: short stacking energy: -131.404
Base-Backbone interact. energy: 1.722
local terms energy: -253.435294
where:
bonds (distance) C4'-P energy: -68.042
bonds (distance) P-C4' energy: -84.804
flat angles C4'-P-C4' energy: -71.474
flat angles P-C4'-P energy: -41.087
tors. eta vs tors. theta energy: 11.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -358.615854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.615854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.615854 (E_RNA)
where:
Base-Base interactions energy: -111.401
where: short stacking energy: -100.963
Base-Backbone interact. energy: -1.708
local terms energy: -245.507032
where:
bonds (distance) C4'-P energy: -79.607
bonds (distance) P-C4' energy: -78.894
flat angles C4'-P-C4' energy: -64.173
flat angles P-C4'-P energy: -37.759
tors. eta vs tors. theta energy: 14.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -341.971749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.971749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.971749 (E_RNA)
where:
Base-Base interactions energy: -113.443
where: short stacking energy: -106.093
Base-Backbone interact. energy: -0.201
local terms energy: -228.327099
where:
bonds (distance) C4'-P energy: -73.108
bonds (distance) P-C4' energy: -74.064
flat angles C4'-P-C4' energy: -54.487
flat angles P-C4'-P energy: -31.010
tors. eta vs tors. theta energy: 4.342
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1253.534010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.534010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.534010 (E_RNA)
where:
Base-Base interactions energy: -748.960
where: short stacking energy: -441.011
Base-Backbone interact. energy: 1.019
local terms energy: -505.593072
where:
bonds (distance) C4'-P energy: -99.725
bonds (distance) P-C4' energy: -90.598
flat angles C4'-P-C4' energy: -108.278
flat angles P-C4'-P energy: -63.961
tors. eta vs tors. theta energy: -143.031
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: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1189.102974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.102974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.102974 (E_RNA)
where:
Base-Base interactions energy: -712.309
where: short stacking energy: -432.741
Base-Backbone interact. energy: 0.063
local terms energy: -476.857188
where:
bonds (distance) C4'-P energy: -99.535
bonds (distance) P-C4' energy: -79.215
flat angles C4'-P-C4' energy: -98.871
flat angles P-C4'-P energy: -68.069
tors. eta vs tors. theta energy: -131.168
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: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -918.971842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.971842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.971842 (E_RNA)
where:
Base-Base interactions energy: -479.274
where: short stacking energy: -322.040
Base-Backbone interact. energy: -0.379
local terms energy: -439.318885
where:
bonds (distance) C4'-P energy: -88.556
bonds (distance) P-C4' energy: -83.799
flat angles C4'-P-C4' energy: -96.224
flat angles P-C4'-P energy: -80.663
tors. eta vs tors. theta energy: -90.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -822.917040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.917040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.917040 (E_RNA)
where:
Base-Base interactions energy: -464.562
where: short stacking energy: -279.850
Base-Backbone interact. energy: 0.904
local terms energy: -359.258702
where:
bonds (distance) C4'-P energy: -80.285
bonds (distance) P-C4' energy: -78.496
flat angles C4'-P-C4' energy: -85.846
flat angles P-C4'-P energy: -51.226
tors. eta vs tors. theta energy: -63.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -661.248191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.248191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.248191 (E_RNA)
where:
Base-Base interactions energy: -325.108
where: short stacking energy: -224.514
Base-Backbone interact. energy: -2.572
local terms energy: -333.567630
where:
bonds (distance) C4'-P energy: -89.119
bonds (distance) P-C4' energy: -79.953
flat angles C4'-P-C4' energy: -77.212
flat angles P-C4'-P energy: -50.519
tors. eta vs tors. theta energy: -36.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -623.561584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.561584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.561584 (E_RNA)
where:
Base-Base interactions energy: -291.929
where: short stacking energy: -226.301
Base-Backbone interact. energy: -0.481
local terms energy: -331.151920
where:
bonds (distance) C4'-P energy: -71.827
bonds (distance) P-C4' energy: -86.990
flat angles C4'-P-C4' energy: -89.144
flat angles P-C4'-P energy: -45.421
tors. eta vs tors. theta energy: -37.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -456.261049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.261049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.261049 (E_RNA)
where:
Base-Base interactions energy: -176.648
where: short stacking energy: -158.101
Base-Backbone interact. energy: 0.955
local terms energy: -280.568008
where:
bonds (distance) C4'-P energy: -77.952
bonds (distance) P-C4' energy: -87.289
flat angles C4'-P-C4' energy: -70.879
flat angles P-C4'-P energy: -43.635
tors. eta vs tors. theta energy: -0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -411.738556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.738556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.738556 (E_RNA)
where:
Base-Base interactions energy: -119.289
where: short stacking energy: -98.748
Base-Backbone interact. energy: 2.775
local terms energy: -295.223782
where:
bonds (distance) C4'-P energy: -84.639
bonds (distance) P-C4' energy: -93.896
flat angles C4'-P-C4' energy: -78.808
flat angles P-C4'-P energy: -52.807
tors. eta vs tors. theta energy: 14.927
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: 360
Temperature: 1.300000
Total energy: -390.112176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.112176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.112176 (E_RNA)
where:
Base-Base interactions energy: -158.296
where: short stacking energy: -130.662
Base-Backbone interact. energy: 1.564
local terms energy: -233.380314
where:
bonds (distance) C4'-P energy: -72.010
bonds (distance) P-C4' energy: -80.337
flat angles C4'-P-C4' energy: -57.273
flat angles P-C4'-P energy: -33.175
tors. eta vs tors. theta energy: 9.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -363.586660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.586660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.586660 (E_RNA)
where:
Base-Base interactions energy: -121.477
where: short stacking energy: -111.392
Base-Backbone interact. energy: 1.908
local terms energy: -244.017206
where:
bonds (distance) C4'-P energy: -78.539
bonds (distance) P-C4' energy: -76.035
flat angles C4'-P-C4' energy: -58.642
flat angles P-C4'-P energy: -37.834
tors. eta vs tors. theta energy: 7.032
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1255.795610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.795610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.795610 (E_RNA)
where:
Base-Base interactions energy: -762.667
where: short stacking energy: -464.185
Base-Backbone interact. energy: -1.140
local terms energy: -491.988522
where:
bonds (distance) C4'-P energy: -81.646
bonds (distance) P-C4' energy: -101.338
flat angles C4'-P-C4' energy: -107.593
flat angles P-C4'-P energy: -69.617
tors. eta vs tors. theta energy: -131.794
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: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1136.239350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.239350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.239350 (E_RNA)
where:
Base-Base interactions energy: -685.420
where: short stacking energy: -409.832
Base-Backbone interact. energy: -2.188
local terms energy: -448.631050
where:
bonds (distance) C4'-P energy: -84.687
bonds (distance) P-C4' energy: -77.542
flat angles C4'-P-C4' energy: -110.525
flat angles P-C4'-P energy: -63.500
tors. eta vs tors. theta energy: -112.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -951.567115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.567115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.567115 (E_RNA)
where:
Base-Base interactions energy: -515.693
where: short stacking energy: -318.200
Base-Backbone interact. energy: -1.884
local terms energy: -433.990116
where:
bonds (distance) C4'-P energy: -88.795
bonds (distance) P-C4' energy: -96.025
flat angles C4'-P-C4' energy: -84.356
flat angles P-C4'-P energy: -70.371
tors. eta vs tors. theta energy: -94.443
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: 4, replica: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -830.833644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.833644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.833644 (E_RNA)
where:
Base-Base interactions energy: -447.289
where: short stacking energy: -250.735
Base-Backbone interact. energy: -1.699
local terms energy: -381.844897
where:
bonds (distance) C4'-P energy: -96.043
bonds (distance) P-C4' energy: -78.476
flat angles C4'-P-C4' energy: -90.138
flat angles P-C4'-P energy: -63.215
tors. eta vs tors. theta energy: -53.973
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: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -641.515539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.515539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.515539 (E_RNA)
where:
Base-Base interactions energy: -319.433
where: short stacking energy: -208.726
Base-Backbone interact. energy: 1.084
local terms energy: -323.165880
where:
bonds (distance) C4'-P energy: -88.023
bonds (distance) P-C4' energy: -70.881
flat angles C4'-P-C4' energy: -76.174
flat angles P-C4'-P energy: -47.578
tors. eta vs tors. theta energy: -40.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -600.858749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.858749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.858749 (E_RNA)
where:
Base-Base interactions energy: -277.400
where: short stacking energy: -189.780
Base-Backbone interact. energy: -2.279
local terms energy: -321.179801
where:
bonds (distance) C4'-P energy: -87.340
bonds (distance) P-C4' energy: -82.983
flat angles C4'-P-C4' energy: -80.721
flat angles P-C4'-P energy: -44.555
tors. eta vs tors. theta energy: -25.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -461.311239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.311239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.311239 (E_RNA)
where:
Base-Base interactions energy: -200.667
where: short stacking energy: -179.098
Base-Backbone interact. energy: -1.015
local terms energy: -259.629505
where:
bonds (distance) C4'-P energy: -76.055
bonds (distance) P-C4' energy: -72.750
flat angles C4'-P-C4' energy: -68.771
flat angles P-C4'-P energy: -36.243
tors. eta vs tors. theta energy: -5.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -440.360721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.360721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.360721 (E_RNA)
where:
Base-Base interactions energy: -144.685
where: short stacking energy: -142.468
Base-Backbone interact. energy: -1.029
local terms energy: -294.647182
where:
bonds (distance) C4'-P energy: -77.789
bonds (distance) P-C4' energy: -90.150
flat angles C4'-P-C4' energy: -81.284
flat angles P-C4'-P energy: -42.376
tors. eta vs tors. theta energy: -3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -391.776179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.776179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.776179 (E_RNA)
where:
Base-Base interactions energy: -150.206
where: short stacking energy: -125.091
Base-Backbone interact. energy: 0.533
local terms energy: -242.103705
where:
bonds (distance) C4'-P energy: -74.410
bonds (distance) P-C4' energy: -84.403
flat angles C4'-P-C4' energy: -59.817
flat angles P-C4'-P energy: -34.745
tors. eta vs tors. theta energy: 11.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -362.223758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.223758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.223758 (E_RNA)
where:
Base-Base interactions energy: -100.817
where: short stacking energy: -97.551
Base-Backbone interact. energy: 4.372
local terms energy: -265.778422
where:
bonds (distance) C4'-P energy: -74.513
bonds (distance) P-C4' energy: -76.828
flat angles C4'-P-C4' energy: -81.086
flat angles P-C4'-P energy: -41.440
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1257.297280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.297280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.297280 (E_RNA)
where:
Base-Base interactions energy: -763.350
where: short stacking energy: -447.326
Base-Backbone interact. energy: -0.877
local terms energy: -493.070538
where:
bonds (distance) C4'-P energy: -97.298
bonds (distance) P-C4' energy: -94.596
flat angles C4'-P-C4' energy: -102.861
flat angles P-C4'-P energy: -62.496
tors. eta vs tors. theta energy: -135.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1133.592164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.592164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.592164 (E_RNA)
where:
Base-Base interactions energy: -654.590
where: short stacking energy: -388.295
Base-Backbone interact. energy: -0.831
local terms energy: -478.170437
where:
bonds (distance) C4'-P energy: -86.674
bonds (distance) P-C4' energy: -97.745
flat angles C4'-P-C4' energy: -101.346
flat angles P-C4'-P energy: -66.178
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: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -919.755121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.755121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.755121 (E_RNA)
where:
Base-Base interactions energy: -511.460
where: short stacking energy: -291.510
Base-Backbone interact. energy: -0.735
local terms energy: -407.559447
where:
bonds (distance) C4'-P energy: -79.380
bonds (distance) P-C4' energy: -83.786
flat angles C4'-P-C4' energy: -102.314
flat angles P-C4'-P energy: -56.667
tors. eta vs tors. theta energy: -85.412
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: 9
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -861.652450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.652450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.652450 (E_RNA)
where:
Base-Base interactions energy: -478.771
where: short stacking energy: -270.393
Base-Backbone interact. energy: 1.486
local terms energy: -384.367268
where:
bonds (distance) C4'-P energy: -79.802
bonds (distance) P-C4' energy: -86.293
flat angles C4'-P-C4' energy: -97.379
flat angles P-C4'-P energy: -55.733
tors. eta vs tors. theta energy: -65.160
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: 5, replica: 3
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -692.639201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.639201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.639201 (E_RNA)
where:
Base-Base interactions energy: -342.190
where: short stacking energy: -230.086
Base-Backbone interact. energy: -2.020
local terms energy: -348.429059
where:
bonds (distance) C4'-P energy: -75.016
bonds (distance) P-C4' energy: -92.365
flat angles C4'-P-C4' energy: -85.811
flat angles P-C4'-P energy: -54.464
tors. eta vs tors. theta energy: -40.773
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: 2
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -579.615118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.615118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.615118 (E_RNA)
where:
Base-Base interactions energy: -254.538
where: short stacking energy: -172.289
Base-Backbone interact. energy: 1.199
local terms energy: -326.275770
where:
bonds (distance) C4'-P energy: -79.780
bonds (distance) P-C4' energy: -95.520
flat angles C4'-P-C4' energy: -78.908
flat angles P-C4'-P energy: -45.165
tors. eta vs tors. theta energy: -26.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -448.765118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.765118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.765118 (E_RNA)
where:
Base-Base interactions energy: -149.104
where: short stacking energy: -125.470
Base-Backbone interact. energy: -0.801
local terms energy: -298.860551
where:
bonds (distance) C4'-P energy: -85.795
bonds (distance) P-C4' energy: -82.800
flat angles C4'-P-C4' energy: -70.464
flat angles P-C4'-P energy: -52.174
tors. eta vs tors. theta energy: -7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -422.860459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.860459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.860459 (E_RNA)
where:
Base-Base interactions energy: -151.927
where: short stacking energy: -125.574
Base-Backbone interact. energy: -3.977
local terms energy: -266.956516
where:
bonds (distance) C4'-P energy: -62.951
bonds (distance) P-C4' energy: -94.956
flat angles C4'-P-C4' energy: -71.329
flat angles P-C4'-P energy: -53.051
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: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -378.765186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.765186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.765186 (E_RNA)
where:
Base-Base interactions energy: -116.803
where: short stacking energy: -99.532
Base-Backbone interact. energy: 1.173
local terms energy: -263.134749
where:
bonds (distance) C4'-P energy: -74.702
bonds (distance) P-C4' energy: -79.068
flat angles C4'-P-C4' energy: -78.099
flat angles P-C4'-P energy: -34.498
tors. eta vs tors. theta energy: 3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -351.084004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.084004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.084004 (E_RNA)
where:
Base-Base interactions energy: -114.738
where: short stacking energy: -99.630
Base-Backbone interact. energy: -0.721
local terms energy: -235.625255
where:
bonds (distance) C4'-P energy: -69.147
bonds (distance) P-C4' energy: -80.908
flat angles C4'-P-C4' energy: -56.784
flat angles P-C4'-P energy: -41.647
tors. eta vs tors. theta energy: 12.859
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1255.399343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.399343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.399343 (E_RNA)
where:
Base-Base interactions energy: -747.881
where: short stacking energy: -441.565
Base-Backbone interact. energy: -0.475
local terms energy: -507.043084
where:
bonds (distance) C4'-P energy: -99.464
bonds (distance) P-C4' energy: -87.237
flat angles C4'-P-C4' energy: -113.548
flat angles P-C4'-P energy: -71.798
tors. eta vs tors. theta energy: -134.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1113.415749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.415749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.415749 (E_RNA)
where:
Base-Base interactions energy: -655.834
where: short stacking energy: -374.579
Base-Backbone interact. energy: -1.297
local terms energy: -456.284564
where:
bonds (distance) C4'-P energy: -91.348
bonds (distance) P-C4' energy: -96.521
flat angles C4'-P-C4' energy: -93.991
flat angles P-C4'-P energy: -63.267
tors. eta vs tors. theta energy: -111.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -893.473514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.473514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.473514 (E_RNA)
where:
Base-Base interactions energy: -470.231
where: short stacking energy: -290.130
Base-Backbone interact. energy: 0.100
local terms energy: -423.342707
where:
bonds (distance) C4'-P energy: -84.157
bonds (distance) P-C4' energy: -92.423
flat angles C4'-P-C4' energy: -105.923
flat angles P-C4'-P energy: -57.072
tors. eta vs tors. theta energy: -83.767
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: 9
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -872.266282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.266282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.266282 (E_RNA)
where:
Base-Base interactions energy: -468.773
where: short stacking energy: -290.313
Base-Backbone interact. energy: -0.562
local terms energy: -402.931962
where:
bonds (distance) C4'-P energy: -86.446
bonds (distance) P-C4' energy: -81.937
flat angles C4'-P-C4' energy: -99.646
flat angles P-C4'-P energy: -71.945
tors. eta vs tors. theta energy: -62.958
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: 363
Temperature: 1.100000
Total energy: -706.206307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.206307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.206307 (E_RNA)
where:
Base-Base interactions energy: -344.578
where: short stacking energy: -216.657
Base-Backbone interact. energy: 3.359
local terms energy: -364.987461
where:
bonds (distance) C4'-P energy: -92.356
bonds (distance) P-C4' energy: -86.931
flat angles C4'-P-C4' energy: -97.002
flat angles P-C4'-P energy: -58.744
tors. eta vs tors. theta energy: -29.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -600.802479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.802479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.802479 (E_RNA)
where:
Base-Base interactions energy: -278.933
where: short stacking energy: -213.448
Base-Backbone interact. energy: 2.152
local terms energy: -324.020801
where:
bonds (distance) C4'-P energy: -73.723
bonds (distance) P-C4' energy: -84.777
flat angles C4'-P-C4' energy: -72.424
flat angles P-C4'-P energy: -48.649
tors. eta vs tors. theta energy: -44.448
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: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -464.773521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.773521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.773521 (E_RNA)
where:
Base-Base interactions energy: -157.773
where: short stacking energy: -123.704
Base-Backbone interact. energy: -0.930
local terms energy: -306.070528
where:
bonds (distance) C4'-P energy: -91.524
bonds (distance) P-C4' energy: -95.586
flat angles C4'-P-C4' energy: -75.093
flat angles P-C4'-P energy: -38.167
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -411.868448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.868448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.868448 (E_RNA)
where:
Base-Base interactions energy: -153.338
where: short stacking energy: -121.753
Base-Backbone interact. energy: 0.148
local terms energy: -258.679298
where:
bonds (distance) C4'-P energy: -68.231
bonds (distance) P-C4' energy: -77.123
flat angles C4'-P-C4' energy: -64.361
flat angles P-C4'-P energy: -55.120
tors. eta vs tors. theta energy: 6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -376.952487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.952487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.952487 (E_RNA)
where:
Base-Base interactions energy: -122.416
where: short stacking energy: -109.871
Base-Backbone interact. energy: 1.623
local terms energy: -256.159289
where:
bonds (distance) C4'-P energy: -80.712
bonds (distance) P-C4' energy: -75.345
flat angles C4'-P-C4' energy: -53.858
flat angles P-C4'-P energy: -55.801
tors. eta vs tors. theta energy: 9.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -361.738590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.738590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.738590 (E_RNA)
where:
Base-Base interactions energy: -109.644
where: short stacking energy: -92.399
Base-Backbone interact. energy: 1.742
local terms energy: -253.836440
where:
bonds (distance) C4'-P energy: -61.069
bonds (distance) P-C4' energy: -66.982
flat angles C4'-P-C4' energy: -79.883
flat angles P-C4'-P energy: -48.837
tors. eta vs tors. theta energy: 2.935
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1253.052176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.052176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.052176 (E_RNA)
where:
Base-Base interactions energy: -766.285
where: short stacking energy: -429.013
Base-Backbone interact. energy: -1.224
local terms energy: -485.543599
where:
bonds (distance) C4'-P energy: -88.458
bonds (distance) P-C4' energy: -95.837
flat angles C4'-P-C4' energy: -105.423
flat angles P-C4'-P energy: -65.028
tors. eta vs tors. theta energy: -130.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1120.129499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.129499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.129499 (E_RNA)
where:
Base-Base interactions energy: -654.309
where: short stacking energy: -374.695
Base-Backbone interact. energy: -1.143
local terms energy: -464.678132
where:
bonds (distance) C4'-P energy: -93.369
bonds (distance) P-C4' energy: -94.685
flat angles C4'-P-C4' energy: -98.370
flat angles P-C4'-P energy: -65.218
tors. eta vs tors. theta energy: -113.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -917.641335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.641335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.641335 (E_RNA)
where:
Base-Base interactions energy: -488.770
where: short stacking energy: -295.873
Base-Backbone interact. energy: -1.146
local terms energy: -427.726039
where:
bonds (distance) C4'-P energy: -91.178
bonds (distance) P-C4' energy: -93.176
flat angles C4'-P-C4' energy: -100.590
flat angles P-C4'-P energy: -67.457
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: 9
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -893.792669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.792669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.792669 (E_RNA)
where:
Base-Base interactions energy: -481.517
where: short stacking energy: -299.113
Base-Backbone interact. energy: -1.225
local terms energy: -411.050361
where:
bonds (distance) C4'-P energy: -85.794
bonds (distance) P-C4' energy: -94.454
flat angles C4'-P-C4' energy: -91.860
flat angles P-C4'-P energy: -60.918
tors. eta vs tors. theta energy: -78.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -717.795712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.795712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.795712 (E_RNA)
where:
Base-Base interactions energy: -367.287
where: short stacking energy: -238.086
Base-Backbone interact. energy: -0.112
local terms energy: -350.396798
where:
bonds (distance) C4'-P energy: -79.807
bonds (distance) P-C4' energy: -79.434
flat angles C4'-P-C4' energy: -85.186
flat angles P-C4'-P energy: -60.686
tors. eta vs tors. theta energy: -45.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -642.356554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.356554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.356554 (E_RNA)
where:
Base-Base interactions energy: -311.601
where: short stacking energy: -197.106
Base-Backbone interact. energy: -0.109
local terms energy: -330.647115
where:
bonds (distance) C4'-P energy: -75.425
bonds (distance) P-C4' energy: -93.795
flat angles C4'-P-C4' energy: -81.067
flat angles P-C4'-P energy: -34.753
tors. eta vs tors. theta energy: -45.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -455.151320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.151320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.151320 (E_RNA)
where:
Base-Base interactions energy: -165.966
where: short stacking energy: -154.167
Base-Backbone interact. energy: 7.010
local terms energy: -296.194878
where:
bonds (distance) C4'-P energy: -80.662
bonds (distance) P-C4' energy: -82.698
flat angles C4'-P-C4' energy: -63.252
flat angles P-C4'-P energy: -56.968
tors. eta vs tors. theta energy: -12.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -440.745618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.745618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.745618 (E_RNA)
where:
Base-Base interactions energy: -179.939
where: short stacking energy: -115.145
Base-Backbone interact. energy: -1.623
local terms energy: -259.184254
where:
bonds (distance) C4'-P energy: -64.209
bonds (distance) P-C4' energy: -79.090
flat angles C4'-P-C4' energy: -78.182
flat angles P-C4'-P energy: -31.138
tors. eta vs tors. theta energy: -6.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -375.610317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.610317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.610317 (E_RNA)
where:
Base-Base interactions energy: -128.650
where: short stacking energy: -115.619
Base-Backbone interact. energy: -1.038
local terms energy: -245.922048
where:
bonds (distance) C4'-P energy: -78.156
bonds (distance) P-C4' energy: -83.290
flat angles C4'-P-C4' energy: -62.234
flat angles P-C4'-P energy: -34.056
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: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -362.902866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.902866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.902866 (E_RNA)
where:
Base-Base interactions energy: -114.088
where: short stacking energy: -98.440
Base-Backbone interact. energy: 5.002
local terms energy: -253.816538
where:
bonds (distance) C4'-P energy: -63.826
bonds (distance) P-C4' energy: -85.252
flat angles C4'-P-C4' energy: -68.291
flat angles P-C4'-P energy: -44.029
tors. eta vs tors. theta energy: 7.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1271.337190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.337190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.337190 (E_RNA)
where:
Base-Base interactions energy: -756.546
where: short stacking energy: -447.249
Base-Backbone interact. energy: -0.427
local terms energy: -514.364442
where:
bonds (distance) C4'-P energy: -93.370
bonds (distance) P-C4' energy: -102.745
flat angles C4'-P-C4' energy: -105.694
flat angles P-C4'-P energy: -72.471
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: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1127.394592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.394592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.394592 (E_RNA)
where:
Base-Base interactions energy: -680.746
where: short stacking energy: -383.540
Base-Backbone interact. energy: 0.369
local terms energy: -447.018287
where:
bonds (distance) C4'-P energy: -76.147
bonds (distance) P-C4' energy: -96.796
flat angles C4'-P-C4' energy: -93.800
flat angles P-C4'-P energy: -64.732
tors. eta vs tors. theta energy: -115.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -922.762693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.762693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.762693 (E_RNA)
where:
Base-Base interactions energy: -498.566
where: short stacking energy: -298.039
Base-Backbone interact. energy: -0.393
local terms energy: -423.803983
where:
bonds (distance) C4'-P energy: -87.597
bonds (distance) P-C4' energy: -87.829
flat angles C4'-P-C4' energy: -101.142
flat angles P-C4'-P energy: -70.935
tors. eta vs tors. theta energy: -76.301
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: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -916.620978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.620978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.620978 (E_RNA)
where:
Base-Base interactions energy: -517.386
where: short stacking energy: -293.241
Base-Backbone interact. energy: 1.496
local terms energy: -400.731004
where:
bonds (distance) C4'-P energy: -75.334
bonds (distance) P-C4' energy: -94.725
flat angles C4'-P-C4' energy: -102.379
flat angles P-C4'-P energy: -50.742
tors. eta vs tors. theta energy: -77.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -716.487749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.487749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.487749 (E_RNA)
where:
Base-Base interactions energy: -362.774
where: short stacking energy: -233.611
Base-Backbone interact. energy: 0.695
local terms energy: -354.408922
where:
bonds (distance) C4'-P energy: -82.969
bonds (distance) P-C4' energy: -81.004
flat angles C4'-P-C4' energy: -86.034
flat angles P-C4'-P energy: -59.190
tors. eta vs tors. theta energy: -45.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -626.593894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.593894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.593894 (E_RNA)
where:
Base-Base interactions energy: -315.477
where: short stacking energy: -198.989
Base-Backbone interact. energy: 0.696
local terms energy: -311.811961
where:
bonds (distance) C4'-P energy: -81.817
bonds (distance) P-C4' energy: -67.874
flat angles C4'-P-C4' energy: -60.790
flat angles P-C4'-P energy: -55.442
tors. eta vs tors. theta energy: -45.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -478.220534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.220534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.220534 (E_RNA)
where:
Base-Base interactions energy: -174.533
where: short stacking energy: -165.648
Base-Backbone interact. energy: -1.016
local terms energy: -302.672311
where:
bonds (distance) C4'-P energy: -88.207
bonds (distance) P-C4' energy: -75.313
flat angles C4'-P-C4' energy: -67.933
flat angles P-C4'-P energy: -51.673
tors. eta vs tors. theta energy: -19.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -437.452683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.452683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.452683 (E_RNA)
where:
Base-Base interactions energy: -157.965
where: short stacking energy: -136.232
Base-Backbone interact. energy: 2.836
local terms energy: -282.324045
where:
bonds (distance) C4'-P energy: -78.393
bonds (distance) P-C4' energy: -86.577
flat angles C4'-P-C4' energy: -66.088
flat angles P-C4'-P energy: -36.819
tors. eta vs tors. theta energy: -14.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -386.690593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.690593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.690593 (E_RNA)
where:
Base-Base interactions energy: -99.564
where: short stacking energy: -86.920
Base-Backbone interact. energy: 1.384
local terms energy: -288.510961
where:
bonds (distance) C4'-P energy: -70.625
bonds (distance) P-C4' energy: -93.505
flat angles C4'-P-C4' energy: -77.552
flat angles P-C4'-P energy: -51.441
tors. eta vs tors. theta energy: 4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -378.826381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.826381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.826381 (E_RNA)
where:
Base-Base interactions energy: -117.791
where: short stacking energy: -105.970
Base-Backbone interact. energy: 1.464
local terms energy: -262.499182
where:
bonds (distance) C4'-P energy: -91.536
bonds (distance) P-C4' energy: -79.535
flat angles C4'-P-C4' energy: -64.341
flat angles P-C4'-P energy: -30.845
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1272.514415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.514415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.514415 (E_RNA)
where:
Base-Base interactions energy: -762.601
where: short stacking energy: -437.176
Base-Backbone interact. energy: -0.779
local terms energy: -509.133683
where:
bonds (distance) C4'-P energy: -91.705
bonds (distance) P-C4' energy: -92.490
flat angles C4'-P-C4' energy: -106.389
flat angles P-C4'-P energy: -70.926
tors. eta vs tors. theta energy: -147.624
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: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1139.695012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.695012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.695012 (E_RNA)
where:
Base-Base interactions energy: -667.518
where: short stacking energy: -392.169
Base-Backbone interact. energy: -1.315
local terms energy: -470.861531
where:
bonds (distance) C4'-P energy: -80.397
bonds (distance) P-C4' energy: -97.278
flat angles C4'-P-C4' energy: -102.124
flat angles P-C4'-P energy: -70.237
tors. eta vs tors. theta energy: -120.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -954.597885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.597885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.597885 (E_RNA)
where:
Base-Base interactions energy: -527.656
where: short stacking energy: -310.164
Base-Backbone interact. energy: -1.001
local terms energy: -425.939962
where:
bonds (distance) C4'-P energy: -96.774
bonds (distance) P-C4' energy: -102.391
flat angles C4'-P-C4' energy: -84.799
flat angles P-C4'-P energy: -66.909
tors. eta vs tors. theta energy: -75.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -898.460538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.460538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.460538 (E_RNA)
where:
Base-Base interactions energy: -480.381
where: short stacking energy: -294.758
Base-Backbone interact. energy: -2.917
local terms energy: -415.162418
where:
bonds (distance) C4'-P energy: -90.185
bonds (distance) P-C4' energy: -87.598
flat angles C4'-P-C4' energy: -94.508
flat angles P-C4'-P energy: -67.234
tors. eta vs tors. theta energy: -75.637
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: 366
Temperature: 1.100000
Total energy: -726.469023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.469023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.469023 (E_RNA)
where:
Base-Base interactions energy: -376.408
where: short stacking energy: -243.086
Base-Backbone interact. energy: -0.974
local terms energy: -349.086908
where:
bonds (distance) C4'-P energy: -82.249
bonds (distance) P-C4' energy: -84.780
flat angles C4'-P-C4' energy: -73.559
flat angles P-C4'-P energy: -66.625
tors. eta vs tors. theta energy: -41.874
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: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -606.198544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.198544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.198544 (E_RNA)
where:
Base-Base interactions energy: -276.257
where: short stacking energy: -214.515
Base-Backbone interact. energy: -1.402
local terms energy: -328.540367
where:
bonds (distance) C4'-P energy: -66.884
bonds (distance) P-C4' energy: -82.675
flat angles C4'-P-C4' energy: -74.845
flat angles P-C4'-P energy: -53.680
tors. eta vs tors. theta energy: -50.456
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: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -458.750260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.750260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.750260 (E_RNA)
where:
Base-Base interactions energy: -161.118
where: short stacking energy: -150.582
Base-Backbone interact. energy: 1.300
local terms energy: -298.932150
where:
bonds (distance) C4'-P energy: -74.693
bonds (distance) P-C4' energy: -88.215
flat angles C4'-P-C4' energy: -74.730
flat angles P-C4'-P energy: -39.619
tors. eta vs tors. theta energy: -21.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -454.108829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.108829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.108829 (E_RNA)
where:
Base-Base interactions energy: -156.285
where: short stacking energy: -107.464
Base-Backbone interact. energy: -0.235
local terms energy: -297.589208
where:
bonds (distance) C4'-P energy: -83.374
bonds (distance) P-C4' energy: -91.587
flat angles C4'-P-C4' energy: -68.422
flat angles P-C4'-P energy: -54.288
tors. eta vs tors. theta energy: 0.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -383.775400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.775400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.775400 (E_RNA)
where:
Base-Base interactions energy: -122.115
where: short stacking energy: -102.710
Base-Backbone interact. energy: -1.449
local terms energy: -260.210640
where:
bonds (distance) C4'-P energy: -81.213
bonds (distance) P-C4' energy: -79.187
flat angles C4'-P-C4' energy: -61.035
flat angles P-C4'-P energy: -33.877
tors. eta vs tors. theta energy: -4.898
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: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -341.033152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.033152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.033152 (E_RNA)
where:
Base-Base interactions energy: -122.564
where: short stacking energy: -112.318
Base-Backbone interact. energy: -0.285
local terms energy: -218.185077
where:
bonds (distance) C4'-P energy: -53.076
bonds (distance) P-C4' energy: -59.977
flat angles C4'-P-C4' energy: -79.048
flat angles P-C4'-P energy: -27.084
tors. eta vs tors. theta energy: 1.000
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1249.201949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.201949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.201949 (E_RNA)
where:
Base-Base interactions energy: -758.163
where: short stacking energy: -432.426
Base-Backbone interact. energy: 0.305
local terms energy: -491.344011
where:
bonds (distance) C4'-P energy: -82.012
bonds (distance) P-C4' energy: -100.498
flat angles C4'-P-C4' energy: -104.582
flat angles P-C4'-P energy: -64.982
tors. eta vs tors. theta energy: -139.270
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: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1133.860056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.860056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.860056 (E_RNA)
where:
Base-Base interactions energy: -682.823
where: short stacking energy: -401.405
Base-Backbone interact. energy: -0.771
local terms energy: -450.265254
where:
bonds (distance) C4'-P energy: -86.945
bonds (distance) P-C4' energy: -77.669
flat angles C4'-P-C4' energy: -106.186
flat angles P-C4'-P energy: -64.664
tors. eta vs tors. theta energy: -114.802
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: 3, replica: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -922.173192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.173192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.173192 (E_RNA)
where:
Base-Base interactions energy: -504.647
where: short stacking energy: -305.995
Base-Backbone interact. energy: 1.197
local terms energy: -418.723551
where:
bonds (distance) C4'-P energy: -85.866
bonds (distance) P-C4' energy: -99.227
flat angles C4'-P-C4' energy: -96.575
flat angles P-C4'-P energy: -66.503
tors. eta vs tors. theta energy: -70.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -879.989847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.989847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.989847 (E_RNA)
where:
Base-Base interactions energy: -511.731
where: short stacking energy: -297.355
Base-Backbone interact. energy: -0.338
local terms energy: -367.921343
where:
bonds (distance) C4'-P energy: -72.486
bonds (distance) P-C4' energy: -85.234
flat angles C4'-P-C4' energy: -85.026
flat angles P-C4'-P energy: -54.870
tors. eta vs tors. theta energy: -70.305
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: 367
Temperature: 1.100000
Total energy: -656.117636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.117636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.117636 (E_RNA)
where:
Base-Base interactions energy: -328.990
where: short stacking energy: -207.975
Base-Backbone interact. energy: 0.576
local terms energy: -327.703409
where:
bonds (distance) C4'-P energy: -78.516
bonds (distance) P-C4' energy: -93.721
flat angles C4'-P-C4' energy: -82.729
flat angles P-C4'-P energy: -44.691
tors. eta vs tors. theta energy: -28.046
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: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -607.697405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.697405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.697405 (E_RNA)
where:
Base-Base interactions energy: -268.181
where: short stacking energy: -184.300
Base-Backbone interact. energy: -1.632
local terms energy: -337.884535
where:
bonds (distance) C4'-P energy: -80.472
bonds (distance) P-C4' energy: -90.488
flat angles C4'-P-C4' energy: -82.604
flat angles P-C4'-P energy: -56.541
tors. eta vs tors. theta energy: -27.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -422.967924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.967924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.967924 (E_RNA)
where:
Base-Base interactions energy: -147.586
where: short stacking energy: -144.643
Base-Backbone interact. energy: 0.178
local terms energy: -275.559967
where:
bonds (distance) C4'-P energy: -69.546
bonds (distance) P-C4' energy: -87.382
flat angles C4'-P-C4' energy: -66.372
flat angles P-C4'-P energy: -41.820
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -501.575133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.575133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.575133 (E_RNA)
where:
Base-Base interactions energy: -203.642
where: short stacking energy: -157.930
Base-Backbone interact. energy: -1.977
local terms energy: -295.956247
where:
bonds (distance) C4'-P energy: -76.262
bonds (distance) P-C4' energy: -71.500
flat angles C4'-P-C4' energy: -87.906
flat angles P-C4'-P energy: -52.247
tors. eta vs tors. theta energy: -8.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -362.762796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.762796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.762796 (E_RNA)
where:
Base-Base interactions energy: -106.648
where: short stacking energy: -93.421
Base-Backbone interact. energy: -4.185
local terms energy: -251.929734
where:
bonds (distance) C4'-P energy: -82.953
bonds (distance) P-C4' energy: -67.444
flat angles C4'-P-C4' energy: -63.578
flat angles P-C4'-P energy: -42.687
tors. eta vs tors. theta energy: 4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -370.691501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.691501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.691501 (E_RNA)
where:
Base-Base interactions energy: -126.914
where: short stacking energy: -122.480
Base-Backbone interact. energy: 4.403
local terms energy: -248.180403
where:
bonds (distance) C4'-P energy: -50.770
bonds (distance) P-C4' energy: -86.591
flat angles C4'-P-C4' energy: -58.387
flat angles P-C4'-P energy: -43.659
tors. eta vs tors. theta energy: -8.774
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1262.742041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.742041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.742041 (E_RNA)
where:
Base-Base interactions energy: -771.526
where: short stacking energy: -454.422
Base-Backbone interact. energy: -0.624
local terms energy: -490.592672
where:
bonds (distance) C4'-P energy: -81.521
bonds (distance) P-C4' energy: -92.452
flat angles C4'-P-C4' energy: -109.672
flat angles P-C4'-P energy: -71.229
tors. eta vs tors. theta energy: -135.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1136.557262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.557262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.557262 (E_RNA)
where:
Base-Base interactions energy: -675.728
where: short stacking energy: -395.583
Base-Backbone interact. energy: -0.640
local terms energy: -460.188742
where:
bonds (distance) C4'-P energy: -86.678
bonds (distance) P-C4' energy: -90.635
flat angles C4'-P-C4' energy: -96.435
flat angles P-C4'-P energy: -67.865
tors. eta vs tors. theta energy: -118.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -949.198066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.198066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.198066 (E_RNA)
where:
Base-Base interactions energy: -505.247
where: short stacking energy: -309.319
Base-Backbone interact. energy: -0.992
local terms energy: -442.959083
where:
bonds (distance) C4'-P energy: -91.928
bonds (distance) P-C4' energy: -93.452
flat angles C4'-P-C4' energy: -104.623
flat angles P-C4'-P energy: -68.382
tors. eta vs tors. theta energy: -84.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -901.936961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.936961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.936961 (E_RNA)
where:
Base-Base interactions energy: -501.511
where: short stacking energy: -299.565
Base-Backbone interact. energy: -0.428
local terms energy: -399.997346
where:
bonds (distance) C4'-P energy: -87.867
bonds (distance) P-C4' energy: -82.149
flat angles C4'-P-C4' energy: -98.491
flat angles P-C4'-P energy: -53.302
tors. eta vs tors. theta energy: -78.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -702.477786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.477786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.477786 (E_RNA)
where:
Base-Base interactions energy: -361.349
where: short stacking energy: -208.091
Base-Backbone interact. energy: -0.416
local terms energy: -340.713037
where:
bonds (distance) C4'-P energy: -97.791
bonds (distance) P-C4' energy: -84.138
flat angles C4'-P-C4' energy: -79.927
flat angles P-C4'-P energy: -37.543
tors. eta vs tors. theta energy: -41.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -598.394935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.394935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.394935 (E_RNA)
where:
Base-Base interactions energy: -267.109
where: short stacking energy: -199.218
Base-Backbone interact. energy: -0.828
local terms energy: -330.458247
where:
bonds (distance) C4'-P energy: -88.381
bonds (distance) P-C4' energy: -77.184
flat angles C4'-P-C4' energy: -80.812
flat angles P-C4'-P energy: -57.963
tors. eta vs tors. theta energy: -26.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -491.654429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.654429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.654429 (E_RNA)
where:
Base-Base interactions energy: -211.060
where: short stacking energy: -149.193
Base-Backbone interact. energy: -0.434
local terms energy: -280.159719
where:
bonds (distance) C4'-P energy: -87.743
bonds (distance) P-C4' energy: -91.015
flat angles C4'-P-C4' energy: -67.338
flat angles P-C4'-P energy: -25.209
tors. eta vs tors. theta energy: -8.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -440.265878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.265878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.265878 (E_RNA)
where:
Base-Base interactions energy: -134.531
where: short stacking energy: -119.168
Base-Backbone interact. energy: -0.756
local terms energy: -304.978936
where:
bonds (distance) C4'-P energy: -88.347
bonds (distance) P-C4' energy: -81.054
flat angles C4'-P-C4' energy: -84.568
flat angles P-C4'-P energy: -52.912
tors. eta vs tors. theta energy: 1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -383.225905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.225905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.225905 (E_RNA)
where:
Base-Base interactions energy: -126.676
where: short stacking energy: -113.522
Base-Backbone interact. energy: 1.214
local terms energy: -257.764194
where:
bonds (distance) C4'-P energy: -63.487
bonds (distance) P-C4' energy: -74.793
flat angles C4'-P-C4' energy: -79.833
flat angles P-C4'-P energy: -41.094
tors. eta vs tors. theta energy: 1.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -341.170685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.170685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.170685 (E_RNA)
where:
Base-Base interactions energy: -104.306
where: short stacking energy: -97.554
Base-Backbone interact. energy: -1.817
local terms energy: -235.048274
where:
bonds (distance) C4'-P energy: -91.054
bonds (distance) P-C4' energy: -80.221
flat angles C4'-P-C4' energy: -49.637
flat angles P-C4'-P energy: -37.584
tors. eta vs tors. theta energy: 23.448
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1270.469490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.469490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.469490 (E_RNA)
where:
Base-Base interactions energy: -790.560
where: short stacking energy: -448.335
Base-Backbone interact. energy: -0.848
local terms energy: -479.061511
where:
bonds (distance) C4'-P energy: -80.289
bonds (distance) P-C4' energy: -83.818
flat angles C4'-P-C4' energy: -98.767
flat angles P-C4'-P energy: -73.257
tors. eta vs tors. theta energy: -142.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1092.162365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.162365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.162365 (E_RNA)
where:
Base-Base interactions energy: -641.633
where: short stacking energy: -366.075
Base-Backbone interact. energy: -0.006
local terms energy: -450.523493
where:
bonds (distance) C4'-P energy: -98.060
bonds (distance) P-C4' energy: -84.750
flat angles C4'-P-C4' energy: -95.622
flat angles P-C4'-P energy: -54.138
tors. eta vs tors. theta energy: -117.954
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: 3, replica: 5
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -903.692077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.692077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.692077 (E_RNA)
where:
Base-Base interactions energy: -481.132
where: short stacking energy: -306.907
Base-Backbone interact. energy: 0.758
local terms energy: -423.318189
where:
bonds (distance) C4'-P energy: -91.496
bonds (distance) P-C4' energy: -96.963
flat angles C4'-P-C4' energy: -99.256
flat angles P-C4'-P energy: -58.088
tors. eta vs tors. theta energy: -77.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -907.286315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.286315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.286315 (E_RNA)
where:
Base-Base interactions energy: -499.713
where: short stacking energy: -302.354
Base-Backbone interact. energy: -1.872
local terms energy: -405.701131
where:
bonds (distance) C4'-P energy: -83.217
bonds (distance) P-C4' energy: -81.935
flat angles C4'-P-C4' energy: -101.079
flat angles P-C4'-P energy: -64.194
tors. eta vs tors. theta energy: -75.277
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: 369
Temperature: 1.100000
Total energy: -742.021800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.021800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.021800 (E_RNA)
where:
Base-Base interactions energy: -376.738
where: short stacking energy: -235.260
Base-Backbone interact. energy: -3.276
local terms energy: -362.008236
where:
bonds (distance) C4'-P energy: -87.148
bonds (distance) P-C4' energy: -81.224
flat angles C4'-P-C4' energy: -86.479
flat angles P-C4'-P energy: -58.174
tors. eta vs tors. theta energy: -48.984
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: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -562.184192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.184192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.184192 (E_RNA)
where:
Base-Base interactions energy: -241.210
where: short stacking energy: -178.479
Base-Backbone interact. energy: 1.229
local terms energy: -322.203813
where:
bonds (distance) C4'-P energy: -90.401
bonds (distance) P-C4' energy: -85.995
flat angles C4'-P-C4' energy: -71.289
flat angles P-C4'-P energy: -48.693
tors. eta vs tors. theta energy: -25.825
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: 7, replica: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -475.175007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.175007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.175007 (E_RNA)
where:
Base-Base interactions energy: -187.076
where: short stacking energy: -153.200
Base-Backbone interact. energy: -0.193
local terms energy: -287.905927
where:
bonds (distance) C4'-P energy: -84.596
bonds (distance) P-C4' energy: -71.302
flat angles C4'-P-C4' energy: -79.947
flat angles P-C4'-P energy: -50.818
tors. eta vs tors. theta energy: -1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -402.617779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.617779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.617779 (E_RNA)
where:
Base-Base interactions energy: -133.565
where: short stacking energy: -126.980
Base-Backbone interact. energy: 3.597
local terms energy: -272.649691
where:
bonds (distance) C4'-P energy: -73.120
bonds (distance) P-C4' energy: -85.110
flat angles C4'-P-C4' energy: -72.893
flat angles P-C4'-P energy: -37.227
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: 9, replica: 1
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -371.572431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.572431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.572431 (E_RNA)
where:
Base-Base interactions energy: -121.962
where: short stacking energy: -108.749
Base-Backbone interact. energy: 11.821
local terms energy: -261.431048
where:
bonds (distance) C4'-P energy: -79.935
bonds (distance) P-C4' energy: -80.620
flat angles C4'-P-C4' energy: -71.825
flat angles P-C4'-P energy: -32.370
tors. eta vs tors. theta energy: 3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -351.970048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.970048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.970048 (E_RNA)
where:
Base-Base interactions energy: -96.499
where: short stacking energy: -85.160
Base-Backbone interact. energy: 1.978
local terms energy: -257.448856
where:
bonds (distance) C4'-P energy: -85.546
bonds (distance) P-C4' energy: -75.683
flat angles C4'-P-C4' energy: -55.928
flat angles P-C4'-P energy: -51.103
tors. eta vs tors. theta energy: 10.810
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1265.555179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.555179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.555179 (E_RNA)
where:
Base-Base interactions energy: -766.328
where: short stacking energy: -416.182
Base-Backbone interact. energy: -3.466
local terms energy: -495.761939
where:
bonds (distance) C4'-P energy: -89.914
bonds (distance) P-C4' energy: -98.458
flat angles C4'-P-C4' energy: -109.888
flat angles P-C4'-P energy: -72.472
tors. eta vs tors. theta energy: -125.031
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: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1097.031090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.031090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.031090 (E_RNA)
where:
Base-Base interactions energy: -631.507
where: short stacking energy: -390.383
Base-Backbone interact. energy: -0.556
local terms energy: -464.968531
where:
bonds (distance) C4'-P energy: -92.557
bonds (distance) P-C4' energy: -101.514
flat angles C4'-P-C4' energy: -98.578
flat angles P-C4'-P energy: -60.872
tors. eta vs tors. theta energy: -111.447
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: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -916.574425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.574425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.574425 (E_RNA)
where:
Base-Base interactions energy: -485.646
where: short stacking energy: -311.710
Base-Backbone interact. energy: -1.374
local terms energy: -429.554392
where:
bonds (distance) C4'-P energy: -93.675
bonds (distance) P-C4' energy: -79.357
flat angles C4'-P-C4' energy: -105.992
flat angles P-C4'-P energy: -60.205
tors. eta vs tors. theta energy: -90.326
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: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -842.528645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.528645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.528645 (E_RNA)
where:
Base-Base interactions energy: -443.274
where: short stacking energy: -272.534
Base-Backbone interact. energy: -1.296
local terms energy: -397.959217
where:
bonds (distance) C4'-P energy: -105.312
bonds (distance) P-C4' energy: -81.698
flat angles C4'-P-C4' energy: -90.691
flat angles P-C4'-P energy: -53.682
tors. eta vs tors. theta energy: -66.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -739.505661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.505661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.505661 (E_RNA)
where:
Base-Base interactions energy: -403.227
where: short stacking energy: -231.790
Base-Backbone interact. energy: -2.737
local terms energy: -333.541668
where:
bonds (distance) C4'-P energy: -82.953
bonds (distance) P-C4' energy: -83.247
flat angles C4'-P-C4' energy: -79.382
flat angles P-C4'-P energy: -52.588
tors. eta vs tors. theta energy: -35.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -552.915601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.915601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.915601 (E_RNA)
where:
Base-Base interactions energy: -242.775
where: short stacking energy: -185.374
Base-Backbone interact. energy: -1.031
local terms energy: -309.110276
where:
bonds (distance) C4'-P energy: -80.956
bonds (distance) P-C4' energy: -94.217
flat angles C4'-P-C4' energy: -69.536
flat angles P-C4'-P energy: -35.504
tors. eta vs tors. theta energy: -28.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -444.422214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.422214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.422214 (E_RNA)
where:
Base-Base interactions energy: -163.924
where: short stacking energy: -140.638
Base-Backbone interact. energy: 3.545
local terms energy: -284.042883
where:
bonds (distance) C4'-P energy: -90.456
bonds (distance) P-C4' energy: -68.881
flat angles C4'-P-C4' energy: -77.304
flat angles P-C4'-P energy: -51.326
tors. eta vs tors. theta energy: 3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -430.274268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.274268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.274268 (E_RNA)
where:
Base-Base interactions energy: -167.336
where: short stacking energy: -116.050
Base-Backbone interact. energy: 0.097
local terms energy: -263.035800
where:
bonds (distance) C4'-P energy: -78.787
bonds (distance) P-C4' energy: -82.474
flat angles C4'-P-C4' energy: -64.360
flat angles P-C4'-P energy: -51.664
tors. eta vs tors. theta energy: 14.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -385.068404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.068404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.068404 (E_RNA)
where:
Base-Base interactions energy: -127.352
where: short stacking energy: -117.462
Base-Backbone interact. energy: -0.351
local terms energy: -257.365930
where:
bonds (distance) C4'-P energy: -64.192
bonds (distance) P-C4' energy: -77.850
flat angles C4'-P-C4' energy: -51.150
flat angles P-C4'-P energy: -54.653
tors. eta vs tors. theta energy: -9.520
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: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -353.825505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.825505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.825505 (E_RNA)
where:
Base-Base interactions energy: -108.772
where: short stacking energy: -88.702
Base-Backbone interact. energy: -0.358
local terms energy: -244.695437
where:
bonds (distance) C4'-P energy: -70.223
bonds (distance) P-C4' energy: -77.880
flat angles C4'-P-C4' energy: -61.644
flat angles P-C4'-P energy: -46.950
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1302.240628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.240628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.240628 (E_RNA)
where:
Base-Base interactions energy: -811.534
where: short stacking energy: -436.100
Base-Backbone interact. energy: -1.835
local terms energy: -488.871509
where:
bonds (distance) C4'-P energy: -104.055
bonds (distance) P-C4' energy: -85.577
flat angles C4'-P-C4' energy: -99.306
flat angles P-C4'-P energy: -61.731
tors. eta vs tors. theta energy: -138.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1116.608914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.608914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.608914 (E_RNA)
where:
Base-Base interactions energy: -671.590
where: short stacking energy: -399.700
Base-Backbone interact. energy: -1.399
local terms energy: -443.619729
where:
bonds (distance) C4'-P energy: -82.611
bonds (distance) P-C4' energy: -78.979
flat angles C4'-P-C4' energy: -99.783
flat angles P-C4'-P energy: -63.875
tors. eta vs tors. theta energy: -118.371
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: 3, replica: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -919.733230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.733230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.733230 (E_RNA)
where:
Base-Base interactions energy: -492.113
where: short stacking energy: -314.905
Base-Backbone interact. energy: -0.201
local terms energy: -427.420043
where:
bonds (distance) C4'-P energy: -87.459
bonds (distance) P-C4' energy: -99.741
flat angles C4'-P-C4' energy: -84.367
flat angles P-C4'-P energy: -70.000
tors. eta vs tors. theta energy: -85.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -836.129182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.129182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.129182 (E_RNA)
where:
Base-Base interactions energy: -437.969
where: short stacking energy: -288.865
Base-Backbone interact. energy: -1.865
local terms energy: -396.295856
where:
bonds (distance) C4'-P energy: -71.752
bonds (distance) P-C4' energy: -90.414
flat angles C4'-P-C4' energy: -98.900
flat angles P-C4'-P energy: -60.230
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: 5, replica: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -749.963326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.963326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.963326 (E_RNA)
where:
Base-Base interactions energy: -396.517
where: short stacking energy: -238.748
Base-Backbone interact. energy: 2.626
local terms energy: -356.072036
where:
bonds (distance) C4'-P energy: -88.500
bonds (distance) P-C4' energy: -87.201
flat angles C4'-P-C4' energy: -79.015
flat angles P-C4'-P energy: -53.761
tors. eta vs tors. theta energy: -47.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -551.902366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.902366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.902366 (E_RNA)
where:
Base-Base interactions energy: -253.915
where: short stacking energy: -178.484
Base-Backbone interact. energy: 0.852
local terms energy: -298.838773
where:
bonds (distance) C4'-P energy: -82.269
bonds (distance) P-C4' energy: -82.113
flat angles C4'-P-C4' energy: -71.266
flat angles P-C4'-P energy: -53.908
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -500.428845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.428845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.428845 (E_RNA)
where:
Base-Base interactions energy: -204.309
where: short stacking energy: -172.368
Base-Backbone interact. energy: 2.255
local terms energy: -298.374839
where:
bonds (distance) C4'-P energy: -74.620
bonds (distance) P-C4' energy: -87.059
flat angles C4'-P-C4' energy: -65.939
flat angles P-C4'-P energy: -57.679
tors. eta vs tors. theta energy: -13.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -401.233354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.233354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.233354 (E_RNA)
where:
Base-Base interactions energy: -149.964
where: short stacking energy: -135.125
Base-Backbone interact. energy: 1.473
local terms energy: -252.742285
where:
bonds (distance) C4'-P energy: -76.058
bonds (distance) P-C4' energy: -80.783
flat angles C4'-P-C4' energy: -65.413
flat angles P-C4'-P energy: -44.087
tors. eta vs tors. theta energy: 13.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -385.328712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.328712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.328712 (E_RNA)
where:
Base-Base interactions energy: -149.893
where: short stacking energy: -140.017
Base-Backbone interact. energy: 2.452
local terms energy: -237.887686
where:
bonds (distance) C4'-P energy: -69.871
bonds (distance) P-C4' energy: -66.420
flat angles C4'-P-C4' energy: -77.139
flat angles P-C4'-P energy: -41.396
tors. eta vs tors. theta energy: 16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -350.985599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.985599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.985599 (E_RNA)
where:
Base-Base interactions energy: -115.088
where: short stacking energy: -110.050
Base-Backbone interact. energy: 2.853
local terms energy: -238.750593
where:
bonds (distance) C4'-P energy: -77.068
bonds (distance) P-C4' energy: -80.636
flat angles C4'-P-C4' energy: -67.886
flat angles P-C4'-P energy: -32.681
tors. eta vs tors. theta energy: 19.520
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1280.222202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.222202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.222202 (E_RNA)
where:
Base-Base interactions energy: -781.028
where: short stacking energy: -442.893
Base-Backbone interact. energy: 0.203
local terms energy: -499.397609
where:
bonds (distance) C4'-P energy: -90.965
bonds (distance) P-C4' energy: -93.312
flat angles C4'-P-C4' energy: -99.316
flat angles P-C4'-P energy: -67.842
tors. eta vs tors. theta energy: -147.962
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: 8
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1119.990965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.990965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.990965 (E_RNA)
where:
Base-Base interactions energy: -670.122
where: short stacking energy: -398.986
Base-Backbone interact. energy: 1.850
local terms energy: -451.719252
where:
bonds (distance) C4'-P energy: -87.825
bonds (distance) P-C4' energy: -91.616
flat angles C4'-P-C4' energy: -96.439
flat angles P-C4'-P energy: -58.755
tors. eta vs tors. theta energy: -117.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -923.590602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.590602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.590602 (E_RNA)
where:
Base-Base interactions energy: -499.231
where: short stacking energy: -305.078
Base-Backbone interact. energy: 2.268
local terms energy: -426.627803
where:
bonds (distance) C4'-P energy: -96.513
bonds (distance) P-C4' energy: -85.808
flat angles C4'-P-C4' energy: -88.508
flat angles P-C4'-P energy: -66.058
tors. eta vs tors. theta energy: -89.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -889.598758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.598758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.598758 (E_RNA)
where:
Base-Base interactions energy: -477.046
where: short stacking energy: -313.826
Base-Backbone interact. energy: 0.799
local terms energy: -413.351695
where:
bonds (distance) C4'-P energy: -87.282
bonds (distance) P-C4' energy: -98.778
flat angles C4'-P-C4' energy: -82.445
flat angles P-C4'-P energy: -57.905
tors. eta vs tors. theta energy: -86.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -737.818108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.818108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.818108 (E_RNA)
where:
Base-Base interactions energy: -393.390
where: short stacking energy: -244.262
Base-Backbone interact. energy: 7.511
local terms energy: -351.939168
where:
bonds (distance) C4'-P energy: -72.382
bonds (distance) P-C4' energy: -87.776
flat angles C4'-P-C4' energy: -93.156
flat angles P-C4'-P energy: -44.440
tors. eta vs tors. theta energy: -54.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -572.772664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.772664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.772664 (E_RNA)
where:
Base-Base interactions energy: -257.914
where: short stacking energy: -172.309
Base-Backbone interact. energy: -1.687
local terms energy: -313.171742
where:
bonds (distance) C4'-P energy: -83.831
bonds (distance) P-C4' energy: -82.439
flat angles C4'-P-C4' energy: -81.187
flat angles P-C4'-P energy: -61.924
tors. eta vs tors. theta energy: -3.791
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: 372
Temperature: 1.200000
Total energy: -439.865618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.865618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.865618 (E_RNA)
where:
Base-Base interactions energy: -157.666
where: short stacking energy: -115.205
Base-Backbone interact. energy: -1.154
local terms energy: -281.045512
where:
bonds (distance) C4'-P energy: -73.198
bonds (distance) P-C4' energy: -90.530
flat angles C4'-P-C4' energy: -62.040
flat angles P-C4'-P energy: -43.626
tors. eta vs tors. theta energy: -11.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -441.522445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.522445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.522445 (E_RNA)
where:
Base-Base interactions energy: -184.175
where: short stacking energy: -138.575
Base-Backbone interact. energy: -1.513
local terms energy: -255.834672
where:
bonds (distance) C4'-P energy: -68.709
bonds (distance) P-C4' energy: -82.034
flat angles C4'-P-C4' energy: -53.169
flat angles P-C4'-P energy: -44.094
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: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -370.227621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.227621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.227621 (E_RNA)
where:
Base-Base interactions energy: -121.833
where: short stacking energy: -105.322
Base-Backbone interact. energy: 1.145
local terms energy: -249.539030
where:
bonds (distance) C4'-P energy: -77.849
bonds (distance) P-C4' energy: -74.505
flat angles C4'-P-C4' energy: -63.256
flat angles P-C4'-P energy: -45.433
tors. eta vs tors. theta energy: 11.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -373.954274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.954274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.954274 (E_RNA)
where:
Base-Base interactions energy: -135.814
where: short stacking energy: -120.932
Base-Backbone interact. energy: 7.205
local terms energy: -245.345021
where:
bonds (distance) C4'-P energy: -84.252
bonds (distance) P-C4' energy: -72.808
flat angles C4'-P-C4' energy: -47.650
flat angles P-C4'-P energy: -41.611
tors. eta vs tors. theta energy: 0.976
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1280.895520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.895520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.895520 (E_RNA)
where:
Base-Base interactions energy: -791.630
where: short stacking energy: -438.003
Base-Backbone interact. energy: -4.233
local terms energy: -485.032710
where:
bonds (distance) C4'-P energy: -88.918
bonds (distance) P-C4' energy: -86.409
flat angles C4'-P-C4' energy: -109.360
flat angles P-C4'-P energy: -65.286
tors. eta vs tors. theta energy: -135.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1158.370157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.370157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.370157 (E_RNA)
where:
Base-Base interactions energy: -700.196
where: short stacking energy: -398.561
Base-Backbone interact. energy: 1.686
local terms energy: -459.859817
where:
bonds (distance) C4'-P energy: -87.269
bonds (distance) P-C4' energy: -88.434
flat angles C4'-P-C4' energy: -89.140
flat angles P-C4'-P energy: -68.112
tors. eta vs tors. theta energy: -126.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -910.465798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.465798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.465798 (E_RNA)
where:
Base-Base interactions energy: -494.065
where: short stacking energy: -337.460
Base-Backbone interact. energy: -1.105
local terms energy: -415.295417
where:
bonds (distance) C4'-P energy: -82.145
bonds (distance) P-C4' energy: -96.567
flat angles C4'-P-C4' energy: -92.139
flat angles P-C4'-P energy: -50.849
tors. eta vs tors. theta energy: -93.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -864.594633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.594633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.594633 (E_RNA)
where:
Base-Base interactions energy: -470.227
where: short stacking energy: -287.972
Base-Backbone interact. energy: 2.340
local terms energy: -396.707755
where:
bonds (distance) C4'-P energy: -98.480
bonds (distance) P-C4' energy: -85.392
flat angles C4'-P-C4' energy: -98.523
flat angles P-C4'-P energy: -54.121
tors. eta vs tors. theta energy: -60.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -716.859608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.859608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.859608 (E_RNA)
where:
Base-Base interactions energy: -351.031
where: short stacking energy: -229.524
Base-Backbone interact. energy: -2.630
local terms energy: -363.198734
where:
bonds (distance) C4'-P energy: -90.940
bonds (distance) P-C4' energy: -93.254
flat angles C4'-P-C4' energy: -91.045
flat angles P-C4'-P energy: -55.005
tors. eta vs tors. theta energy: -32.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -568.403557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.403557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.403557 (E_RNA)
where:
Base-Base interactions energy: -263.133
where: short stacking energy: -177.769
Base-Backbone interact. energy: 2.349
local terms energy: -307.619553
where:
bonds (distance) C4'-P energy: -83.769
bonds (distance) P-C4' energy: -89.756
flat angles C4'-P-C4' energy: -57.809
flat angles P-C4'-P energy: -43.522
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: 7, replica: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -479.251498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.251498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.251498 (E_RNA)
where:
Base-Base interactions energy: -170.787
where: short stacking energy: -148.629
Base-Backbone interact. energy: -0.046
local terms energy: -308.419279
where:
bonds (distance) C4'-P energy: -90.384
bonds (distance) P-C4' energy: -88.574
flat angles C4'-P-C4' energy: -75.824
flat angles P-C4'-P energy: -42.704
tors. eta vs tors. theta energy: -10.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -438.299416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.299416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.299416 (E_RNA)
where:
Base-Base interactions energy: -160.528
where: short stacking energy: -144.730
Base-Backbone interact. energy: 0.159
local terms energy: -277.930150
where:
bonds (distance) C4'-P energy: -81.444
bonds (distance) P-C4' energy: -81.090
flat angles C4'-P-C4' energy: -72.985
flat angles P-C4'-P energy: -33.849
tors. eta vs tors. theta energy: -8.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -371.078788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.078788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.078788 (E_RNA)
where:
Base-Base interactions energy: -128.483
where: short stacking energy: -105.594
Base-Backbone interact. energy: 0.209
local terms energy: -242.804781
where:
bonds (distance) C4'-P energy: -68.417
bonds (distance) P-C4' energy: -69.351
flat angles C4'-P-C4' energy: -65.326
flat angles P-C4'-P energy: -42.056
tors. eta vs tors. theta energy: 2.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -338.339686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.339686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.339686 (E_RNA)
where:
Base-Base interactions energy: -101.779
where: short stacking energy: -95.971
Base-Backbone interact. energy: 1.764
local terms energy: -238.324926
where:
bonds (distance) C4'-P energy: -78.641
bonds (distance) P-C4' energy: -81.199
flat angles C4'-P-C4' energy: -67.401
flat angles P-C4'-P energy: -33.206
tors. eta vs tors. theta energy: 22.124
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1283.732363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.732363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.732363 (E_RNA)
where:
Base-Base interactions energy: -784.329
where: short stacking energy: -447.850
Base-Backbone interact. energy: 0.883
local terms energy: -500.286502
where:
bonds (distance) C4'-P energy: -88.399
bonds (distance) P-C4' energy: -99.283
flat angles C4'-P-C4' energy: -96.072
flat angles P-C4'-P energy: -75.460
tors. eta vs tors. theta energy: -141.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1143.932190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.932190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.932190 (E_RNA)
where:
Base-Base interactions energy: -671.569
where: short stacking energy: -407.749
Base-Backbone interact. energy: 2.911
local terms energy: -475.273728
where:
bonds (distance) C4'-P energy: -89.771
bonds (distance) P-C4' energy: -88.255
flat angles C4'-P-C4' energy: -112.573
flat angles P-C4'-P energy: -70.479
tors. eta vs tors. theta energy: -114.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -898.412999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.412999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.412999 (E_RNA)
where:
Base-Base interactions energy: -483.142
where: short stacking energy: -300.154
Base-Backbone interact. energy: -1.366
local terms energy: -413.904792
where:
bonds (distance) C4'-P energy: -83.044
bonds (distance) P-C4' energy: -99.485
flat angles C4'-P-C4' energy: -96.954
flat angles P-C4'-P energy: -68.974
tors. eta vs tors. theta energy: -65.448
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: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -859.006982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.006982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.006982 (E_RNA)
where:
Base-Base interactions energy: -472.524
where: short stacking energy: -286.606
Base-Backbone interact. energy: 0.203
local terms energy: -386.686565
where:
bonds (distance) C4'-P energy: -78.706
bonds (distance) P-C4' energy: -87.551
flat angles C4'-P-C4' energy: -87.821
flat angles P-C4'-P energy: -62.632
tors. eta vs tors. theta energy: -69.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -751.148331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.148331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.148331 (E_RNA)
where:
Base-Base interactions energy: -397.968
where: short stacking energy: -251.719
Base-Backbone interact. energy: 2.117
local terms energy: -355.296848
where:
bonds (distance) C4'-P energy: -82.068
bonds (distance) P-C4' energy: -81.163
flat angles C4'-P-C4' energy: -77.384
flat angles P-C4'-P energy: -58.017
tors. eta vs tors. theta energy: -56.664
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: 2
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -618.689378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.689378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.689378 (E_RNA)
where:
Base-Base interactions energy: -303.225
where: short stacking energy: -207.061
Base-Backbone interact. energy: 1.560
local terms energy: -317.024756
where:
bonds (distance) C4'-P energy: -79.939
bonds (distance) P-C4' energy: -87.248
flat angles C4'-P-C4' energy: -77.189
flat angles P-C4'-P energy: -44.495
tors. eta vs tors. theta energy: -28.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -456.926932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.926932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.926932 (E_RNA)
where:
Base-Base interactions energy: -152.863
where: short stacking energy: -124.191
Base-Backbone interact. energy: -1.118
local terms energy: -302.945836
where:
bonds (distance) C4'-P energy: -87.492
bonds (distance) P-C4' energy: -88.447
flat angles C4'-P-C4' energy: -73.230
flat angles P-C4'-P energy: -45.113
tors. eta vs tors. theta energy: -8.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -419.655010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.655010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.655010 (E_RNA)
where:
Base-Base interactions energy: -136.212
where: short stacking energy: -116.069
Base-Backbone interact. energy: -1.709
local terms energy: -281.734010
where:
bonds (distance) C4'-P energy: -68.835
bonds (distance) P-C4' energy: -91.470
flat angles C4'-P-C4' energy: -76.667
flat angles P-C4'-P energy: -38.434
tors. eta vs tors. theta energy: -6.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -375.540675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.540675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.540675 (E_RNA)
where:
Base-Base interactions energy: -129.406
where: short stacking energy: -100.214
Base-Backbone interact. energy: 1.482
local terms energy: -247.616088
where:
bonds (distance) C4'-P energy: -73.796
bonds (distance) P-C4' energy: -90.592
flat angles C4'-P-C4' energy: -67.574
flat angles P-C4'-P energy: -21.747
tors. eta vs tors. theta energy: 6.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -388.765281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.765281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.765281 (E_RNA)
where:
Base-Base interactions energy: -134.495
where: short stacking energy: -123.237
Base-Backbone interact. energy: -1.610
local terms energy: -252.660875
where:
bonds (distance) C4'-P energy: -67.710
bonds (distance) P-C4' energy: -75.008
flat angles C4'-P-C4' energy: -60.319
flat angles P-C4'-P energy: -45.794
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1313.576146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.576146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.576146 (E_RNA)
where:
Base-Base interactions energy: -807.988
where: short stacking energy: -458.873
Base-Backbone interact. energy: -2.264
local terms energy: -503.323633
where:
bonds (distance) C4'-P energy: -95.105
bonds (distance) P-C4' energy: -86.394
flat angles C4'-P-C4' energy: -99.229
flat angles P-C4'-P energy: -77.424
tors. eta vs tors. theta energy: -145.173
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: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1189.137060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.137060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.137060 (E_RNA)
where:
Base-Base interactions energy: -705.389
where: short stacking energy: -420.372
Base-Backbone interact. energy: -1.132
local terms energy: -482.616628
where:
bonds (distance) C4'-P energy: -83.728
bonds (distance) P-C4' energy: -97.318
flat angles C4'-P-C4' energy: -99.625
flat angles P-C4'-P energy: -69.774
tors. eta vs tors. theta energy: -132.172
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: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -896.081239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.081239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.081239 (E_RNA)
where:
Base-Base interactions energy: -479.654
where: short stacking energy: -296.357
Base-Backbone interact. energy: -1.776
local terms energy: -414.651001
where:
bonds (distance) C4'-P energy: -92.537
bonds (distance) P-C4' energy: -97.851
flat angles C4'-P-C4' energy: -93.108
flat angles P-C4'-P energy: -64.719
tors. eta vs tors. theta energy: -66.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -812.878278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.878278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.878278 (E_RNA)
where:
Base-Base interactions energy: -444.802
where: short stacking energy: -270.343
Base-Backbone interact. energy: 2.228
local terms energy: -370.304435
where:
bonds (distance) C4'-P energy: -80.463
bonds (distance) P-C4' energy: -85.034
flat angles C4'-P-C4' energy: -81.186
flat angles P-C4'-P energy: -56.165
tors. eta vs tors. theta energy: -67.456
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: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -741.346533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.346533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.346533 (E_RNA)
where:
Base-Base interactions energy: -354.313
where: short stacking energy: -231.122
Base-Backbone interact. energy: -0.293
local terms energy: -386.739671
where:
bonds (distance) C4'-P energy: -94.151
bonds (distance) P-C4' energy: -92.660
flat angles C4'-P-C4' energy: -97.566
flat angles P-C4'-P energy: -57.656
tors. eta vs tors. theta energy: -44.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -566.740674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.740674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.740674 (E_RNA)
where:
Base-Base interactions energy: -260.336
where: short stacking energy: -193.410
Base-Backbone interact. energy: 1.674
local terms energy: -308.078368
where:
bonds (distance) C4'-P energy: -82.942
bonds (distance) P-C4' energy: -80.328
flat angles C4'-P-C4' energy: -82.146
flat angles P-C4'-P energy: -51.352
tors. eta vs tors. theta energy: -11.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -447.022231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.022231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.022231 (E_RNA)
where:
Base-Base interactions energy: -171.305
where: short stacking energy: -141.517
Base-Backbone interact. energy: 0.335
local terms energy: -276.051870
where:
bonds (distance) C4'-P energy: -73.240
bonds (distance) P-C4' energy: -85.367
flat angles C4'-P-C4' energy: -82.042
flat angles P-C4'-P energy: -40.092
tors. eta vs tors. theta energy: 4.690
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: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -433.172086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.172086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.172086 (E_RNA)
where:
Base-Base interactions energy: -133.514
where: short stacking energy: -110.981
Base-Backbone interact. energy: -1.718
local terms energy: -297.939914
where:
bonds (distance) C4'-P energy: -85.112
bonds (distance) P-C4' energy: -90.626
flat angles C4'-P-C4' energy: -72.057
flat angles P-C4'-P energy: -53.488
tors. eta vs tors. theta energy: 3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -371.491958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.491958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.491958 (E_RNA)
where:
Base-Base interactions energy: -123.997
where: short stacking energy: -118.083
Base-Backbone interact. energy: 0.890
local terms energy: -248.385386
where:
bonds (distance) C4'-P energy: -57.385
bonds (distance) P-C4' energy: -82.431
flat angles C4'-P-C4' energy: -56.715
flat angles P-C4'-P energy: -57.463
tors. eta vs tors. theta energy: 5.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -332.072117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.072117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.072117 (E_RNA)
where:
Base-Base interactions energy: -98.066
where: short stacking energy: -82.533
Base-Backbone interact. energy: 1.677
local terms energy: -235.683214
where:
bonds (distance) C4'-P energy: -69.492
bonds (distance) P-C4' energy: -92.039
flat angles C4'-P-C4' energy: -62.756
flat angles P-C4'-P energy: -36.873
tors. eta vs tors. theta energy: 25.477
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1313.598000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.598000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.598000 (E_RNA)
where:
Base-Base interactions energy: -810.255
where: short stacking energy: -441.342
Base-Backbone interact. energy: 1.765
local terms energy: -505.107969
where:
bonds (distance) C4'-P energy: -88.516
bonds (distance) P-C4' energy: -92.740
flat angles C4'-P-C4' energy: -109.159
flat angles P-C4'-P energy: -70.752
tors. eta vs tors. theta energy: -143.942
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: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1204.074248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.074248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.074248 (E_RNA)
where:
Base-Base interactions energy: -727.265
where: short stacking energy: -405.058
Base-Backbone interact. energy: -1.485
local terms energy: -475.324361
where:
bonds (distance) C4'-P energy: -92.281
bonds (distance) P-C4' energy: -92.371
flat angles C4'-P-C4' energy: -103.651
flat angles P-C4'-P energy: -62.892
tors. eta vs tors. theta energy: -124.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -942.065197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.065197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.065197 (E_RNA)
where:
Base-Base interactions energy: -502.537
where: short stacking energy: -335.256
Base-Backbone interact. energy: 0.617
local terms energy: -440.145270
where:
bonds (distance) C4'-P energy: -90.072
bonds (distance) P-C4' energy: -88.145
flat angles C4'-P-C4' energy: -90.641
flat angles P-C4'-P energy: -73.222
tors. eta vs tors. theta energy: -98.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -825.001404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.001404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.001404 (E_RNA)
where:
Base-Base interactions energy: -451.508
where: short stacking energy: -294.388
Base-Backbone interact. energy: -1.228
local terms energy: -372.265583
where:
bonds (distance) C4'-P energy: -82.889
bonds (distance) P-C4' energy: -88.656
flat angles C4'-P-C4' energy: -92.452
flat angles P-C4'-P energy: -35.999
tors. eta vs tors. theta energy: -72.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -735.404382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.404382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.404382 (E_RNA)
where:
Base-Base interactions energy: -376.139
where: short stacking energy: -233.837
Base-Backbone interact. energy: -0.343
local terms energy: -358.922291
where:
bonds (distance) C4'-P energy: -71.857
bonds (distance) P-C4' energy: -88.104
flat angles C4'-P-C4' energy: -81.421
flat angles P-C4'-P energy: -64.007
tors. eta vs tors. theta energy: -53.534
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: 2
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -580.637083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.637083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.637083 (E_RNA)
where:
Base-Base interactions energy: -272.990
where: short stacking energy: -207.849
Base-Backbone interact. energy: -1.095
local terms energy: -306.551707
where:
bonds (distance) C4'-P energy: -84.606
bonds (distance) P-C4' energy: -88.606
flat angles C4'-P-C4' energy: -61.621
flat angles P-C4'-P energy: -46.383
tors. eta vs tors. theta energy: -25.336
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: 1
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -478.930151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.930151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.930151 (E_RNA)
where:
Base-Base interactions energy: -190.468
where: short stacking energy: -161.946
Base-Backbone interact. energy: -2.481
local terms energy: -285.981284
where:
bonds (distance) C4'-P energy: -73.520
bonds (distance) P-C4' energy: -86.992
flat angles C4'-P-C4' energy: -71.949
flat angles P-C4'-P energy: -46.169
tors. eta vs tors. theta energy: -7.351
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: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -429.434834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.434834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.434834 (E_RNA)
where:
Base-Base interactions energy: -156.853
where: short stacking energy: -112.482
Base-Backbone interact. energy: -3.422
local terms energy: -269.159408
where:
bonds (distance) C4'-P energy: -75.532
bonds (distance) P-C4' energy: -91.480
flat angles C4'-P-C4' energy: -58.326
flat angles P-C4'-P energy: -47.540
tors. eta vs tors. theta energy: 3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -385.471727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.471727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.471727 (E_RNA)
where:
Base-Base interactions energy: -116.622
where: short stacking energy: -109.697
Base-Backbone interact. energy: -2.069
local terms energy: -266.780754
where:
bonds (distance) C4'-P energy: -64.325
bonds (distance) P-C4' energy: -94.914
flat angles C4'-P-C4' energy: -73.278
flat angles P-C4'-P energy: -38.588
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: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -339.483544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.483544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.483544 (E_RNA)
where:
Base-Base interactions energy: -110.395
where: short stacking energy: -103.006
Base-Backbone interact. energy: -1.786
local terms energy: -227.303089
where:
bonds (distance) C4'-P energy: -79.415
bonds (distance) P-C4' energy: -69.768
flat angles C4'-P-C4' energy: -48.950
flat angles P-C4'-P energy: -43.836
tors. eta vs tors. theta energy: 14.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1304.068796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.068796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.068796 (E_RNA)
where:
Base-Base interactions energy: -788.886
where: short stacking energy: -447.348
Base-Backbone interact. energy: -2.053
local terms energy: -513.129927
where:
bonds (distance) C4'-P energy: -89.203
bonds (distance) P-C4' energy: -107.985
flat angles C4'-P-C4' energy: -111.150
flat angles P-C4'-P energy: -67.418
tors. eta vs tors. theta energy: -137.375
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: 8
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1195.271546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.271546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.271546 (E_RNA)
where:
Base-Base interactions energy: -714.220
where: short stacking energy: -427.305
Base-Backbone interact. energy: -0.039
local terms energy: -481.012570
where:
bonds (distance) C4'-P energy: -89.712
bonds (distance) P-C4' energy: -87.680
flat angles C4'-P-C4' energy: -108.370
flat angles P-C4'-P energy: -59.571
tors. eta vs tors. theta energy: -135.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -944.273307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.273307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.273307 (E_RNA)
where:
Base-Base interactions energy: -526.937
where: short stacking energy: -345.963
Base-Backbone interact. energy: -1.579
local terms energy: -415.757033
where:
bonds (distance) C4'-P energy: -79.724
bonds (distance) P-C4' energy: -91.213
flat angles C4'-P-C4' energy: -89.571
flat angles P-C4'-P energy: -58.859
tors. eta vs tors. theta energy: -96.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -817.054441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.054441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.054441 (E_RNA)
where:
Base-Base interactions energy: -448.089
where: short stacking energy: -268.532
Base-Backbone interact. energy: -0.405
local terms energy: -368.560836
where:
bonds (distance) C4'-P energy: -82.226
bonds (distance) P-C4' energy: -94.384
flat angles C4'-P-C4' energy: -84.064
flat angles P-C4'-P energy: -49.797
tors. eta vs tors. theta energy: -58.090
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: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -726.308042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.308042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.308042 (E_RNA)
where:
Base-Base interactions energy: -385.235
where: short stacking energy: -235.500
Base-Backbone interact. energy: -1.513
local terms energy: -339.560196
where:
bonds (distance) C4'-P energy: -71.243
bonds (distance) P-C4' energy: -91.495
flat angles C4'-P-C4' energy: -78.429
flat angles P-C4'-P energy: -51.651
tors. eta vs tors. theta energy: -46.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -579.903545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.903545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.903545 (E_RNA)
where:
Base-Base interactions energy: -269.320
where: short stacking energy: -190.812
Base-Backbone interact. energy: 0.497
local terms energy: -311.080385
where:
bonds (distance) C4'-P energy: -83.487
bonds (distance) P-C4' energy: -83.904
flat angles C4'-P-C4' energy: -73.688
flat angles P-C4'-P energy: -60.425
tors. eta vs tors. theta energy: -9.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -446.965041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.965041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.965041 (E_RNA)
where:
Base-Base interactions energy: -153.592
where: short stacking energy: -130.877
Base-Backbone interact. energy: -0.925
local terms energy: -292.447330
where:
bonds (distance) C4'-P energy: -89.844
bonds (distance) P-C4' energy: -66.084
flat angles C4'-P-C4' energy: -76.552
flat angles P-C4'-P energy: -52.339
tors. eta vs tors. theta energy: -7.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -422.198060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.198060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.198060 (E_RNA)
where:
Base-Base interactions energy: -134.746
where: short stacking energy: -113.366
Base-Backbone interact. energy: 1.012
local terms energy: -288.463506
where:
bonds (distance) C4'-P energy: -78.044
bonds (distance) P-C4' energy: -95.160
flat angles C4'-P-C4' energy: -68.722
flat angles P-C4'-P energy: -51.329
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: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -374.142368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.142368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.142368 (E_RNA)
where:
Base-Base interactions energy: -143.276
where: short stacking energy: -129.836
Base-Backbone interact. energy: 1.083
local terms energy: -231.949300
where:
bonds (distance) C4'-P energy: -52.318
bonds (distance) P-C4' energy: -76.964
flat angles C4'-P-C4' energy: -73.468
flat angles P-C4'-P energy: -42.026
tors. eta vs tors. theta energy: 12.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -374.047374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.047374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.047374 (E_RNA)
where:
Base-Base interactions energy: -130.182
where: short stacking energy: -110.795
Base-Backbone interact. energy: 1.877
local terms energy: -245.741771
where:
bonds (distance) C4'-P energy: -68.303
bonds (distance) P-C4' energy: -77.666
flat angles C4'-P-C4' energy: -77.361
flat angles P-C4'-P energy: -30.085
tors. eta vs tors. theta energy: 7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1259.834765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.834765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.834765 (E_RNA)
where:
Base-Base interactions energy: -768.162
where: short stacking energy: -444.988
Base-Backbone interact. energy: -1.060
local terms energy: -490.612589
where:
bonds (distance) C4'-P energy: -87.988
bonds (distance) P-C4' energy: -86.909
flat angles C4'-P-C4' energy: -102.258
flat angles P-C4'-P energy: -69.251
tors. eta vs tors. theta energy: -144.207
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: 2, replica: 8
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1153.016776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.016776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.016776 (E_RNA)
where:
Base-Base interactions energy: -699.197
where: short stacking energy: -404.287
Base-Backbone interact. energy: 0.426
local terms energy: -454.245831
where:
bonds (distance) C4'-P energy: -81.669
bonds (distance) P-C4' energy: -97.238
flat angles C4'-P-C4' energy: -91.497
flat angles P-C4'-P energy: -62.027
tors. eta vs tors. theta energy: -121.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -908.432416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.432416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.432416 (E_RNA)
where:
Base-Base interactions energy: -504.147
where: short stacking energy: -322.073
Base-Backbone interact. energy: -0.921
local terms energy: -403.363819
where:
bonds (distance) C4'-P energy: -89.273
bonds (distance) P-C4' energy: -89.049
flat angles C4'-P-C4' energy: -84.303
flat angles P-C4'-P energy: -49.790
tors. eta vs tors. theta energy: -90.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -806.878089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.878089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.878089 (E_RNA)
where:
Base-Base interactions energy: -439.986
where: short stacking energy: -265.686
Base-Backbone interact. energy: -1.612
local terms energy: -365.279584
where:
bonds (distance) C4'-P energy: -80.983
bonds (distance) P-C4' energy: -97.824
flat angles C4'-P-C4' energy: -93.403
flat angles P-C4'-P energy: -43.719
tors. eta vs tors. theta energy: -49.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -743.403231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.403231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.403231 (E_RNA)
where:
Base-Base interactions energy: -380.921
where: short stacking energy: -234.669
Base-Backbone interact. energy: -1.126
local terms energy: -361.356759
where:
bonds (distance) C4'-P energy: -99.816
bonds (distance) P-C4' energy: -91.106
flat angles C4'-P-C4' energy: -84.388
flat angles P-C4'-P energy: -51.468
tors. eta vs tors. theta energy: -34.578
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: 6, replica: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -569.280656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.280656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.280656 (E_RNA)
where:
Base-Base interactions energy: -262.143
where: short stacking energy: -175.696
Base-Backbone interact. energy: 0.252
local terms energy: -307.390220
where:
bonds (distance) C4'-P energy: -84.552
bonds (distance) P-C4' energy: -81.530
flat angles C4'-P-C4' energy: -74.796
flat angles P-C4'-P energy: -38.946
tors. eta vs tors. theta energy: -27.567
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: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -458.738250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.738250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.738250 (E_RNA)
where:
Base-Base interactions energy: -150.983
where: short stacking energy: -140.954
Base-Backbone interact. energy: -1.517
local terms energy: -306.237942
where:
bonds (distance) C4'-P energy: -85.537
bonds (distance) P-C4' energy: -100.519
flat angles C4'-P-C4' energy: -68.007
flat angles P-C4'-P energy: -47.862
tors. eta vs tors. theta energy: -4.313
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: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -416.027834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.027834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.027834 (E_RNA)
where:
Base-Base interactions energy: -146.147
where: short stacking energy: -118.601
Base-Backbone interact. energy: -0.043
local terms energy: -269.837652
where:
bonds (distance) C4'-P energy: -67.906
bonds (distance) P-C4' energy: -85.099
flat angles C4'-P-C4' energy: -81.837
flat angles P-C4'-P energy: -33.220
tors. eta vs tors. theta energy: -1.776
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: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -399.830885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.830885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.830885 (E_RNA)
where:
Base-Base interactions energy: -116.205
where: short stacking energy: -108.874
Base-Backbone interact. energy: -1.860
local terms energy: -281.765789
where:
bonds (distance) C4'-P energy: -68.521
bonds (distance) P-C4' energy: -90.609
flat angles C4'-P-C4' energy: -76.694
flat angles P-C4'-P energy: -48.389
tors. eta vs tors. theta energy: 2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -339.716292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.716292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.716292 (E_RNA)
where:
Base-Base interactions energy: -119.553
where: short stacking energy: -115.231
Base-Backbone interact. energy: -0.636
local terms energy: -219.527682
where:
bonds (distance) C4'-P energy: -68.284
bonds (distance) P-C4' energy: -74.265
flat angles C4'-P-C4' energy: -61.282
flat angles P-C4'-P energy: -36.743
tors. eta vs tors. theta energy: 21.047
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1236.211074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.211074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.211074 (E_RNA)
where:
Base-Base interactions energy: -749.979
where: short stacking energy: -439.393
Base-Backbone interact. energy: 0.125
local terms energy: -486.356391
where:
bonds (distance) C4'-P energy: -90.659
bonds (distance) P-C4' energy: -90.779
flat angles C4'-P-C4' energy: -101.312
flat angles P-C4'-P energy: -73.118
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: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1161.765055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.765055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.765055 (E_RNA)
where:
Base-Base interactions energy: -681.781
where: short stacking energy: -384.228
Base-Backbone interact. energy: -1.065
local terms energy: -478.919303
where:
bonds (distance) C4'-P energy: -96.616
bonds (distance) P-C4' energy: -93.835
flat angles C4'-P-C4' energy: -109.258
flat angles P-C4'-P energy: -58.841
tors. eta vs tors. theta energy: -120.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -966.424957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.424957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.424957 (E_RNA)
where:
Base-Base interactions energy: -540.429
where: short stacking energy: -335.174
Base-Backbone interact. energy: 2.152
local terms energy: -428.147648
where:
bonds (distance) C4'-P energy: -78.541
bonds (distance) P-C4' energy: -88.521
flat angles C4'-P-C4' energy: -99.920
flat angles P-C4'-P energy: -65.850
tors. eta vs tors. theta energy: -95.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -819.058811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.058811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.058811 (E_RNA)
where:
Base-Base interactions energy: -443.242
where: short stacking energy: -269.557
Base-Backbone interact. energy: -0.912
local terms energy: -374.905522
where:
bonds (distance) C4'-P energy: -83.219
bonds (distance) P-C4' energy: -77.818
flat angles C4'-P-C4' energy: -94.259
flat angles P-C4'-P energy: -53.385
tors. eta vs tors. theta energy: -66.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -748.893398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.893398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.893398 (E_RNA)
where:
Base-Base interactions energy: -384.967
where: short stacking energy: -251.828
Base-Backbone interact. energy: -2.956
local terms energy: -360.969637
where:
bonds (distance) C4'-P energy: -87.008
bonds (distance) P-C4' energy: -85.198
flat angles C4'-P-C4' energy: -81.371
flat angles P-C4'-P energy: -50.585
tors. eta vs tors. theta energy: -56.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -549.188891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.188891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.188891 (E_RNA)
where:
Base-Base interactions energy: -268.785
where: short stacking energy: -194.099
Base-Backbone interact. energy: -1.414
local terms energy: -278.990317
where:
bonds (distance) C4'-P energy: -70.864
bonds (distance) P-C4' energy: -65.163
flat angles C4'-P-C4' energy: -80.824
flat angles P-C4'-P energy: -37.789
tors. eta vs tors. theta energy: -24.351
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: 7, replica: 1
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -450.808306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.808306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.808306 (E_RNA)
where:
Base-Base interactions energy: -163.398
where: short stacking energy: -160.484
Base-Backbone interact. energy: -1.125
local terms energy: -286.285057
where:
bonds (distance) C4'-P energy: -70.364
bonds (distance) P-C4' energy: -90.184
flat angles C4'-P-C4' energy: -73.898
flat angles P-C4'-P energy: -44.914
tors. eta vs tors. theta energy: -6.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -421.257829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.257829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.257829 (E_RNA)
where:
Base-Base interactions energy: -153.815
where: short stacking energy: -129.753
Base-Backbone interact. energy: -0.185
local terms energy: -267.257858
where:
bonds (distance) C4'-P energy: -87.039
bonds (distance) P-C4' energy: -83.512
flat angles C4'-P-C4' energy: -63.032
flat angles P-C4'-P energy: -34.382
tors. eta vs tors. theta energy: 0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -371.601080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.601080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.601080 (E_RNA)
where:
Base-Base interactions energy: -129.974
where: short stacking energy: -119.608
Base-Backbone interact. energy: 4.535
local terms energy: -246.162120
where:
bonds (distance) C4'-P energy: -77.029
bonds (distance) P-C4' energy: -78.588
flat angles C4'-P-C4' energy: -58.761
flat angles P-C4'-P energy: -34.739
tors. eta vs tors. theta energy: 2.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -338.754067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.754067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.754067 (E_RNA)
where:
Base-Base interactions energy: -114.503
where: short stacking energy: -98.839
Base-Backbone interact. energy: 0.913
local terms energy: -225.164571
where:
bonds (distance) C4'-P energy: -56.878
bonds (distance) P-C4' energy: -86.466
flat angles C4'-P-C4' energy: -53.868
flat angles P-C4'-P energy: -33.670
tors. eta vs tors. theta energy: 5.716
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1212.255074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.255074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.255074 (E_RNA)
where:
Base-Base interactions energy: -736.861
where: short stacking energy: -436.350
Base-Backbone interact. energy: -1.409
local terms energy: -473.984608
where:
bonds (distance) C4'-P energy: -82.427
bonds (distance) P-C4' energy: -96.685
flat angles C4'-P-C4' energy: -92.774
flat angles P-C4'-P energy: -71.355
tors. eta vs tors. theta energy: -130.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1154.255175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.255175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.255175 (E_RNA)
where:
Base-Base interactions energy: -694.435
where: short stacking energy: -404.108
Base-Backbone interact. energy: 3.826
local terms energy: -463.646785
where:
bonds (distance) C4'-P energy: -87.783
bonds (distance) P-C4' energy: -82.508
flat angles C4'-P-C4' energy: -99.441
flat angles P-C4'-P energy: -75.976
tors. eta vs tors. theta energy: -117.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -857.219464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.219464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.219464 (E_RNA)
where:
Base-Base interactions energy: -452.141
where: short stacking energy: -272.565
Base-Backbone interact. energy: -0.829
local terms energy: -404.250004
where:
bonds (distance) C4'-P energy: -89.331
bonds (distance) P-C4' energy: -93.542
flat angles C4'-P-C4' energy: -88.003
flat angles P-C4'-P energy: -63.192
tors. eta vs tors. theta energy: -70.181
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: 5
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -880.702344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.702344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.702344 (E_RNA)
where:
Base-Base interactions energy: -466.795
where: short stacking energy: -288.807
Base-Backbone interact. energy: -0.125
local terms energy: -413.782501
where:
bonds (distance) C4'-P energy: -90.733
bonds (distance) P-C4' energy: -97.020
flat angles C4'-P-C4' energy: -88.607
flat angles P-C4'-P energy: -62.188
tors. eta vs tors. theta energy: -75.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -706.095962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.095962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.095962 (E_RNA)
where:
Base-Base interactions energy: -347.762
where: short stacking energy: -234.546
Base-Backbone interact. energy: -1.037
local terms energy: -357.296405
where:
bonds (distance) C4'-P energy: -77.607
bonds (distance) P-C4' energy: -89.876
flat angles C4'-P-C4' energy: -88.619
flat angles P-C4'-P energy: -49.902
tors. eta vs tors. theta energy: -51.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -596.748155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.748155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.748155 (E_RNA)
where:
Base-Base interactions energy: -265.137
where: short stacking energy: -193.576
Base-Backbone interact. energy: -1.716
local terms energy: -329.895128
where:
bonds (distance) C4'-P energy: -83.633
bonds (distance) P-C4' energy: -89.005
flat angles C4'-P-C4' energy: -74.627
flat angles P-C4'-P energy: -52.031
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: 7, replica: 1
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -457.264768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.264768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.264768 (E_RNA)
where:
Base-Base interactions energy: -187.744
where: short stacking energy: -175.862
Base-Backbone interact. energy: 6.301
local terms energy: -275.821764
where:
bonds (distance) C4'-P energy: -48.580
bonds (distance) P-C4' energy: -93.577
flat angles C4'-P-C4' energy: -70.539
flat angles P-C4'-P energy: -43.340
tors. eta vs tors. theta energy: -19.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -410.650037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.650037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.650037 (E_RNA)
where:
Base-Base interactions energy: -145.938
where: short stacking energy: -123.943
Base-Backbone interact. energy: -0.113
local terms energy: -264.599061
where:
bonds (distance) C4'-P energy: -72.187
bonds (distance) P-C4' energy: -75.032
flat angles C4'-P-C4' energy: -69.455
flat angles P-C4'-P energy: -40.655
tors. eta vs tors. theta energy: -7.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -382.516288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.516288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.516288 (E_RNA)
where:
Base-Base interactions energy: -117.332
where: short stacking energy: -101.499
Base-Backbone interact. energy: -0.677
local terms energy: -264.507760
where:
bonds (distance) C4'-P energy: -65.693
bonds (distance) P-C4' energy: -82.515
flat angles C4'-P-C4' energy: -67.355
flat angles P-C4'-P energy: -51.460
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: 10, replica: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -356.712918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.712918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.712918 (E_RNA)
where:
Base-Base interactions energy: -111.227
where: short stacking energy: -104.381
Base-Backbone interact. energy: -1.236
local terms energy: -244.249812
where:
bonds (distance) C4'-P energy: -77.495
bonds (distance) P-C4' energy: -74.350
flat angles C4'-P-C4' energy: -66.460
flat angles P-C4'-P energy: -53.582
tors. eta vs tors. theta energy: 27.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1210.412190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.412190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.412190 (E_RNA)
where:
Base-Base interactions energy: -730.037
where: short stacking energy: -422.033
Base-Backbone interact. energy: -2.946
local terms energy: -477.428964
where:
bonds (distance) C4'-P energy: -79.547
bonds (distance) P-C4' energy: -94.143
flat angles C4'-P-C4' energy: -103.786
flat angles P-C4'-P energy: -67.450
tors. eta vs tors. theta energy: -132.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1146.908982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.908982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.908982 (E_RNA)
where:
Base-Base interactions energy: -678.239
where: short stacking energy: -384.556
Base-Backbone interact. energy: -1.731
local terms energy: -466.939204
where:
bonds (distance) C4'-P energy: -96.608
bonds (distance) P-C4' energy: -96.234
flat angles C4'-P-C4' energy: -98.997
flat angles P-C4'-P energy: -60.346
tors. eta vs tors. theta energy: -114.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -854.693902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.693902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.693902 (E_RNA)
where:
Base-Base interactions energy: -458.067
where: short stacking energy: -287.473
Base-Backbone interact. energy: -0.888
local terms energy: -395.737958
where:
bonds (distance) C4'-P energy: -89.498
bonds (distance) P-C4' energy: -96.495
flat angles C4'-P-C4' energy: -88.774
flat angles P-C4'-P energy: -59.528
tors. eta vs tors. theta energy: -61.443
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: 4, replica: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -839.042069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.042069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.042069 (E_RNA)
where:
Base-Base interactions energy: -433.684
where: short stacking energy: -283.765
Base-Backbone interact. energy: -0.619
local terms energy: -404.739358
where:
bonds (distance) C4'-P energy: -96.915
bonds (distance) P-C4' energy: -85.514
flat angles C4'-P-C4' energy: -95.059
flat angles P-C4'-P energy: -55.664
tors. eta vs tors. theta energy: -71.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -701.278317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.278317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.278317 (E_RNA)
where:
Base-Base interactions energy: -371.234
where: short stacking energy: -225.758
Base-Backbone interact. energy: 1.934
local terms energy: -331.979082
where:
bonds (distance) C4'-P energy: -76.560
bonds (distance) P-C4' energy: -93.801
flat angles C4'-P-C4' energy: -74.496
flat angles P-C4'-P energy: -53.453
tors. eta vs tors. theta energy: -33.669
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: 2
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -535.383646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.383646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.383646 (E_RNA)
where:
Base-Base interactions energy: -224.208
where: short stacking energy: -167.246
Base-Backbone interact. energy: 2.729
local terms energy: -313.905300
where:
bonds (distance) C4'-P energy: -72.368
bonds (distance) P-C4' energy: -87.243
flat angles C4'-P-C4' energy: -83.505
flat angles P-C4'-P energy: -48.063
tors. eta vs tors. theta energy: -22.727
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: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -464.295028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.295028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.295028 (E_RNA)
where:
Base-Base interactions energy: -176.907
where: short stacking energy: -139.518
Base-Backbone interact. energy: 0.137
local terms energy: -287.525475
where:
bonds (distance) C4'-P energy: -84.670
bonds (distance) P-C4' energy: -73.318
flat angles C4'-P-C4' energy: -68.982
flat angles P-C4'-P energy: -37.552
tors. eta vs tors. theta energy: -23.004
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: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -427.069325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.069325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.069325 (E_RNA)
where:
Base-Base interactions energy: -160.019
where: short stacking energy: -152.735
Base-Backbone interact. energy: 2.488
local terms energy: -269.538425
where:
bonds (distance) C4'-P energy: -87.173
bonds (distance) P-C4' energy: -75.433
flat angles C4'-P-C4' energy: -70.667
flat angles P-C4'-P energy: -33.665
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: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -371.786732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.786732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.786732 (E_RNA)
where:
Base-Base interactions energy: -141.833
where: short stacking energy: -114.619
Base-Backbone interact. energy: 0.308
local terms energy: -230.262102
where:
bonds (distance) C4'-P energy: -79.302
bonds (distance) P-C4' energy: -62.532
flat angles C4'-P-C4' energy: -78.955
flat angles P-C4'-P energy: -24.820
tors. eta vs tors. theta energy: 15.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -351.870490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.870490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.870490 (E_RNA)
where:
Base-Base interactions energy: -121.396
where: short stacking energy: -97.717
Base-Backbone interact. energy: -0.287
local terms energy: -230.187943
where:
bonds (distance) C4'-P energy: -63.329
bonds (distance) P-C4' energy: -71.685
flat angles C4'-P-C4' energy: -67.550
flat angles P-C4'-P energy: -38.376
tors. eta vs tors. theta energy: 10.752
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1234.317929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.317929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.317929 (E_RNA)
where:
Base-Base interactions energy: -743.675
where: short stacking energy: -414.316
Base-Backbone interact. energy: -2.585
local terms energy: -488.058025
where:
bonds (distance) C4'-P energy: -88.067
bonds (distance) P-C4' energy: -96.829
flat angles C4'-P-C4' energy: -108.352
flat angles P-C4'-P energy: -67.619
tors. eta vs tors. theta energy: -127.190
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: 8
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1175.777608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.777608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.777608 (E_RNA)
where:
Base-Base interactions energy: -694.759
where: short stacking energy: -423.217
Base-Backbone interact. energy: -0.212
local terms energy: -480.806808
where:
bonds (distance) C4'-P energy: -90.689
bonds (distance) P-C4' energy: -92.628
flat angles C4'-P-C4' energy: -106.612
flat angles P-C4'-P energy: -67.275
tors. eta vs tors. theta energy: -123.603
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: 3, replica: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -900.564922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.564922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.564922 (E_RNA)
where:
Base-Base interactions energy: -492.972
where: short stacking energy: -304.353
Base-Backbone interact. energy: -0.905
local terms energy: -406.687803
where:
bonds (distance) C4'-P energy: -89.903
bonds (distance) P-C4' energy: -83.767
flat angles C4'-P-C4' energy: -92.795
flat angles P-C4'-P energy: -63.660
tors. eta vs tors. theta energy: -76.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -844.416582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.416582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.416582 (E_RNA)
where:
Base-Base interactions energy: -457.624
where: short stacking energy: -288.779
Base-Backbone interact. energy: 0.518
local terms energy: -387.310481
where:
bonds (distance) C4'-P energy: -90.248
bonds (distance) P-C4' energy: -87.094
flat angles C4'-P-C4' energy: -78.377
flat angles P-C4'-P energy: -55.849
tors. eta vs tors. theta energy: -75.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -718.573726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.573726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.573726 (E_RNA)
where:
Base-Base interactions energy: -397.912
where: short stacking energy: -260.618
Base-Backbone interact. energy: 0.713
local terms energy: -321.374416
where:
bonds (distance) C4'-P energy: -75.222
bonds (distance) P-C4' energy: -74.797
flat angles C4'-P-C4' energy: -84.144
flat angles P-C4'-P energy: -42.352
tors. eta vs tors. theta energy: -44.858
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: 2
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -593.286493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.286493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.286493 (E_RNA)
where:
Base-Base interactions energy: -270.218
where: short stacking energy: -185.774
Base-Backbone interact. energy: 1.056
local terms energy: -324.124568
where:
bonds (distance) C4'-P energy: -80.957
bonds (distance) P-C4' energy: -78.542
flat angles C4'-P-C4' energy: -89.280
flat angles P-C4'-P energy: -35.787
tors. eta vs tors. theta energy: -39.559
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: 382
Temperature: 1.200000
Total energy: -474.195174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.195174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.195174 (E_RNA)
where:
Base-Base interactions energy: -165.783
where: short stacking energy: -137.114
Base-Backbone interact. energy: 1.100
local terms energy: -309.511932
where:
bonds (distance) C4'-P energy: -80.902
bonds (distance) P-C4' energy: -75.910
flat angles C4'-P-C4' energy: -96.606
flat angles P-C4'-P energy: -38.640
tors. eta vs tors. theta energy: -17.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -413.317432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.317432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.317432 (E_RNA)
where:
Base-Base interactions energy: -137.792
where: short stacking energy: -121.037
Base-Backbone interact. energy: -1.917
local terms energy: -273.608818
where:
bonds (distance) C4'-P energy: -83.533
bonds (distance) P-C4' energy: -84.111
flat angles C4'-P-C4' energy: -66.171
flat angles P-C4'-P energy: -39.787
tors. eta vs tors. theta energy: -0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -386.586495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.586495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.586495 (E_RNA)
where:
Base-Base interactions energy: -129.092
where: short stacking energy: -91.838
Base-Backbone interact. energy: -0.069
local terms energy: -257.424598
where:
bonds (distance) C4'-P energy: -68.370
bonds (distance) P-C4' energy: -84.495
flat angles C4'-P-C4' energy: -68.247
flat angles P-C4'-P energy: -43.836
tors. eta vs tors. theta energy: 7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -357.393419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.393419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.393419 (E_RNA)
where:
Base-Base interactions energy: -132.142
where: short stacking energy: -122.245
Base-Backbone interact. energy: 0.187
local terms energy: -225.439148
where:
bonds (distance) C4'-P energy: -73.773
bonds (distance) P-C4' energy: -83.816
flat angles C4'-P-C4' energy: -48.454
flat angles P-C4'-P energy: -26.803
tors. eta vs tors. theta energy: 7.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1198.320428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.320428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.320428 (E_RNA)
where:
Base-Base interactions energy: -710.559
where: short stacking energy: -397.501
Base-Backbone interact. energy: -2.992
local terms energy: -484.768633
where:
bonds (distance) C4'-P energy: -90.924
bonds (distance) P-C4' energy: -98.928
flat angles C4'-P-C4' energy: -101.653
flat angles P-C4'-P energy: -70.477
tors. eta vs tors. theta energy: -122.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1177.023579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.023579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.023579 (E_RNA)
where:
Base-Base interactions energy: -693.386
where: short stacking energy: -430.458
Base-Backbone interact. energy: -1.791
local terms energy: -481.846426
where:
bonds (distance) C4'-P energy: -80.881
bonds (distance) P-C4' energy: -85.366
flat angles C4'-P-C4' energy: -115.168
flat angles P-C4'-P energy: -70.086
tors. eta vs tors. theta energy: -130.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -903.474890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.474890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.474890 (E_RNA)
where:
Base-Base interactions energy: -496.438
where: short stacking energy: -311.601
Base-Backbone interact. energy: 0.871
local terms energy: -407.908209
where:
bonds (distance) C4'-P energy: -84.897
bonds (distance) P-C4' energy: -97.751
flat angles C4'-P-C4' energy: -92.841
flat angles P-C4'-P energy: -56.847
tors. eta vs tors. theta energy: -75.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -829.792625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.792625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.792625 (E_RNA)
where:
Base-Base interactions energy: -453.656
where: short stacking energy: -283.366
Base-Backbone interact. energy: 2.872
local terms energy: -379.009276
where:
bonds (distance) C4'-P energy: -87.086
bonds (distance) P-C4' energy: -91.495
flat angles C4'-P-C4' energy: -88.666
flat angles P-C4'-P energy: -50.374
tors. eta vs tors. theta energy: -61.388
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: 383
Temperature: 1.100000
Total energy: -692.145813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.145813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.145813 (E_RNA)
where:
Base-Base interactions energy: -342.681
where: short stacking energy: -219.226
Base-Backbone interact. energy: -0.802
local terms energy: -348.662858
where:
bonds (distance) C4'-P energy: -76.018
bonds (distance) P-C4' energy: -87.688
flat angles C4'-P-C4' energy: -89.074
flat angles P-C4'-P energy: -59.554
tors. eta vs tors. theta energy: -36.329
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: 2
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -525.033693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.033693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.033693 (E_RNA)
where:
Base-Base interactions energy: -226.385
where: short stacking energy: -150.843
Base-Backbone interact. energy: 1.305
local terms energy: -299.954381
where:
bonds (distance) C4'-P energy: -83.142
bonds (distance) P-C4' energy: -92.101
flat angles C4'-P-C4' energy: -70.738
flat angles P-C4'-P energy: -48.431
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -461.322209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.322209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.322209 (E_RNA)
where:
Base-Base interactions energy: -184.863
where: short stacking energy: -158.466
Base-Backbone interact. energy: -0.485
local terms energy: -275.974128
where:
bonds (distance) C4'-P energy: -76.275
bonds (distance) P-C4' energy: -81.461
flat angles C4'-P-C4' energy: -80.497
flat angles P-C4'-P energy: -38.083
tors. eta vs tors. theta energy: 0.342
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: 7
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -430.979569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.979569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.979569 (E_RNA)
where:
Base-Base interactions energy: -149.103
where: short stacking energy: -144.104
Base-Backbone interact. energy: 1.114
local terms energy: -282.990932
where:
bonds (distance) C4'-P energy: -87.383
bonds (distance) P-C4' energy: -69.664
flat angles C4'-P-C4' energy: -66.304
flat angles P-C4'-P energy: -47.738
tors. eta vs tors. theta energy: -11.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -382.664332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.664332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.664332 (E_RNA)
where:
Base-Base interactions energy: -120.927
where: short stacking energy: -109.182
Base-Backbone interact. energy: -0.957
local terms energy: -260.781076
where:
bonds (distance) C4'-P energy: -78.058
bonds (distance) P-C4' energy: -77.906
flat angles C4'-P-C4' energy: -73.955
flat angles P-C4'-P energy: -43.592
tors. eta vs tors. theta energy: 12.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -367.818609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.818609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.818609 (E_RNA)
where:
Base-Base interactions energy: -121.124
where: short stacking energy: -103.819
Base-Backbone interact. energy: 0.550
local terms energy: -247.244815
where:
bonds (distance) C4'-P energy: -74.931
bonds (distance) P-C4' energy: -74.655
flat angles C4'-P-C4' energy: -63.907
flat angles P-C4'-P energy: -31.422
tors. eta vs tors. theta energy: -2.330
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1180.146191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.146191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.146191 (E_RNA)
where:
Base-Base interactions energy: -705.373
where: short stacking energy: -402.582
Base-Backbone interact. energy: -1.352
local terms energy: -473.421729
where:
bonds (distance) C4'-P energy: -92.063
bonds (distance) P-C4' energy: -88.700
flat angles C4'-P-C4' energy: -101.378
flat angles P-C4'-P energy: -74.869
tors. eta vs tors. theta energy: -116.412
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: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1142.777749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.777749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.777749 (E_RNA)
where:
Base-Base interactions energy: -655.933
where: short stacking energy: -399.626
Base-Backbone interact. energy: -1.553
local terms energy: -485.292464
where:
bonds (distance) C4'-P energy: -91.499
bonds (distance) P-C4' energy: -96.817
flat angles C4'-P-C4' energy: -104.016
flat angles P-C4'-P energy: -64.386
tors. eta vs tors. theta energy: -128.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -945.656119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.656119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.656119 (E_RNA)
where:
Base-Base interactions energy: -513.936
where: short stacking energy: -316.842
Base-Backbone interact. energy: -1.522
local terms energy: -430.198906
where:
bonds (distance) C4'-P energy: -87.230
bonds (distance) P-C4' energy: -104.896
flat angles C4'-P-C4' energy: -96.255
flat angles P-C4'-P energy: -61.720
tors. eta vs tors. theta energy: -80.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -817.058458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.058458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.058458 (E_RNA)
where:
Base-Base interactions energy: -439.557
where: short stacking energy: -272.797
Base-Backbone interact. energy: 0.033
local terms energy: -377.534171
where:
bonds (distance) C4'-P energy: -90.072
bonds (distance) P-C4' energy: -85.362
flat angles C4'-P-C4' energy: -89.050
flat angles P-C4'-P energy: -49.787
tors. eta vs tors. theta energy: -63.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -719.777330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.777330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.777330 (E_RNA)
where:
Base-Base interactions energy: -360.580
where: short stacking energy: -238.990
Base-Backbone interact. energy: -1.858
local terms energy: -357.339228
where:
bonds (distance) C4'-P energy: -85.872
bonds (distance) P-C4' energy: -83.686
flat angles C4'-P-C4' energy: -87.363
flat angles P-C4'-P energy: -60.280
tors. eta vs tors. theta energy: -40.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -570.284235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.284235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.284235 (E_RNA)
where:
Base-Base interactions energy: -243.215
where: short stacking energy: -177.667
Base-Backbone interact. energy: 0.262
local terms energy: -327.332177
where:
bonds (distance) C4'-P energy: -82.331
bonds (distance) P-C4' energy: -89.709
flat angles C4'-P-C4' energy: -77.062
flat angles P-C4'-P energy: -47.857
tors. eta vs tors. theta energy: -30.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -463.036953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.036953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.036953 (E_RNA)
where:
Base-Base interactions energy: -164.956
where: short stacking energy: -151.001
Base-Backbone interact. energy: -0.979
local terms energy: -297.102166
where:
bonds (distance) C4'-P energy: -77.851
bonds (distance) P-C4' energy: -87.912
flat angles C4'-P-C4' energy: -72.683
flat angles P-C4'-P energy: -34.954
tors. eta vs tors. theta energy: -23.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -395.059876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.059876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.059876 (E_RNA)
where:
Base-Base interactions energy: -150.635
where: short stacking energy: -134.730
Base-Backbone interact. energy: 4.034
local terms energy: -248.459193
where:
bonds (distance) C4'-P energy: -69.846
bonds (distance) P-C4' energy: -60.291
flat angles C4'-P-C4' energy: -66.195
flat angles P-C4'-P energy: -54.685
tors. eta vs tors. theta energy: 2.557
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: 9, replica: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -386.564485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.564485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.564485 (E_RNA)
where:
Base-Base interactions energy: -129.807
where: short stacking energy: -105.327
Base-Backbone interact. energy: 0.596
local terms energy: -257.354276
where:
bonds (distance) C4'-P energy: -69.500
bonds (distance) P-C4' energy: -91.895
flat angles C4'-P-C4' energy: -69.247
flat angles P-C4'-P energy: -35.575
tors. eta vs tors. theta energy: 8.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -351.151443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.151443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.151443 (E_RNA)
where:
Base-Base interactions energy: -100.148
where: short stacking energy: -77.106
Base-Backbone interact. energy: 0.875
local terms energy: -251.878273
where:
bonds (distance) C4'-P energy: -82.158
bonds (distance) P-C4' energy: -88.609
flat angles C4'-P-C4' energy: -75.160
flat angles P-C4'-P energy: -26.352
tors. eta vs tors. theta energy: 20.401
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1179.312165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.312165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.312165 (E_RNA)
where:
Base-Base interactions energy: -712.488
where: short stacking energy: -394.557
Base-Backbone interact. energy: -2.168
local terms energy: -464.656417
where:
bonds (distance) C4'-P energy: -91.834
bonds (distance) P-C4' energy: -81.277
flat angles C4'-P-C4' energy: -109.373
flat angles P-C4'-P energy: -66.385
tors. eta vs tors. theta energy: -115.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1154.787030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.787030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.787030 (E_RNA)
where:
Base-Base interactions energy: -700.304
where: short stacking energy: -406.537
Base-Backbone interact. energy: -0.380
local terms energy: -454.103260
where:
bonds (distance) C4'-P energy: -98.531
bonds (distance) P-C4' energy: -92.354
flat angles C4'-P-C4' energy: -93.888
flat angles P-C4'-P energy: -56.465
tors. eta vs tors. theta energy: -112.865
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: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -919.190273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.190273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.190273 (E_RNA)
where:
Base-Base interactions energy: -513.548
where: short stacking energy: -298.070
Base-Backbone interact. energy: 1.963
local terms energy: -407.605263
where:
bonds (distance) C4'-P energy: -93.370
bonds (distance) P-C4' energy: -100.321
flat angles C4'-P-C4' energy: -83.657
flat angles P-C4'-P energy: -61.065
tors. eta vs tors. theta energy: -69.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -757.533240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.533240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.533240 (E_RNA)
where:
Base-Base interactions energy: -387.387
where: short stacking energy: -245.985
Base-Backbone interact. energy: -0.038
local terms energy: -370.108225
where:
bonds (distance) C4'-P energy: -96.464
bonds (distance) P-C4' energy: -91.506
flat angles C4'-P-C4' energy: -86.591
flat angles P-C4'-P energy: -40.232
tors. eta vs tors. theta energy: -55.315
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: 3
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -773.912149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.912149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.912149 (E_RNA)
where:
Base-Base interactions energy: -373.328
where: short stacking energy: -254.330
Base-Backbone interact. energy: -1.489
local terms energy: -399.094214
where:
bonds (distance) C4'-P energy: -93.637
bonds (distance) P-C4' energy: -94.456
flat angles C4'-P-C4' energy: -86.330
flat angles P-C4'-P energy: -65.980
tors. eta vs tors. theta energy: -58.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -574.418398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.418398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.418398 (E_RNA)
where:
Base-Base interactions energy: -246.948
where: short stacking energy: -168.351
Base-Backbone interact. energy: -2.123
local terms energy: -325.347402
where:
bonds (distance) C4'-P energy: -81.339
bonds (distance) P-C4' energy: -87.975
flat angles C4'-P-C4' energy: -82.069
flat angles P-C4'-P energy: -57.500
tors. eta vs tors. theta energy: -16.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -477.855241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.855241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.855241 (E_RNA)
where:
Base-Base interactions energy: -183.470
where: short stacking energy: -168.187
Base-Backbone interact. energy: 2.089
local terms energy: -296.474542
where:
bonds (distance) C4'-P energy: -64.479
bonds (distance) P-C4' energy: -80.529
flat angles C4'-P-C4' energy: -81.538
flat angles P-C4'-P energy: -54.329
tors. eta vs tors. theta energy: -15.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -407.263894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.263894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.263894 (E_RNA)
where:
Base-Base interactions energy: -139.843
where: short stacking energy: -126.590
Base-Backbone interact. energy: 1.708
local terms energy: -269.129464
where:
bonds (distance) C4'-P energy: -77.487
bonds (distance) P-C4' energy: -81.128
flat angles C4'-P-C4' energy: -69.257
flat angles P-C4'-P energy: -30.295
tors. eta vs tors. theta energy: -10.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -383.670418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.670418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.670418 (E_RNA)
where:
Base-Base interactions energy: -105.555
where: short stacking energy: -95.156
Base-Backbone interact. energy: -0.227
local terms energy: -277.889094
where:
bonds (distance) C4'-P energy: -81.603
bonds (distance) P-C4' energy: -101.050
flat angles C4'-P-C4' energy: -61.908
flat angles P-C4'-P energy: -45.307
tors. eta vs tors. theta energy: 11.979
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: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -359.179749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.179749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.179749 (E_RNA)
where:
Base-Base interactions energy: -121.812
where: short stacking energy: -113.647
Base-Backbone interact. energy: -2.334
local terms energy: -235.033705
where:
bonds (distance) C4'-P energy: -75.533
bonds (distance) P-C4' energy: -68.857
flat angles C4'-P-C4' energy: -54.620
flat angles P-C4'-P energy: -45.508
tors. eta vs tors. theta energy: 9.484
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1231.006152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.006152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.006152 (E_RNA)
where:
Base-Base interactions energy: -767.356
where: short stacking energy: -417.325
Base-Backbone interact. energy: -1.066
local terms energy: -462.584202
where:
bonds (distance) C4'-P energy: -92.070
bonds (distance) P-C4' energy: -100.777
flat angles C4'-P-C4' energy: -86.418
flat angles P-C4'-P energy: -61.183
tors. eta vs tors. theta energy: -122.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1172.750615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.750615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.750615 (E_RNA)
where:
Base-Base interactions energy: -706.277
where: short stacking energy: -406.926
Base-Backbone interact. energy: -0.805
local terms energy: -465.669165
where:
bonds (distance) C4'-P energy: -69.809
bonds (distance) P-C4' energy: -96.728
flat angles C4'-P-C4' energy: -102.235
flat angles P-C4'-P energy: -68.074
tors. eta vs tors. theta energy: -128.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -905.368064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.368064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.368064 (E_RNA)
where:
Base-Base interactions energy: -500.008
where: short stacking energy: -308.820
Base-Backbone interact. energy: -1.731
local terms energy: -403.628888
where:
bonds (distance) C4'-P energy: -96.622
bonds (distance) P-C4' energy: -91.837
flat angles C4'-P-C4' energy: -85.580
flat angles P-C4'-P energy: -48.420
tors. eta vs tors. theta energy: -81.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -781.966884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.966884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.966884 (E_RNA)
where:
Base-Base interactions energy: -394.392
where: short stacking energy: -270.224
Base-Backbone interact. energy: -0.711
local terms energy: -386.863418
where:
bonds (distance) C4'-P energy: -78.254
bonds (distance) P-C4' energy: -96.943
flat angles C4'-P-C4' energy: -94.478
flat angles P-C4'-P energy: -53.536
tors. eta vs tors. theta energy: -63.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -753.574804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.574804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.574804 (E_RNA)
where:
Base-Base interactions energy: -382.526
where: short stacking energy: -257.025
Base-Backbone interact. energy: -0.902
local terms energy: -370.146517
where:
bonds (distance) C4'-P energy: -91.440
bonds (distance) P-C4' energy: -79.147
flat angles C4'-P-C4' energy: -90.746
flat angles P-C4'-P energy: -54.467
tors. eta vs tors. theta energy: -54.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -567.805282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.805282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.805282 (E_RNA)
where:
Base-Base interactions energy: -258.884
where: short stacking energy: -188.007
Base-Backbone interact. energy: 0.470
local terms energy: -309.391496
where:
bonds (distance) C4'-P energy: -77.368
bonds (distance) P-C4' energy: -77.278
flat angles C4'-P-C4' energy: -74.433
flat angles P-C4'-P energy: -56.178
tors. eta vs tors. theta energy: -24.135
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: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -457.588166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.588166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.588166 (E_RNA)
where:
Base-Base interactions energy: -171.243
where: short stacking energy: -155.181
Base-Backbone interact. energy: 3.446
local terms energy: -289.790616
where:
bonds (distance) C4'-P energy: -85.519
bonds (distance) P-C4' energy: -89.219
flat angles C4'-P-C4' energy: -71.576
flat angles P-C4'-P energy: -37.136
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -414.674311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.674311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.674311 (E_RNA)
where:
Base-Base interactions energy: -131.704
where: short stacking energy: -105.146
Base-Backbone interact. energy: -1.183
local terms energy: -281.786944
where:
bonds (distance) C4'-P energy: -91.920
bonds (distance) P-C4' energy: -78.146
flat angles C4'-P-C4' energy: -82.462
flat angles P-C4'-P energy: -37.300
tors. eta vs tors. theta energy: 8.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -367.405218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.405218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.405218 (E_RNA)
where:
Base-Base interactions energy: -119.646
where: short stacking energy: -107.271
Base-Backbone interact. energy: 0.015
local terms energy: -247.773829
where:
bonds (distance) C4'-P energy: -63.533
bonds (distance) P-C4' energy: -69.602
flat angles C4'-P-C4' energy: -84.741
flat angles P-C4'-P energy: -42.909
tors. eta vs tors. theta energy: 13.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -375.461015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.461015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.461015 (E_RNA)
where:
Base-Base interactions energy: -145.642
where: short stacking energy: -125.567
Base-Backbone interact. energy: 0.500
local terms energy: -230.319242
where:
bonds (distance) C4'-P energy: -74.547
bonds (distance) P-C4' energy: -74.002
flat angles C4'-P-C4' energy: -60.326
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -0.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1251.342256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.342256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.342256 (E_RNA)
where:
Base-Base interactions energy: -757.314
where: short stacking energy: -433.382
Base-Backbone interact. energy: -3.102
local terms energy: -490.925735
where:
bonds (distance) C4'-P energy: -88.136
bonds (distance) P-C4' energy: -99.600
flat angles C4'-P-C4' energy: -100.244
flat angles P-C4'-P energy: -73.696
tors. eta vs tors. theta energy: -129.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1092.605479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.605479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.605479 (E_RNA)
where:
Base-Base interactions energy: -656.846
where: short stacking energy: -380.464
Base-Backbone interact. energy: -1.332
local terms energy: -434.427567
where:
bonds (distance) C4'-P energy: -81.380
bonds (distance) P-C4' energy: -82.420
flat angles C4'-P-C4' energy: -91.259
flat angles P-C4'-P energy: -66.804
tors. eta vs tors. theta energy: -112.565
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: 9
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -934.572816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.572816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.572816 (E_RNA)
where:
Base-Base interactions energy: -522.567
where: short stacking energy: -333.208
Base-Backbone interact. energy: -0.855
local terms energy: -411.150562
where:
bonds (distance) C4'-P energy: -91.111
bonds (distance) P-C4' energy: -73.728
flat angles C4'-P-C4' energy: -99.163
flat angles P-C4'-P energy: -63.016
tors. eta vs tors. theta energy: -84.133
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: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -719.823141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.823141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.823141 (E_RNA)
where:
Base-Base interactions energy: -351.964
where: short stacking energy: -240.936
Base-Backbone interact. energy: -0.051
local terms energy: -367.807809
where:
bonds (distance) C4'-P energy: -87.909
bonds (distance) P-C4' energy: -97.992
flat angles C4'-P-C4' energy: -79.502
flat angles P-C4'-P energy: -60.845
tors. eta vs tors. theta energy: -41.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -718.631644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.631644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.631644 (E_RNA)
where:
Base-Base interactions energy: -388.307
where: short stacking energy: -262.943
Base-Backbone interact. energy: -0.298
local terms energy: -330.026351
where:
bonds (distance) C4'-P energy: -77.760
bonds (distance) P-C4' energy: -74.052
flat angles C4'-P-C4' energy: -91.292
flat angles P-C4'-P energy: -47.273
tors. eta vs tors. theta energy: -39.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -558.903463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.903463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.903463 (E_RNA)
where:
Base-Base interactions energy: -238.484
where: short stacking energy: -166.745
Base-Backbone interact. energy: 0.496
local terms energy: -320.916427
where:
bonds (distance) C4'-P energy: -86.960
bonds (distance) P-C4' energy: -72.161
flat angles C4'-P-C4' energy: -86.975
flat angles P-C4'-P energy: -53.859
tors. eta vs tors. theta energy: -20.963
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: 7
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -475.390483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.390483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.390483 (E_RNA)
where:
Base-Base interactions energy: -177.191
where: short stacking energy: -169.735
Base-Backbone interact. energy: -0.551
local terms energy: -297.647795
where:
bonds (distance) C4'-P energy: -87.042
bonds (distance) P-C4' energy: -82.221
flat angles C4'-P-C4' energy: -71.004
flat angles P-C4'-P energy: -41.532
tors. eta vs tors. theta energy: -15.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -428.784489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.784489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.784489 (E_RNA)
where:
Base-Base interactions energy: -162.113
where: short stacking energy: -120.514
Base-Backbone interact. energy: 0.774
local terms energy: -267.444902
where:
bonds (distance) C4'-P energy: -84.498
bonds (distance) P-C4' energy: -80.152
flat angles C4'-P-C4' energy: -54.265
flat angles P-C4'-P energy: -44.421
tors. eta vs tors. theta energy: -4.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -365.136334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.136334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.136334 (E_RNA)
where:
Base-Base interactions energy: -123.370
where: short stacking energy: -102.843
Base-Backbone interact. energy: -0.431
local terms energy: -241.335685
where:
bonds (distance) C4'-P energy: -64.498
bonds (distance) P-C4' energy: -74.531
flat angles C4'-P-C4' energy: -68.624
flat angles P-C4'-P energy: -50.892
tors. eta vs tors. theta energy: 17.210
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: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -350.102026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.102026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.102026 (E_RNA)
where:
Base-Base interactions energy: -117.660
where: short stacking energy: -81.035
Base-Backbone interact. energy: 1.142
local terms energy: -233.583694
where:
bonds (distance) C4'-P energy: -59.908
bonds (distance) P-C4' energy: -80.675
flat angles C4'-P-C4' energy: -70.744
flat angles P-C4'-P energy: -46.456
tors. eta vs tors. theta energy: 24.199
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1255.429629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.429629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.429629 (E_RNA)
where:
Base-Base interactions energy: -757.385
where: short stacking energy: -419.017
Base-Backbone interact. energy: -1.053
local terms energy: -496.992332
where:
bonds (distance) C4'-P energy: -98.048
bonds (distance) P-C4' energy: -95.474
flat angles C4'-P-C4' energy: -100.972
flat angles P-C4'-P energy: -72.314
tors. eta vs tors. theta energy: -130.184
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: 8
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1163.335187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.335187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.335187 (E_RNA)
where:
Base-Base interactions energy: -689.790
where: short stacking energy: -403.425
Base-Backbone interact. energy: 0.083
local terms energy: -473.627480
where:
bonds (distance) C4'-P energy: -82.003
bonds (distance) P-C4' energy: -99.821
flat angles C4'-P-C4' energy: -92.006
flat angles P-C4'-P energy: -63.840
tors. eta vs tors. theta energy: -135.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -924.937409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.937409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.937409 (E_RNA)
where:
Base-Base interactions energy: -516.220
where: short stacking energy: -325.355
Base-Backbone interact. energy: 0.774
local terms energy: -409.491042
where:
bonds (distance) C4'-P energy: -79.281
bonds (distance) P-C4' energy: -95.006
flat angles C4'-P-C4' energy: -89.735
flat angles P-C4'-P energy: -57.068
tors. eta vs tors. theta energy: -88.401
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: 388
Temperature: 1.050000
Total energy: -740.744921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.744921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.744921 (E_RNA)
where:
Base-Base interactions energy: -372.781
where: short stacking energy: -266.891
Base-Backbone interact. energy: 1.254
local terms energy: -369.217109
where:
bonds (distance) C4'-P energy: -92.472
bonds (distance) P-C4' energy: -94.313
flat angles C4'-P-C4' energy: -81.757
flat angles P-C4'-P energy: -45.921
tors. eta vs tors. theta energy: -54.754
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: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -732.368476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.368476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.368476 (E_RNA)
where:
Base-Base interactions energy: -390.313
where: short stacking energy: -235.354
Base-Backbone interact. energy: -1.059
local terms energy: -340.996446
where:
bonds (distance) C4'-P energy: -86.210
bonds (distance) P-C4' energy: -77.873
flat angles C4'-P-C4' energy: -84.428
flat angles P-C4'-P energy: -47.357
tors. eta vs tors. theta energy: -45.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -518.051841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.051841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.051841 (E_RNA)
where:
Base-Base interactions energy: -226.225
where: short stacking energy: -151.278
Base-Backbone interact. energy: 0.935
local terms energy: -292.762031
where:
bonds (distance) C4'-P energy: -71.522
bonds (distance) P-C4' energy: -98.536
flat angles C4'-P-C4' energy: -73.913
flat angles P-C4'-P energy: -43.899
tors. eta vs tors. theta energy: -4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -461.601490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.601490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.601490 (E_RNA)
where:
Base-Base interactions energy: -164.281
where: short stacking energy: -119.489
Base-Backbone interact. energy: 0.188
local terms energy: -297.508490
where:
bonds (distance) C4'-P energy: -88.973
bonds (distance) P-C4' energy: -91.678
flat angles C4'-P-C4' energy: -77.124
flat angles P-C4'-P energy: -49.244
tors. eta vs tors. theta energy: 9.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -412.050317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.050317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.050317 (E_RNA)
where:
Base-Base interactions energy: -144.412
where: short stacking energy: -109.884
Base-Backbone interact. energy: 1.657
local terms energy: -269.295439
where:
bonds (distance) C4'-P energy: -61.656
bonds (distance) P-C4' energy: -86.858
flat angles C4'-P-C4' energy: -71.989
flat angles P-C4'-P energy: -50.730
tors. eta vs tors. theta energy: 1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -384.988737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.988737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.988737 (E_RNA)
where:
Base-Base interactions energy: -130.419
where: short stacking energy: -114.530
Base-Backbone interact. energy: -3.272
local terms energy: -251.298158
where:
bonds (distance) C4'-P energy: -71.428
bonds (distance) P-C4' energy: -86.544
flat angles C4'-P-C4' energy: -65.163
flat angles P-C4'-P energy: -35.979
tors. eta vs tors. theta energy: 7.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -347.209970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.209970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.209970 (E_RNA)
where:
Base-Base interactions energy: -111.764
where: short stacking energy: -103.720
Base-Backbone interact. energy: -1.361
local terms energy: -234.085098
where:
bonds (distance) C4'-P energy: -67.198
bonds (distance) P-C4' energy: -70.350
flat angles C4'-P-C4' energy: -77.838
flat angles P-C4'-P energy: -46.683
tors. eta vs tors. theta energy: 27.984
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1218.451273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.451273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.451273 (E_RNA)
where:
Base-Base interactions energy: -744.296
where: short stacking energy: -411.870
Base-Backbone interact. energy: -0.989
local terms energy: -473.166227
where:
bonds (distance) C4'-P energy: -84.255
bonds (distance) P-C4' energy: -106.117
flat angles C4'-P-C4' energy: -91.222
flat angles P-C4'-P energy: -68.366
tors. eta vs tors. theta energy: -123.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1166.120111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.120111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.120111 (E_RNA)
where:
Base-Base interactions energy: -687.758
where: short stacking energy: -410.863
Base-Backbone interact. energy: -1.686
local terms energy: -476.675867
where:
bonds (distance) C4'-P energy: -88.942
bonds (distance) P-C4' energy: -101.951
flat angles C4'-P-C4' energy: -95.430
flat angles P-C4'-P energy: -64.259
tors. eta vs tors. theta energy: -126.094
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: 3, replica: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -993.705355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.705355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.705355 (E_RNA)
where:
Base-Base interactions energy: -564.344
where: short stacking energy: -357.988
Base-Backbone interact. energy: -1.127
local terms energy: -428.234013
where:
bonds (distance) C4'-P energy: -85.078
bonds (distance) P-C4' energy: -103.940
flat angles C4'-P-C4' energy: -88.048
flat angles P-C4'-P energy: -53.982
tors. eta vs tors. theta energy: -97.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -796.190671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.190671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.190671 (E_RNA)
where:
Base-Base interactions energy: -403.651
where: short stacking energy: -266.734
Base-Backbone interact. energy: -2.169
local terms energy: -390.370553
where:
bonds (distance) C4'-P energy: -89.451
bonds (distance) P-C4' energy: -86.209
flat angles C4'-P-C4' energy: -96.552
flat angles P-C4'-P energy: -48.113
tors. eta vs tors. theta energy: -70.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -692.150062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.150062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.150062 (E_RNA)
where:
Base-Base interactions energy: -372.627
where: short stacking energy: -228.878
Base-Backbone interact. energy: -1.792
local terms energy: -317.731932
where:
bonds (distance) C4'-P energy: -70.328
bonds (distance) P-C4' energy: -77.115
flat angles C4'-P-C4' energy: -85.327
flat angles P-C4'-P energy: -50.427
tors. eta vs tors. theta energy: -34.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -524.150767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.150767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.150767 (E_RNA)
where:
Base-Base interactions energy: -233.688
where: short stacking energy: -188.897
Base-Backbone interact. energy: -1.339
local terms energy: -289.123771
where:
bonds (distance) C4'-P energy: -73.058
bonds (distance) P-C4' energy: -82.050
flat angles C4'-P-C4' energy: -85.004
flat angles P-C4'-P energy: -25.687
tors. eta vs tors. theta energy: -23.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -476.692301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.692301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.692301 (E_RNA)
where:
Base-Base interactions energy: -182.722
where: short stacking energy: -168.450
Base-Backbone interact. energy: 4.234
local terms energy: -298.204126
where:
bonds (distance) C4'-P energy: -74.317
bonds (distance) P-C4' energy: -88.370
flat angles C4'-P-C4' energy: -70.975
flat angles P-C4'-P energy: -39.788
tors. eta vs tors. theta energy: -24.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -425.285021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.285021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.285021 (E_RNA)
where:
Base-Base interactions energy: -175.511
where: short stacking energy: -124.042
Base-Backbone interact. energy: -2.292
local terms energy: -247.482200
where:
bonds (distance) C4'-P energy: -60.964
bonds (distance) P-C4' energy: -72.401
flat angles C4'-P-C4' energy: -65.051
flat angles P-C4'-P energy: -56.527
tors. eta vs tors. theta energy: 7.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -391.931272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.931272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.931272 (E_RNA)
where:
Base-Base interactions energy: -121.154
where: short stacking energy: -106.158
Base-Backbone interact. energy: -0.524
local terms energy: -270.253432
where:
bonds (distance) C4'-P energy: -85.015
bonds (distance) P-C4' energy: -81.005
flat angles C4'-P-C4' energy: -71.241
flat angles P-C4'-P energy: -39.494
tors. eta vs tors. theta energy: 6.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -374.586781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.586781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.586781 (E_RNA)
where:
Base-Base interactions energy: -126.250
where: short stacking energy: -108.141
Base-Backbone interact. energy: -1.008
local terms energy: -247.329047
where:
bonds (distance) C4'-P energy: -73.618
bonds (distance) P-C4' energy: -63.283
flat angles C4'-P-C4' energy: -77.610
flat angles P-C4'-P energy: -30.850
tors. eta vs tors. theta energy: -1.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1186.611102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.611102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.611102 (E_RNA)
where:
Base-Base interactions energy: -717.892
where: short stacking energy: -425.003
Base-Backbone interact. energy: -1.171
local terms energy: -467.548632
where:
bonds (distance) C4'-P energy: -86.468
bonds (distance) P-C4' energy: -94.255
flat angles C4'-P-C4' energy: -104.566
flat angles P-C4'-P energy: -58.848
tors. eta vs tors. theta energy: -123.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1146.657554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.657554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.657554 (E_RNA)
where:
Base-Base interactions energy: -671.573
where: short stacking energy: -397.160
Base-Backbone interact. energy: 0.447
local terms energy: -475.531754
where:
bonds (distance) C4'-P energy: -92.706
bonds (distance) P-C4' energy: -94.842
flat angles C4'-P-C4' energy: -100.812
flat angles P-C4'-P energy: -72.222
tors. eta vs tors. theta energy: -114.949
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: 3, replica: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -996.047273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.047273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.047273 (E_RNA)
where:
Base-Base interactions energy: -568.055
where: short stacking energy: -344.893
Base-Backbone interact. energy: -0.864
local terms energy: -427.128511
where:
bonds (distance) C4'-P energy: -85.624
bonds (distance) P-C4' energy: -91.764
flat angles C4'-P-C4' energy: -91.831
flat angles P-C4'-P energy: -62.392
tors. eta vs tors. theta energy: -95.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -799.304415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.304415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.304415 (E_RNA)
where:
Base-Base interactions energy: -411.347
where: short stacking energy: -270.493
Base-Backbone interact. energy: -1.139
local terms energy: -386.819210
where:
bonds (distance) C4'-P energy: -95.408
bonds (distance) P-C4' energy: -92.316
flat angles C4'-P-C4' energy: -83.507
flat angles P-C4'-P energy: -46.493
tors. eta vs tors. theta energy: -69.096
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: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -665.433477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.433477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.433477 (E_RNA)
where:
Base-Base interactions energy: -311.333
where: short stacking energy: -193.561
Base-Backbone interact. energy: 1.189
local terms energy: -355.290120
where:
bonds (distance) C4'-P energy: -85.753
bonds (distance) P-C4' energy: -96.346
flat angles C4'-P-C4' energy: -82.210
flat angles P-C4'-P energy: -48.824
tors. eta vs tors. theta energy: -42.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -555.522600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.522600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.522600 (E_RNA)
where:
Base-Base interactions energy: -252.446
where: short stacking energy: -173.336
Base-Backbone interact. energy: -0.191
local terms energy: -302.885886
where:
bonds (distance) C4'-P energy: -63.313
bonds (distance) P-C4' energy: -91.639
flat angles C4'-P-C4' energy: -70.900
flat angles P-C4'-P energy: -55.202
tors. eta vs tors. theta energy: -21.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -489.452723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.452723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.452723 (E_RNA)
where:
Base-Base interactions energy: -198.811
where: short stacking energy: -150.250
Base-Backbone interact. energy: 0.801
local terms energy: -291.442628
where:
bonds (distance) C4'-P energy: -87.152
bonds (distance) P-C4' energy: -77.186
flat angles C4'-P-C4' energy: -77.363
flat angles P-C4'-P energy: -33.731
tors. eta vs tors. theta energy: -16.010
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: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -415.668910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.668910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.668910 (E_RNA)
where:
Base-Base interactions energy: -151.560
where: short stacking energy: -141.302
Base-Backbone interact. energy: -1.058
local terms energy: -263.051133
where:
bonds (distance) C4'-P energy: -72.121
bonds (distance) P-C4' energy: -74.980
flat angles C4'-P-C4' energy: -83.667
flat angles P-C4'-P energy: -42.201
tors. eta vs tors. theta energy: 9.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -380.105645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.105645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.105645 (E_RNA)
where:
Base-Base interactions energy: -125.623
where: short stacking energy: -91.184
Base-Backbone interact. energy: 0.892
local terms energy: -255.373915
where:
bonds (distance) C4'-P energy: -93.602
bonds (distance) P-C4' energy: -86.332
flat angles C4'-P-C4' energy: -57.869
flat angles P-C4'-P energy: -45.978
tors. eta vs tors. theta energy: 28.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -359.698247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.698247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.698247 (E_RNA)
where:
Base-Base interactions energy: -107.128
where: short stacking energy: -88.760
Base-Backbone interact. energy: -0.164
local terms energy: -252.405857
where:
bonds (distance) C4'-P energy: -86.752
bonds (distance) P-C4' energy: -79.792
flat angles C4'-P-C4' energy: -67.973
flat angles P-C4'-P energy: -30.011
tors. eta vs tors. theta energy: 12.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1201.892698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.892698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.892698 (E_RNA)
where:
Base-Base interactions energy: -733.633
where: short stacking energy: -435.561
Base-Backbone interact. energy: 2.417
local terms energy: -470.677399
where:
bonds (distance) C4'-P energy: -95.463
bonds (distance) P-C4' energy: -85.302
flat angles C4'-P-C4' energy: -101.714
flat angles P-C4'-P energy: -65.349
tors. eta vs tors. theta energy: -122.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1184.721511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.721511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.721511 (E_RNA)
where:
Base-Base interactions energy: -691.402
where: short stacking energy: -382.069
Base-Backbone interact. energy: -2.173
local terms energy: -491.145917
where:
bonds (distance) C4'-P energy: -95.990
bonds (distance) P-C4' energy: -97.910
flat angles C4'-P-C4' energy: -101.668
flat angles P-C4'-P energy: -71.662
tors. eta vs tors. theta energy: -123.916
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: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1025.658740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.658740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.658740 (E_RNA)
where:
Base-Base interactions energy: -602.137
where: short stacking energy: -355.209
Base-Backbone interact. energy: -0.832
local terms energy: -422.690397
where:
bonds (distance) C4'-P energy: -93.549
bonds (distance) P-C4' energy: -75.097
flat angles C4'-P-C4' energy: -82.107
flat angles P-C4'-P energy: -73.191
tors. eta vs tors. theta energy: -98.746
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: 3
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -793.737006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.737006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.737006 (E_RNA)
where:
Base-Base interactions energy: -412.153
where: short stacking energy: -267.793
Base-Backbone interact. energy: -0.841
local terms energy: -380.742686
where:
bonds (distance) C4'-P energy: -73.009
bonds (distance) P-C4' energy: -90.229
flat angles C4'-P-C4' energy: -94.519
flat angles P-C4'-P energy: -61.626
tors. eta vs tors. theta energy: -61.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -649.095950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.095950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.095950 (E_RNA)
where:
Base-Base interactions energy: -319.647
where: short stacking energy: -219.846
Base-Backbone interact. energy: 2.910
local terms energy: -332.359052
where:
bonds (distance) C4'-P energy: -81.950
bonds (distance) P-C4' energy: -88.817
flat angles C4'-P-C4' energy: -82.531
flat angles P-C4'-P energy: -45.068
tors. eta vs tors. theta energy: -33.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -545.429719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.429719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.429719 (E_RNA)
where:
Base-Base interactions energy: -228.120
where: short stacking energy: -160.642
Base-Backbone interact. energy: -2.632
local terms energy: -314.678010
where:
bonds (distance) C4'-P energy: -90.270
bonds (distance) P-C4' energy: -81.278
flat angles C4'-P-C4' energy: -76.471
flat angles P-C4'-P energy: -40.972
tors. eta vs tors. theta energy: -25.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -484.214854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.214854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.214854 (E_RNA)
where:
Base-Base interactions energy: -197.106
where: short stacking energy: -134.851
Base-Backbone interact. energy: 0.021
local terms energy: -287.129000
where:
bonds (distance) C4'-P energy: -80.423
bonds (distance) P-C4' energy: -90.279
flat angles C4'-P-C4' energy: -75.117
flat angles P-C4'-P energy: -48.029
tors. eta vs tors. theta energy: 6.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -398.096045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.096045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.096045 (E_RNA)
where:
Base-Base interactions energy: -123.854
where: short stacking energy: -113.632
Base-Backbone interact. energy: 4.732
local terms energy: -278.973427
where:
bonds (distance) C4'-P energy: -82.733
bonds (distance) P-C4' energy: -85.592
flat angles C4'-P-C4' energy: -71.460
flat angles P-C4'-P energy: -51.898
tors. eta vs tors. theta energy: 12.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -377.397267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.397267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.397267 (E_RNA)
where:
Base-Base interactions energy: -108.017
where: short stacking energy: -95.991
Base-Backbone interact. energy: 4.541
local terms energy: -273.921531
where:
bonds (distance) C4'-P energy: -75.561
bonds (distance) P-C4' energy: -101.864
flat angles C4'-P-C4' energy: -67.162
flat angles P-C4'-P energy: -34.611
tors. eta vs tors. theta energy: 5.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -358.538500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.538500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.538500 (E_RNA)
where:
Base-Base interactions energy: -128.428
where: short stacking energy: -105.908
Base-Backbone interact. energy: 0.570
local terms energy: -230.681208
where:
bonds (distance) C4'-P energy: -65.641
bonds (distance) P-C4' energy: -75.304
flat angles C4'-P-C4' energy: -66.838
flat angles P-C4'-P energy: -40.984
tors. eta vs tors. theta energy: 18.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1230.909552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.909552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.909552 (E_RNA)
where:
Base-Base interactions energy: -742.762
where: short stacking energy: -414.967
Base-Backbone interact. energy: -1.697
local terms energy: -486.451328
where:
bonds (distance) C4'-P energy: -103.740
bonds (distance) P-C4' energy: -81.644
flat angles C4'-P-C4' energy: -110.102
flat angles P-C4'-P energy: -64.428
tors. eta vs tors. theta energy: -126.537
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: 8
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1171.494521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.494521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.494521 (E_RNA)
where:
Base-Base interactions energy: -691.872
where: short stacking energy: -397.871
Base-Backbone interact. energy: -0.995
local terms energy: -478.628078
where:
bonds (distance) C4'-P energy: -91.414
bonds (distance) P-C4' energy: -101.853
flat angles C4'-P-C4' energy: -94.023
flat angles P-C4'-P energy: -65.010
tors. eta vs tors. theta energy: -126.328
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: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1022.730865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.730865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.730865 (E_RNA)
where:
Base-Base interactions energy: -589.470
where: short stacking energy: -365.359
Base-Backbone interact. energy: -1.660
local terms energy: -431.600259
where:
bonds (distance) C4'-P energy: -99.035
bonds (distance) P-C4' energy: -79.655
flat angles C4'-P-C4' energy: -98.247
flat angles P-C4'-P energy: -46.990
tors. eta vs tors. theta energy: -107.672
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: 392
Temperature: 1.050000
Total energy: -824.185282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.185282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.185282 (E_RNA)
where:
Base-Base interactions energy: -454.885
where: short stacking energy: -268.440
Base-Backbone interact. energy: -1.831
local terms energy: -367.469542
where:
bonds (distance) C4'-P energy: -82.578
bonds (distance) P-C4' energy: -91.150
flat angles C4'-P-C4' energy: -92.272
flat angles P-C4'-P energy: -47.280
tors. eta vs tors. theta energy: -54.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -678.097379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.097379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.097379 (E_RNA)
where:
Base-Base interactions energy: -337.710
where: short stacking energy: -220.600
Base-Backbone interact. energy: -1.005
local terms energy: -339.381965
where:
bonds (distance) C4'-P energy: -87.733
bonds (distance) P-C4' energy: -77.871
flat angles C4'-P-C4' energy: -75.317
flat angles P-C4'-P energy: -54.087
tors. eta vs tors. theta energy: -44.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -600.162849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.162849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.162849 (E_RNA)
where:
Base-Base interactions energy: -272.681
where: short stacking energy: -223.524
Base-Backbone interact. energy: -0.606
local terms energy: -326.876078
where:
bonds (distance) C4'-P energy: -89.258
bonds (distance) P-C4' energy: -90.881
flat angles C4'-P-C4' energy: -75.736
flat angles P-C4'-P energy: -45.011
tors. eta vs tors. theta energy: -25.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -488.648921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.648921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.648921 (E_RNA)
where:
Base-Base interactions energy: -190.442
where: short stacking energy: -151.722
Base-Backbone interact. energy: 1.336
local terms energy: -299.542838
where:
bonds (distance) C4'-P energy: -82.646
bonds (distance) P-C4' energy: -70.153
flat angles C4'-P-C4' energy: -82.602
flat angles P-C4'-P energy: -44.469
tors. eta vs tors. theta energy: -19.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -410.341153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.341153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.341153 (E_RNA)
where:
Base-Base interactions energy: -139.243
where: short stacking energy: -120.503
Base-Backbone interact. energy: 0.100
local terms energy: -271.197827
where:
bonds (distance) C4'-P energy: -89.237
bonds (distance) P-C4' energy: -94.048
flat angles C4'-P-C4' energy: -60.647
flat angles P-C4'-P energy: -23.999
tors. eta vs tors. theta energy: -3.267
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: 1
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -364.521100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.521100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.521100 (E_RNA)
where:
Base-Base interactions energy: -116.849
where: short stacking energy: -97.946
Base-Backbone interact. energy: 6.832
local terms energy: -254.503929
where:
bonds (distance) C4'-P energy: -72.270
bonds (distance) P-C4' energy: -90.236
flat angles C4'-P-C4' energy: -70.265
flat angles P-C4'-P energy: -37.507
tors. eta vs tors. theta energy: 15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -340.221983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.221983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.221983 (E_RNA)
where:
Base-Base interactions energy: -96.538
where: short stacking energy: -86.640
Base-Backbone interact. energy: 0.899
local terms energy: -244.582982
where:
bonds (distance) C4'-P energy: -77.073
bonds (distance) P-C4' energy: -87.999
flat angles C4'-P-C4' energy: -58.963
flat angles P-C4'-P energy: -44.848
tors. eta vs tors. theta energy: 24.300
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1202.266509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.266509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.266509 (E_RNA)
where:
Base-Base interactions energy: -725.592
where: short stacking energy: -412.517
Base-Backbone interact. energy: -2.036
local terms energy: -474.638485
where:
bonds (distance) C4'-P energy: -89.579
bonds (distance) P-C4' energy: -94.538
flat angles C4'-P-C4' energy: -95.524
flat angles P-C4'-P energy: -70.703
tors. eta vs tors. theta energy: -124.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1153.606845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.606845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.606845 (E_RNA)
where:
Base-Base interactions energy: -682.209
where: short stacking energy: -380.742
Base-Backbone interact. energy: -0.602
local terms energy: -470.795964
where:
bonds (distance) C4'-P energy: -86.480
bonds (distance) P-C4' energy: -96.138
flat angles C4'-P-C4' energy: -97.158
flat angles P-C4'-P energy: -69.858
tors. eta vs tors. theta energy: -121.163
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: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1010.123282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.123282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.123282 (E_RNA)
where:
Base-Base interactions energy: -580.896
where: short stacking energy: -352.097
Base-Backbone interact. energy: 0.210
local terms energy: -429.437880
where:
bonds (distance) C4'-P energy: -98.082
bonds (distance) P-C4' energy: -88.100
flat angles C4'-P-C4' energy: -91.914
flat angles P-C4'-P energy: -54.469
tors. eta vs tors. theta energy: -96.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -823.453083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.453083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.453083 (E_RNA)
where:
Base-Base interactions energy: -444.479
where: short stacking energy: -288.182
Base-Backbone interact. energy: 1.717
local terms energy: -380.690649
where:
bonds (distance) C4'-P energy: -91.145
bonds (distance) P-C4' energy: -93.260
flat angles C4'-P-C4' energy: -76.260
flat angles P-C4'-P energy: -43.725
tors. eta vs tors. theta energy: -76.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -695.146598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.146598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.146598 (E_RNA)
where:
Base-Base interactions energy: -337.177
where: short stacking energy: -221.693
Base-Backbone interact. energy: 0.331
local terms energy: -358.300228
where:
bonds (distance) C4'-P energy: -86.613
bonds (distance) P-C4' energy: -85.751
flat angles C4'-P-C4' energy: -95.923
flat angles P-C4'-P energy: -48.495
tors. eta vs tors. theta energy: -41.518
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: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -551.695924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.695924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.695924 (E_RNA)
where:
Base-Base interactions energy: -226.641
where: short stacking energy: -180.115
Base-Backbone interact. energy: -0.305
local terms energy: -324.749914
where:
bonds (distance) C4'-P energy: -85.589
bonds (distance) P-C4' energy: -80.204
flat angles C4'-P-C4' energy: -79.740
flat angles P-C4'-P energy: -46.749
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: 2
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -548.943990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.943990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.943990 (E_RNA)
where:
Base-Base interactions energy: -219.561
where: short stacking energy: -168.202
Base-Backbone interact. energy: -1.682
local terms energy: -327.700980
where:
bonds (distance) C4'-P energy: -83.537
bonds (distance) P-C4' energy: -82.822
flat angles C4'-P-C4' energy: -75.241
flat angles P-C4'-P energy: -59.674
tors. eta vs tors. theta energy: -26.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -436.011625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.011625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.011625 (E_RNA)
where:
Base-Base interactions energy: -162.344
where: short stacking energy: -125.107
Base-Backbone interact. energy: -1.221
local terms energy: -272.446427
where:
bonds (distance) C4'-P energy: -79.928
bonds (distance) P-C4' energy: -83.707
flat angles C4'-P-C4' energy: -85.696
flat angles P-C4'-P energy: -29.003
tors. eta vs tors. theta energy: 5.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -380.254435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.254435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.254435 (E_RNA)
where:
Base-Base interactions energy: -130.023
where: short stacking energy: -112.851
Base-Backbone interact. energy: 2.562
local terms energy: -252.793749
where:
bonds (distance) C4'-P energy: -72.422
bonds (distance) P-C4' energy: -81.384
flat angles C4'-P-C4' energy: -51.832
flat angles P-C4'-P energy: -54.531
tors. eta vs tors. theta energy: 7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -366.216117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.216117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.216117 (E_RNA)
where:
Base-Base interactions energy: -118.701
where: short stacking energy: -83.275
Base-Backbone interact. energy: 0.909
local terms energy: -248.423581
where:
bonds (distance) C4'-P energy: -69.896
bonds (distance) P-C4' energy: -83.436
flat angles C4'-P-C4' energy: -66.910
flat angles P-C4'-P energy: -51.592
tors. eta vs tors. theta energy: 23.411
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1207.433886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.433886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.433886 (E_RNA)
where:
Base-Base interactions energy: -737.176
where: short stacking energy: -422.916
Base-Backbone interact. energy: -1.814
local terms energy: -468.443836
where:
bonds (distance) C4'-P energy: -92.276
bonds (distance) P-C4' energy: -94.570
flat angles C4'-P-C4' energy: -92.297
flat angles P-C4'-P energy: -68.643
tors. eta vs tors. theta energy: -120.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1186.477083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.477083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.477083 (E_RNA)
where:
Base-Base interactions energy: -699.451
where: short stacking energy: -398.037
Base-Backbone interact. energy: -0.275
local terms energy: -486.751128
where:
bonds (distance) C4'-P energy: -97.179
bonds (distance) P-C4' energy: -100.522
flat angles C4'-P-C4' energy: -99.495
flat angles P-C4'-P energy: -59.916
tors. eta vs tors. theta energy: -129.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -982.855338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.855338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.855338 (E_RNA)
where:
Base-Base interactions energy: -537.920
where: short stacking energy: -321.068
Base-Backbone interact. energy: -2.606
local terms energy: -442.329873
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -96.079
flat angles C4'-P-C4' energy: -104.554
flat angles P-C4'-P energy: -67.868
tors. eta vs tors. theta energy: -79.376
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: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -805.111226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.111226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.111226 (E_RNA)
where:
Base-Base interactions energy: -421.900
where: short stacking energy: -267.190
Base-Backbone interact. energy: -0.848
local terms energy: -382.363344
where:
bonds (distance) C4'-P energy: -82.710
bonds (distance) P-C4' energy: -87.576
flat angles C4'-P-C4' energy: -93.572
flat angles P-C4'-P energy: -56.133
tors. eta vs tors. theta energy: -62.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -691.639554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.639554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.639554 (E_RNA)
where:
Base-Base interactions energy: -353.815
where: short stacking energy: -193.758
Base-Backbone interact. energy: -0.843
local terms energy: -336.981345
where:
bonds (distance) C4'-P energy: -78.648
bonds (distance) P-C4' energy: -84.833
flat angles C4'-P-C4' energy: -86.349
flat angles P-C4'-P energy: -54.205
tors. eta vs tors. theta energy: -32.947
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: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -522.764049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.764049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.764049 (E_RNA)
where:
Base-Base interactions energy: -222.191
where: short stacking energy: -170.521
Base-Backbone interact. energy: -0.375
local terms energy: -300.197291
where:
bonds (distance) C4'-P energy: -81.366
bonds (distance) P-C4' energy: -83.099
flat angles C4'-P-C4' energy: -72.377
flat angles P-C4'-P energy: -55.730
tors. eta vs tors. theta energy: -7.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -539.105161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.105161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.105161 (E_RNA)
where:
Base-Base interactions energy: -234.560
where: short stacking energy: -135.807
Base-Backbone interact. energy: -0.020
local terms energy: -304.525347
where:
bonds (distance) C4'-P energy: -81.068
bonds (distance) P-C4' energy: -98.822
flat angles C4'-P-C4' energy: -82.685
flat angles P-C4'-P energy: -46.953
tors. eta vs tors. theta energy: 5.002
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: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -437.119514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.119514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.119514 (E_RNA)
where:
Base-Base interactions energy: -151.744
where: short stacking energy: -144.731
Base-Backbone interact. energy: -0.549
local terms energy: -284.826864
where:
bonds (distance) C4'-P energy: -75.775
bonds (distance) P-C4' energy: -77.914
flat angles C4'-P-C4' energy: -76.404
flat angles P-C4'-P energy: -49.115
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -401.356640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.356640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.356640 (E_RNA)
where:
Base-Base interactions energy: -117.398
where: short stacking energy: -114.820
Base-Backbone interact. energy: 0.642
local terms energy: -284.600317
where:
bonds (distance) C4'-P energy: -79.288
bonds (distance) P-C4' energy: -76.894
flat angles C4'-P-C4' energy: -65.393
flat angles P-C4'-P energy: -60.565
tors. eta vs tors. theta energy: -2.461
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: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -349.932930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.932930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.932930 (E_RNA)
where:
Base-Base interactions energy: -102.634
where: short stacking energy: -91.228
Base-Backbone interact. energy: -2.524
local terms energy: -244.775323
where:
bonds (distance) C4'-P energy: -82.744
bonds (distance) P-C4' energy: -74.678
flat angles C4'-P-C4' energy: -57.983
flat angles P-C4'-P energy: -41.400
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1197.973489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.973489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.973489 (E_RNA)
where:
Base-Base interactions energy: -717.681
where: short stacking energy: -415.778
Base-Backbone interact. energy: -2.750
local terms energy: -477.541849
where:
bonds (distance) C4'-P energy: -88.743
bonds (distance) P-C4' energy: -92.350
flat angles C4'-P-C4' energy: -104.695
flat angles P-C4'-P energy: -75.715
tors. eta vs tors. theta energy: -116.039
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: 2, replica: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1207.760654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.760654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.760654 (E_RNA)
where:
Base-Base interactions energy: -724.014
where: short stacking energy: -438.698
Base-Backbone interact. energy: 0.035
local terms energy: -483.781916
where:
bonds (distance) C4'-P energy: -93.319
bonds (distance) P-C4' energy: -97.183
flat angles C4'-P-C4' energy: -98.228
flat angles P-C4'-P energy: -62.940
tors. eta vs tors. theta energy: -132.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -985.133076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.133076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.133076 (E_RNA)
where:
Base-Base interactions energy: -560.142
where: short stacking energy: -355.090
Base-Backbone interact. energy: 2.498
local terms energy: -427.488921
where:
bonds (distance) C4'-P energy: -84.941
bonds (distance) P-C4' energy: -74.692
flat angles C4'-P-C4' energy: -98.050
flat angles P-C4'-P energy: -65.296
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: 4, replica: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -777.897721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.897721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.897721 (E_RNA)
where:
Base-Base interactions energy: -414.156
where: short stacking energy: -254.046
Base-Backbone interact. energy: 1.066
local terms energy: -364.808441
where:
bonds (distance) C4'-P energy: -76.288
bonds (distance) P-C4' energy: -78.550
flat angles C4'-P-C4' energy: -92.295
flat angles P-C4'-P energy: -63.522
tors. eta vs tors. theta energy: -54.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -690.743439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.743439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.743439 (E_RNA)
where:
Base-Base interactions energy: -369.316
where: short stacking energy: -233.783
Base-Backbone interact. energy: 0.970
local terms energy: -322.397639
where:
bonds (distance) C4'-P energy: -67.171
bonds (distance) P-C4' energy: -85.509
flat angles C4'-P-C4' energy: -68.531
flat angles P-C4'-P energy: -62.804
tors. eta vs tors. theta energy: -38.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -620.519818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.519818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.519818 (E_RNA)
where:
Base-Base interactions energy: -292.166
where: short stacking energy: -196.162
Base-Backbone interact. energy: 2.218
local terms energy: -330.572658
where:
bonds (distance) C4'-P energy: -86.360
bonds (distance) P-C4' energy: -88.932
flat angles C4'-P-C4' energy: -79.278
flat angles P-C4'-P energy: -47.651
tors. eta vs tors. theta energy: -28.352
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: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -502.299842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.299842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.299842 (E_RNA)
where:
Base-Base interactions energy: -212.916
where: short stacking energy: -158.808
Base-Backbone interact. energy: -0.377
local terms energy: -289.006712
where:
bonds (distance) C4'-P energy: -76.881
bonds (distance) P-C4' energy: -83.470
flat angles C4'-P-C4' energy: -79.589
flat angles P-C4'-P energy: -45.481
tors. eta vs tors. theta energy: -3.586
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: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -413.261084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.261084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.261084 (E_RNA)
where:
Base-Base interactions energy: -146.110
where: short stacking energy: -107.323
Base-Backbone interact. energy: 2.519
local terms energy: -269.669720
where:
bonds (distance) C4'-P energy: -75.934
bonds (distance) P-C4' energy: -81.501
flat angles C4'-P-C4' energy: -66.487
flat angles P-C4'-P energy: -55.585
tors. eta vs tors. theta energy: 9.837
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: 9, replica: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -400.554517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.554517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.554517 (E_RNA)
where:
Base-Base interactions energy: -158.948
where: short stacking energy: -132.842
Base-Backbone interact. energy: 1.591
local terms energy: -243.198070
where:
bonds (distance) C4'-P energy: -69.562
bonds (distance) P-C4' energy: -76.275
flat angles C4'-P-C4' energy: -65.925
flat angles P-C4'-P energy: -32.190
tors. eta vs tors. theta energy: 0.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -354.186998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.186998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.186998 (E_RNA)
where:
Base-Base interactions energy: -105.639
where: short stacking energy: -100.918
Base-Backbone interact. energy: 3.425
local terms energy: -251.972552
where:
bonds (distance) C4'-P energy: -70.310
bonds (distance) P-C4' energy: -77.153
flat angles C4'-P-C4' energy: -67.513
flat angles P-C4'-P energy: -47.061
tors. eta vs tors. theta energy: 10.065
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1218.577867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.577867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.577867 (E_RNA)
where:
Base-Base interactions energy: -741.831
where: short stacking energy: -443.677
Base-Backbone interact. energy: -0.744
local terms energy: -476.002324
where:
bonds (distance) C4'-P energy: -80.787
bonds (distance) P-C4' energy: -92.424
flat angles C4'-P-C4' energy: -103.903
flat angles P-C4'-P energy: -66.763
tors. eta vs tors. theta energy: -132.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1108.548088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.548088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.548088 (E_RNA)
where:
Base-Base interactions energy: -661.380
where: short stacking energy: -378.480
Base-Backbone interact. energy: -0.308
local terms energy: -446.860085
where:
bonds (distance) C4'-P energy: -88.760
bonds (distance) P-C4' energy: -96.374
flat angles C4'-P-C4' energy: -88.672
flat angles P-C4'-P energy: -61.386
tors. eta vs tors. theta energy: -111.667
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: 3, replica: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -924.023799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.023799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.023799 (E_RNA)
where:
Base-Base interactions energy: -520.283
where: short stacking energy: -323.295
Base-Backbone interact. energy: -1.139
local terms energy: -402.601584
where:
bonds (distance) C4'-P energy: -93.509
bonds (distance) P-C4' energy: -95.078
flat angles C4'-P-C4' energy: -78.918
flat angles P-C4'-P energy: -62.108
tors. eta vs tors. theta energy: -72.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -814.090226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.090226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.090226 (E_RNA)
where:
Base-Base interactions energy: -423.174
where: short stacking energy: -285.751
Base-Backbone interact. energy: -0.805
local terms energy: -390.111019
where:
bonds (distance) C4'-P energy: -83.893
bonds (distance) P-C4' energy: -86.561
flat angles C4'-P-C4' energy: -96.016
flat angles P-C4'-P energy: -49.612
tors. eta vs tors. theta energy: -74.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -683.062259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.062259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.062259 (E_RNA)
where:
Base-Base interactions energy: -347.005
where: short stacking energy: -225.818
Base-Backbone interact. energy: 0.244
local terms energy: -336.301074
where:
bonds (distance) C4'-P energy: -75.455
bonds (distance) P-C4' energy: -99.156
flat angles C4'-P-C4' energy: -83.943
flat angles P-C4'-P energy: -46.172
tors. eta vs tors. theta energy: -31.574
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: 6, replica: 2
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -602.459916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.459916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.459916 (E_RNA)
where:
Base-Base interactions energy: -271.965
where: short stacking energy: -166.338
Base-Backbone interact. energy: -2.237
local terms energy: -328.257987
where:
bonds (distance) C4'-P energy: -85.739
bonds (distance) P-C4' energy: -96.944
flat angles C4'-P-C4' energy: -67.284
flat angles P-C4'-P energy: -47.454
tors. eta vs tors. theta energy: -30.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -513.740700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.740700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.740700 (E_RNA)
where:
Base-Base interactions energy: -212.791
where: short stacking energy: -162.330
Base-Backbone interact. energy: 5.826
local terms energy: -306.775345
where:
bonds (distance) C4'-P energy: -78.612
bonds (distance) P-C4' energy: -84.912
flat angles C4'-P-C4' energy: -71.001
flat angles P-C4'-P energy: -42.772
tors. eta vs tors. theta energy: -29.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -425.212871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.212871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.212871 (E_RNA)
where:
Base-Base interactions energy: -159.808
where: short stacking energy: -126.149
Base-Backbone interact. energy: -0.995
local terms energy: -264.410166
where:
bonds (distance) C4'-P energy: -83.967
bonds (distance) P-C4' energy: -84.483
flat angles C4'-P-C4' energy: -68.691
flat angles P-C4'-P energy: -31.116
tors. eta vs tors. theta energy: 3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -419.560373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.560373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.560373 (E_RNA)
where:
Base-Base interactions energy: -160.154
where: short stacking energy: -142.621
Base-Backbone interact. energy: 0.488
local terms energy: -259.894756
where:
bonds (distance) C4'-P energy: -78.042
bonds (distance) P-C4' energy: -74.551
flat angles C4'-P-C4' energy: -57.629
flat angles P-C4'-P energy: -44.635
tors. eta vs tors. theta energy: -5.037
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: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -343.322774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.322774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.322774 (E_RNA)
where:
Base-Base interactions energy: -101.973
where: short stacking energy: -97.194
Base-Backbone interact. energy: -2.640
local terms energy: -238.710169
where:
bonds (distance) C4'-P energy: -58.574
bonds (distance) P-C4' energy: -78.078
flat angles C4'-P-C4' energy: -61.672
flat angles P-C4'-P energy: -47.203
tors. eta vs tors. theta energy: 6.816
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1229.183403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.183403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.183403 (E_RNA)
where:
Base-Base interactions energy: -740.073
where: short stacking energy: -432.338
Base-Backbone interact. energy: -0.988
local terms energy: -488.122050
where:
bonds (distance) C4'-P energy: -87.161
bonds (distance) P-C4' energy: -90.928
flat angles C4'-P-C4' energy: -102.339
flat angles P-C4'-P energy: -67.804
tors. eta vs tors. theta energy: -139.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1044.295006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.295006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.295006 (E_RNA)
where:
Base-Base interactions energy: -601.677
where: short stacking energy: -351.812
Base-Backbone interact. energy: -1.525
local terms energy: -441.093532
where:
bonds (distance) C4'-P energy: -90.800
bonds (distance) P-C4' energy: -95.252
flat angles C4'-P-C4' energy: -98.041
flat angles P-C4'-P energy: -63.923
tors. eta vs tors. theta energy: -93.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -959.967025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.967025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.967025 (E_RNA)
where:
Base-Base interactions energy: -550.577
where: short stacking energy: -327.899
Base-Backbone interact. energy: -1.643
local terms energy: -407.747646
where:
bonds (distance) C4'-P energy: -90.969
bonds (distance) P-C4' energy: -88.236
flat angles C4'-P-C4' energy: -91.852
flat angles P-C4'-P energy: -62.277
tors. eta vs tors. theta energy: -74.413
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: 3
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -801.197426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.197426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.197426 (E_RNA)
where:
Base-Base interactions energy: -427.720
where: short stacking energy: -271.499
Base-Backbone interact. energy: -1.147
local terms energy: -372.331150
where:
bonds (distance) C4'-P energy: -89.802
bonds (distance) P-C4' energy: -82.167
flat angles C4'-P-C4' energy: -91.437
flat angles P-C4'-P energy: -48.412
tors. eta vs tors. theta energy: -60.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -675.869531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.869531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.869531 (E_RNA)
where:
Base-Base interactions energy: -324.132
where: short stacking energy: -241.489
Base-Backbone interact. energy: 0.669
local terms energy: -352.405815
where:
bonds (distance) C4'-P energy: -77.951
bonds (distance) P-C4' energy: -92.839
flat angles C4'-P-C4' energy: -82.599
flat angles P-C4'-P energy: -48.191
tors. eta vs tors. theta energy: -50.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -558.150045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.150045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.150045 (E_RNA)
where:
Base-Base interactions energy: -245.157
where: short stacking energy: -181.980
Base-Backbone interact. energy: -0.814
local terms energy: -312.179234
where:
bonds (distance) C4'-P energy: -71.345
bonds (distance) P-C4' energy: -89.162
flat angles C4'-P-C4' energy: -79.858
flat angles P-C4'-P energy: -41.162
tors. eta vs tors. theta energy: -30.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -552.809848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.809848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.809848 (E_RNA)
where:
Base-Base interactions energy: -238.004
where: short stacking energy: -154.352
Base-Backbone interact. energy: -1.985
local terms energy: -312.820685
where:
bonds (distance) C4'-P energy: -92.982
bonds (distance) P-C4' energy: -81.473
flat angles C4'-P-C4' energy: -73.517
flat angles P-C4'-P energy: -42.247
tors. eta vs tors. theta energy: -22.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -438.386567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.386567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.386567 (E_RNA)
where:
Base-Base interactions energy: -178.890
where: short stacking energy: -146.716
Base-Backbone interact. energy: -1.652
local terms energy: -257.844918
where:
bonds (distance) C4'-P energy: -74.665
bonds (distance) P-C4' energy: -72.549
flat angles C4'-P-C4' energy: -62.956
flat angles P-C4'-P energy: -41.029
tors. eta vs tors. theta energy: -6.646
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: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -375.522011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.522011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.522011 (E_RNA)
where:
Base-Base interactions energy: -103.511
where: short stacking energy: -79.165
Base-Backbone interact. energy: -0.509
local terms energy: -271.501492
where:
bonds (distance) C4'-P energy: -82.093
bonds (distance) P-C4' energy: -75.861
flat angles C4'-P-C4' energy: -76.620
flat angles P-C4'-P energy: -45.820
tors. eta vs tors. theta energy: 8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -365.227902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.227902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.227902 (E_RNA)
where:
Base-Base interactions energy: -105.658
where: short stacking energy: -94.698
Base-Backbone interact. energy: -2.537
local terms energy: -257.032131
where:
bonds (distance) C4'-P energy: -73.103
bonds (distance) P-C4' energy: -90.477
flat angles C4'-P-C4' energy: -70.867
flat angles P-C4'-P energy: -45.929
tors. eta vs tors. theta energy: 23.344
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1194.568116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.568116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.568116 (E_RNA)
where:
Base-Base interactions energy: -709.413
where: short stacking energy: -412.406
Base-Backbone interact. energy: -1.916
local terms energy: -483.239754
where:
bonds (distance) C4'-P energy: -97.035
bonds (distance) P-C4' energy: -95.086
flat angles C4'-P-C4' energy: -98.438
flat angles P-C4'-P energy: -74.163
tors. eta vs tors. theta energy: -118.517
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: 4
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1048.688971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.688971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.688971 (E_RNA)
where:
Base-Base interactions energy: -601.555
where: short stacking energy: -363.365
Base-Backbone interact. energy: -1.601
local terms energy: -445.533130
where:
bonds (distance) C4'-P energy: -85.453
bonds (distance) P-C4' energy: -97.328
flat angles C4'-P-C4' energy: -107.910
flat angles P-C4'-P energy: -47.093
tors. eta vs tors. theta energy: -107.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -937.856218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.856218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.856218 (E_RNA)
where:
Base-Base interactions energy: -515.145
where: short stacking energy: -325.276
Base-Backbone interact. energy: -0.815
local terms energy: -421.897010
where:
bonds (distance) C4'-P energy: -94.050
bonds (distance) P-C4' energy: -95.937
flat angles C4'-P-C4' energy: -96.083
flat angles P-C4'-P energy: -42.573
tors. eta vs tors. theta energy: -93.253
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: 4, replica: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -830.140628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.140628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.140628 (E_RNA)
where:
Base-Base interactions energy: -447.358
where: short stacking energy: -280.467
Base-Backbone interact. energy: -0.586
local terms energy: -382.196598
where:
bonds (distance) C4'-P energy: -86.162
bonds (distance) P-C4' energy: -92.711
flat angles C4'-P-C4' energy: -79.349
flat angles P-C4'-P energy: -54.657
tors. eta vs tors. theta energy: -69.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -637.309538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.309538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.309538 (E_RNA)
where:
Base-Base interactions energy: -283.993
where: short stacking energy: -182.181
Base-Backbone interact. energy: -1.622
local terms energy: -351.695137
where:
bonds (distance) C4'-P energy: -69.553
bonds (distance) P-C4' energy: -91.489
flat angles C4'-P-C4' energy: -98.540
flat angles P-C4'-P energy: -59.466
tors. eta vs tors. theta energy: -32.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -562.796659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.796659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.796659 (E_RNA)
where:
Base-Base interactions energy: -221.744
where: short stacking energy: -158.234
Base-Backbone interact. energy: -1.230
local terms energy: -339.823651
where:
bonds (distance) C4'-P energy: -89.570
bonds (distance) P-C4' energy: -94.367
flat angles C4'-P-C4' energy: -87.864
flat angles P-C4'-P energy: -54.341
tors. eta vs tors. theta energy: -13.682
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: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -497.386772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.386772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.386772 (E_RNA)
where:
Base-Base interactions energy: -214.572
where: short stacking energy: -172.272
Base-Backbone interact. energy: -1.700
local terms energy: -281.115474
where:
bonds (distance) C4'-P energy: -75.945
bonds (distance) P-C4' energy: -85.017
flat angles C4'-P-C4' energy: -72.286
flat angles P-C4'-P energy: -37.528
tors. eta vs tors. theta energy: -10.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -440.526996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.526996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.526996 (E_RNA)
where:
Base-Base interactions energy: -155.162
where: short stacking energy: -141.648
Base-Backbone interact. energy: -2.424
local terms energy: -282.941921
where:
bonds (distance) C4'-P energy: -83.478
bonds (distance) P-C4' energy: -90.939
flat angles C4'-P-C4' energy: -83.178
flat angles P-C4'-P energy: -37.275
tors. eta vs tors. theta energy: 11.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -372.313825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.313825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.313825 (E_RNA)
where:
Base-Base interactions energy: -103.961
where: short stacking energy: -95.912
Base-Backbone interact. energy: 3.760
local terms energy: -272.112355
where:
bonds (distance) C4'-P energy: -85.235
bonds (distance) P-C4' energy: -84.682
flat angles C4'-P-C4' energy: -75.375
flat angles P-C4'-P energy: -34.454
tors. eta vs tors. theta energy: 7.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -360.920363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.920363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.920363 (E_RNA)
where:
Base-Base interactions energy: -122.636
where: short stacking energy: -107.585
Base-Backbone interact. energy: 1.197
local terms energy: -239.481427
where:
bonds (distance) C4'-P energy: -62.222
bonds (distance) P-C4' energy: -82.617
flat angles C4'-P-C4' energy: -65.297
flat angles P-C4'-P energy: -32.130
tors. eta vs tors. theta energy: 2.785
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1225.900695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.900695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.900695 (E_RNA)
where:
Base-Base interactions energy: -734.621
where: short stacking energy: -439.806
Base-Backbone interact. energy: -0.530
local terms energy: -490.749016
where:
bonds (distance) C4'-P energy: -93.873
bonds (distance) P-C4' energy: -86.114
flat angles C4'-P-C4' energy: -104.776
flat angles P-C4'-P energy: -71.601
tors. eta vs tors. theta energy: -134.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1045.455403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.455403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.455403 (E_RNA)
where:
Base-Base interactions energy: -595.736
where: short stacking energy: -368.089
Base-Backbone interact. energy: -0.891
local terms energy: -448.827645
where:
bonds (distance) C4'-P energy: -90.636
bonds (distance) P-C4' energy: -96.920
flat angles C4'-P-C4' energy: -92.043
flat angles P-C4'-P energy: -64.856
tors. eta vs tors. theta energy: -104.373
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: 9
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -916.475781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.475781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.475781 (E_RNA)
where:
Base-Base interactions energy: -511.793
where: short stacking energy: -297.547
Base-Backbone interact. energy: 0.873
local terms energy: -405.556415
where:
bonds (distance) C4'-P energy: -77.774
bonds (distance) P-C4' energy: -94.088
flat angles C4'-P-C4' energy: -92.800
flat angles P-C4'-P energy: -68.307
tors. eta vs tors. theta energy: -72.586
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: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -816.800427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.800427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.800427 (E_RNA)
where:
Base-Base interactions energy: -430.097
where: short stacking energy: -282.080
Base-Backbone interact. energy: -0.755
local terms energy: -385.948229
where:
bonds (distance) C4'-P energy: -85.017
bonds (distance) P-C4' energy: -92.513
flat angles C4'-P-C4' energy: -78.464
flat angles P-C4'-P energy: -56.921
tors. eta vs tors. theta energy: -73.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -688.518364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.518364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.518364 (E_RNA)
where:
Base-Base interactions energy: -352.096
where: short stacking energy: -223.186
Base-Backbone interact. energy: 0.499
local terms energy: -336.921019
where:
bonds (distance) C4'-P energy: -74.642
bonds (distance) P-C4' energy: -89.231
flat angles C4'-P-C4' energy: -86.243
flat angles P-C4'-P energy: -46.761
tors. eta vs tors. theta energy: -40.045
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: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -591.781989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.781989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.781989 (E_RNA)
where:
Base-Base interactions energy: -283.187
where: short stacking energy: -188.036
Base-Backbone interact. energy: -3.016
local terms energy: -305.578537
where:
bonds (distance) C4'-P energy: -86.640
bonds (distance) P-C4' energy: -93.691
flat angles C4'-P-C4' energy: -65.601
flat angles P-C4'-P energy: -37.943
tors. eta vs tors. theta energy: -21.704
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: 7, replica: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -505.042516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.042516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.042516 (E_RNA)
where:
Base-Base interactions energy: -209.466
where: short stacking energy: -177.518
Base-Backbone interact. energy: 1.181
local terms energy: -296.758000
where:
bonds (distance) C4'-P energy: -68.430
bonds (distance) P-C4' energy: -93.183
flat angles C4'-P-C4' energy: -70.884
flat angles P-C4'-P energy: -43.741
tors. eta vs tors. theta energy: -20.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -428.760466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.760466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.760466 (E_RNA)
where:
Base-Base interactions energy: -149.238
where: short stacking energy: -138.483
Base-Backbone interact. energy: 1.982
local terms energy: -281.504499
where:
bonds (distance) C4'-P energy: -73.147
bonds (distance) P-C4' energy: -90.843
flat angles C4'-P-C4' energy: -61.344
flat angles P-C4'-P energy: -48.509
tors. eta vs tors. theta energy: -7.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -384.166354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.166354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.166354 (E_RNA)
where:
Base-Base interactions energy: -127.259
where: short stacking energy: -104.544
Base-Backbone interact. energy: -1.082
local terms energy: -255.825942
where:
bonds (distance) C4'-P energy: -78.869
bonds (distance) P-C4' energy: -89.556
flat angles C4'-P-C4' energy: -56.254
flat angles P-C4'-P energy: -34.651
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: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -337.671464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.671464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.671464 (E_RNA)
where:
Base-Base interactions energy: -120.362
where: short stacking energy: -103.355
Base-Backbone interact. energy: 1.622
local terms energy: -218.931031
where:
bonds (distance) C4'-P energy: -66.910
bonds (distance) P-C4' energy: -77.379
flat angles C4'-P-C4' energy: -58.949
flat angles P-C4'-P energy: -36.914
tors. eta vs tors. theta energy: 21.222
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1230.372038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.372038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.372038 (E_RNA)
where:
Base-Base interactions energy: -727.680
where: short stacking energy: -447.039
Base-Backbone interact. energy: -0.881
local terms energy: -501.811089
where:
bonds (distance) C4'-P energy: -85.482
bonds (distance) P-C4' energy: -101.467
flat angles C4'-P-C4' energy: -103.780
flat angles P-C4'-P energy: -66.307
tors. eta vs tors. theta energy: -144.775
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: 4
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1092.840399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.840399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.840399 (E_RNA)
where:
Base-Base interactions energy: -622.475
where: short stacking energy: -395.260
Base-Backbone interact. energy: -0.432
local terms energy: -469.933437
where:
bonds (distance) C4'-P energy: -93.226
bonds (distance) P-C4' energy: -95.856
flat angles C4'-P-C4' energy: -97.392
flat angles P-C4'-P energy: -67.078
tors. eta vs tors. theta energy: -116.382
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: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -884.599581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.599581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.599581 (E_RNA)
where:
Base-Base interactions energy: -453.222
where: short stacking energy: -300.456
Base-Backbone interact. energy: -0.089
local terms energy: -431.288899
where:
bonds (distance) C4'-P energy: -87.252
bonds (distance) P-C4' energy: -96.906
flat angles C4'-P-C4' energy: -103.215
flat angles P-C4'-P energy: -73.433
tors. eta vs tors. theta energy: -70.483
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: 9
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -808.299874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.299874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.299874 (E_RNA)
where:
Base-Base interactions energy: -431.762
where: short stacking energy: -263.467
Base-Backbone interact. energy: -1.910
local terms energy: -374.627105
where:
bonds (distance) C4'-P energy: -87.203
bonds (distance) P-C4' energy: -80.146
flat angles C4'-P-C4' energy: -94.484
flat angles P-C4'-P energy: -49.729
tors. eta vs tors. theta energy: -63.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -654.042308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.042308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.042308 (E_RNA)
where:
Base-Base interactions energy: -325.915
where: short stacking energy: -204.062
Base-Backbone interact. energy: 3.615
local terms energy: -331.742398
where:
bonds (distance) C4'-P energy: -85.934
bonds (distance) P-C4' energy: -86.171
flat angles C4'-P-C4' energy: -80.150
flat angles P-C4'-P energy: -38.599
tors. eta vs tors. theta energy: -40.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -606.188008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.188008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.188008 (E_RNA)
where:
Base-Base interactions energy: -282.577
where: short stacking energy: -169.766
Base-Backbone interact. energy: -0.687
local terms energy: -322.923721
where:
bonds (distance) C4'-P energy: -88.255
bonds (distance) P-C4' energy: -86.553
flat angles C4'-P-C4' energy: -89.981
flat angles P-C4'-P energy: -49.650
tors. eta vs tors. theta energy: -8.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -502.789253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.789253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.789253 (E_RNA)
where:
Base-Base interactions energy: -206.885
where: short stacking energy: -165.635
Base-Backbone interact. energy: 3.012
local terms energy: -298.916541
where:
bonds (distance) C4'-P energy: -69.830
bonds (distance) P-C4' energy: -88.147
flat angles C4'-P-C4' energy: -78.290
flat angles P-C4'-P energy: -47.049
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -447.388202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.388202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.388202 (E_RNA)
where:
Base-Base interactions energy: -176.117
where: short stacking energy: -121.234
Base-Backbone interact. energy: -0.735
local terms energy: -270.536248
where:
bonds (distance) C4'-P energy: -87.098
bonds (distance) P-C4' energy: -79.347
flat angles C4'-P-C4' energy: -63.061
flat angles P-C4'-P energy: -43.675
tors. eta vs tors. theta energy: 2.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -399.775611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.775611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.775611 (E_RNA)
where:
Base-Base interactions energy: -135.818
where: short stacking energy: -108.247
Base-Backbone interact. energy: -1.923
local terms energy: -262.034388
where:
bonds (distance) C4'-P energy: -75.643
bonds (distance) P-C4' energy: -81.351
flat angles C4'-P-C4' energy: -66.002
flat angles P-C4'-P energy: -44.775
tors. eta vs tors. theta energy: 5.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -367.904297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.904297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.904297 (E_RNA)
where:
Base-Base interactions energy: -117.597
where: short stacking energy: -90.373
Base-Backbone interact. energy: -0.991
local terms energy: -249.316178
where:
bonds (distance) C4'-P energy: -73.672
bonds (distance) P-C4' energy: -84.187
flat angles C4'-P-C4' energy: -75.666
flat angles P-C4'-P energy: -38.438
tors. eta vs tors. theta energy: 22.647
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1239.124151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.124151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.124151 (E_RNA)
where:
Base-Base interactions energy: -738.249
where: short stacking energy: -436.876
Base-Backbone interact. energy: -0.438
local terms energy: -500.437123
where:
bonds (distance) C4'-P energy: -92.989
bonds (distance) P-C4' energy: -92.382
flat angles C4'-P-C4' energy: -106.385
flat angles P-C4'-P energy: -69.463
tors. eta vs tors. theta energy: -139.218
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: 401
Temperature: 0.950000
Total energy: -1075.055962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.055962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.055962 (E_RNA)
where:
Base-Base interactions energy: -623.971
where: short stacking energy: -384.029
Base-Backbone interact. energy: 0.627
local terms energy: -451.711567
where:
bonds (distance) C4'-P energy: -80.338
bonds (distance) P-C4' energy: -91.561
flat angles C4'-P-C4' energy: -88.210
flat angles P-C4'-P energy: -73.587
tors. eta vs tors. theta energy: -118.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -888.091562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.091562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.091562 (E_RNA)
where:
Base-Base interactions energy: -472.554
where: short stacking energy: -297.331
Base-Backbone interact. energy: -1.980
local terms energy: -413.557715
where:
bonds (distance) C4'-P energy: -89.670
bonds (distance) P-C4' energy: -83.819
flat angles C4'-P-C4' energy: -99.025
flat angles P-C4'-P energy: -56.464
tors. eta vs tors. theta energy: -84.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -826.133963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.133963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.133963 (E_RNA)
where:
Base-Base interactions energy: -445.824
where: short stacking energy: -283.821
Base-Backbone interact. energy: 0.385
local terms energy: -380.694693
where:
bonds (distance) C4'-P energy: -69.668
bonds (distance) P-C4' energy: -83.417
flat angles C4'-P-C4' energy: -96.096
flat angles P-C4'-P energy: -57.733
tors. eta vs tors. theta energy: -73.781
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: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -665.329553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.329553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.329553 (E_RNA)
where:
Base-Base interactions energy: -332.134
where: short stacking energy: -220.600
Base-Backbone interact. energy: -0.178
local terms energy: -333.017972
where:
bonds (distance) C4'-P energy: -78.095
bonds (distance) P-C4' energy: -82.401
flat angles C4'-P-C4' energy: -92.676
flat angles P-C4'-P energy: -45.431
tors. eta vs tors. theta energy: -34.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -609.072817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.072817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.072817 (E_RNA)
where:
Base-Base interactions energy: -295.796
where: short stacking energy: -202.146
Base-Backbone interact. energy: 2.568
local terms energy: -315.844603
where:
bonds (distance) C4'-P energy: -63.756
bonds (distance) P-C4' energy: -88.363
flat angles C4'-P-C4' energy: -91.164
flat angles P-C4'-P energy: -40.990
tors. eta vs tors. theta energy: -31.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -503.715491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.715491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.715491 (E_RNA)
where:
Base-Base interactions energy: -226.251
where: short stacking energy: -165.329
Base-Backbone interact. energy: -0.202
local terms energy: -277.263120
where:
bonds (distance) C4'-P energy: -72.759
bonds (distance) P-C4' energy: -86.719
flat angles C4'-P-C4' energy: -75.940
flat angles P-C4'-P energy: -42.316
tors. eta vs tors. theta energy: 0.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -393.980271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.980271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.980271 (E_RNA)
where:
Base-Base interactions energy: -119.788
where: short stacking energy: -111.431
Base-Backbone interact. energy: 0.693
local terms energy: -274.884937
where:
bonds (distance) C4'-P energy: -82.077
bonds (distance) P-C4' energy: -88.367
flat angles C4'-P-C4' energy: -69.023
flat angles P-C4'-P energy: -46.941
tors. eta vs tors. theta energy: 11.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -386.168509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.168509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.168509 (E_RNA)
where:
Base-Base interactions energy: -146.267
where: short stacking energy: -105.422
Base-Backbone interact. energy: -1.939
local terms energy: -237.963017
where:
bonds (distance) C4'-P energy: -89.984
bonds (distance) P-C4' energy: -68.581
flat angles C4'-P-C4' energy: -62.828
flat angles P-C4'-P energy: -42.404
tors. eta vs tors. theta energy: 25.833
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: 10, replica: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -366.267299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.267299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.267299 (E_RNA)
where:
Base-Base interactions energy: -144.107
where: short stacking energy: -119.461
Base-Backbone interact. energy: 3.000
local terms energy: -225.160207
where:
bonds (distance) C4'-P energy: -69.646
bonds (distance) P-C4' energy: -84.412
flat angles C4'-P-C4' energy: -49.970
flat angles P-C4'-P energy: -30.257
tors. eta vs tors. theta energy: 9.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1236.014107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.014107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.014107 (E_RNA)
where:
Base-Base interactions energy: -732.985
where: short stacking energy: -428.386
Base-Backbone interact. energy: -1.827
local terms energy: -501.201951
where:
bonds (distance) C4'-P energy: -93.273
bonds (distance) P-C4' energy: -89.832
flat angles C4'-P-C4' energy: -106.913
flat angles P-C4'-P energy: -73.212
tors. eta vs tors. theta energy: -137.973
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: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1066.360075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.360075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.360075 (E_RNA)
where:
Base-Base interactions energy: -614.604
where: short stacking energy: -352.202
Base-Backbone interact. energy: -0.216
local terms energy: -451.540165
where:
bonds (distance) C4'-P energy: -89.844
bonds (distance) P-C4' energy: -94.714
flat angles C4'-P-C4' energy: -93.083
flat angles P-C4'-P energy: -71.855
tors. eta vs tors. theta energy: -102.045
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: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -896.676425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.676425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.676425 (E_RNA)
where:
Base-Base interactions energy: -502.717
where: short stacking energy: -329.372
Base-Backbone interact. energy: 8.052
local terms energy: -402.011035
where:
bonds (distance) C4'-P energy: -78.843
bonds (distance) P-C4' energy: -82.643
flat angles C4'-P-C4' energy: -91.708
flat angles P-C4'-P energy: -64.610
tors. eta vs tors. theta energy: -84.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -865.789788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.789788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.789788 (E_RNA)
where:
Base-Base interactions energy: -446.754
where: short stacking energy: -269.839
Base-Backbone interact. energy: -3.384
local terms energy: -415.651868
where:
bonds (distance) C4'-P energy: -95.650
bonds (distance) P-C4' energy: -98.381
flat angles C4'-P-C4' energy: -88.411
flat angles P-C4'-P energy: -62.627
tors. eta vs tors. theta energy: -70.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -705.585398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.585398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.585398 (E_RNA)
where:
Base-Base interactions energy: -368.299
where: short stacking energy: -237.719
Base-Backbone interact. energy: -1.359
local terms energy: -335.927506
where:
bonds (distance) C4'-P energy: -85.545
bonds (distance) P-C4' energy: -84.916
flat angles C4'-P-C4' energy: -78.295
flat angles P-C4'-P energy: -49.481
tors. eta vs tors. theta energy: -37.690
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: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -604.148211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.148211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.148211 (E_RNA)
where:
Base-Base interactions energy: -262.959
where: short stacking energy: -187.207
Base-Backbone interact. energy: -0.065
local terms energy: -341.124230
where:
bonds (distance) C4'-P energy: -75.204
bonds (distance) P-C4' energy: -88.183
flat angles C4'-P-C4' energy: -93.696
flat angles P-C4'-P energy: -52.445
tors. eta vs tors. theta energy: -31.595
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: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -448.825330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.825330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.825330 (E_RNA)
where:
Base-Base interactions energy: -168.321
where: short stacking energy: -129.441
Base-Backbone interact. energy: 0.278
local terms energy: -280.782995
where:
bonds (distance) C4'-P energy: -89.146
bonds (distance) P-C4' energy: -84.244
flat angles C4'-P-C4' energy: -55.073
flat angles P-C4'-P energy: -58.333
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: 402
Temperature: 1.250000
Total energy: -422.499134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.499134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.499134 (E_RNA)
where:
Base-Base interactions energy: -159.740
where: short stacking energy: -118.693
Base-Backbone interact. energy: -0.792
local terms energy: -261.966806
where:
bonds (distance) C4'-P energy: -76.946
bonds (distance) P-C4' energy: -90.908
flat angles C4'-P-C4' energy: -71.212
flat angles P-C4'-P energy: -32.377
tors. eta vs tors. theta energy: 9.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -411.499157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.499157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.499157 (E_RNA)
where:
Base-Base interactions energy: -153.856
where: short stacking energy: -116.340
Base-Backbone interact. energy: 3.563
local terms energy: -261.205516
where:
bonds (distance) C4'-P energy: -84.282
bonds (distance) P-C4' energy: -77.534
flat angles C4'-P-C4' energy: -71.046
flat angles P-C4'-P energy: -35.947
tors. eta vs tors. theta energy: 7.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -342.871576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.871576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.871576 (E_RNA)
where:
Base-Base interactions energy: -120.143
where: short stacking energy: -117.631
Base-Backbone interact. energy: 2.444
local terms energy: -225.171736
where:
bonds (distance) C4'-P energy: -71.065
bonds (distance) P-C4' energy: -75.190
flat angles C4'-P-C4' energy: -68.524
flat angles P-C4'-P energy: -36.737
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1250.834488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.834488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.834488 (E_RNA)
where:
Base-Base interactions energy: -747.367
where: short stacking energy: -431.143
Base-Backbone interact. energy: -0.441
local terms energy: -503.026562
where:
bonds (distance) C4'-P energy: -100.307
bonds (distance) P-C4' energy: -86.525
flat angles C4'-P-C4' energy: -108.216
flat angles P-C4'-P energy: -67.222
tors. eta vs tors. theta energy: -140.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1063.368865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.368865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.368865 (E_RNA)
where:
Base-Base interactions energy: -623.378
where: short stacking energy: -386.042
Base-Backbone interact. energy: -0.600
local terms energy: -439.391449
where:
bonds (distance) C4'-P energy: -76.616
bonds (distance) P-C4' energy: -102.118
flat angles C4'-P-C4' energy: -87.868
flat angles P-C4'-P energy: -58.906
tors. eta vs tors. theta energy: -113.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -902.782950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.782950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.782950 (E_RNA)
where:
Base-Base interactions energy: -477.616
where: short stacking energy: -314.373
Base-Backbone interact. energy: -0.385
local terms energy: -424.782602
where:
bonds (distance) C4'-P energy: -89.663
bonds (distance) P-C4' energy: -94.240
flat angles C4'-P-C4' energy: -92.109
flat angles P-C4'-P energy: -64.772
tors. eta vs tors. theta energy: -83.999
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: 4, replica: 9
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -857.813314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.813314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.813314 (E_RNA)
where:
Base-Base interactions energy: -458.367
where: short stacking energy: -300.097
Base-Backbone interact. energy: -1.880
local terms energy: -397.566418
where:
bonds (distance) C4'-P energy: -86.462
bonds (distance) P-C4' energy: -92.513
flat angles C4'-P-C4' energy: -81.445
flat angles P-C4'-P energy: -56.189
tors. eta vs tors. theta energy: -80.957
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: 5, replica: 5
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -713.416642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.416642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.416642 (E_RNA)
where:
Base-Base interactions energy: -352.615
where: short stacking energy: -249.312
Base-Backbone interact. energy: -0.395
local terms energy: -360.407216
where:
bonds (distance) C4'-P energy: -84.931
bonds (distance) P-C4' energy: -77.411
flat angles C4'-P-C4' energy: -85.371
flat angles P-C4'-P energy: -61.973
tors. eta vs tors. theta energy: -50.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -592.891442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.891442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.891442 (E_RNA)
where:
Base-Base interactions energy: -283.754
where: short stacking energy: -195.545
Base-Backbone interact. energy: -0.227
local terms energy: -308.910119
where:
bonds (distance) C4'-P energy: -74.137
bonds (distance) P-C4' energy: -74.299
flat angles C4'-P-C4' energy: -85.623
flat angles P-C4'-P energy: -55.697
tors. eta vs tors. theta energy: -19.155
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: 7, replica: 2
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -451.290923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.290923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.290923 (E_RNA)
where:
Base-Base interactions energy: -159.612
where: short stacking energy: -133.637
Base-Backbone interact. energy: 1.208
local terms energy: -292.886791
where:
bonds (distance) C4'-P energy: -69.253
bonds (distance) P-C4' energy: -94.341
flat angles C4'-P-C4' energy: -83.116
flat angles P-C4'-P energy: -52.022
tors. eta vs tors. theta energy: 5.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -434.050576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.050576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.050576 (E_RNA)
where:
Base-Base interactions energy: -147.398
where: short stacking energy: -121.224
Base-Backbone interact. energy: -0.789
local terms energy: -285.863850
where:
bonds (distance) C4'-P energy: -90.201
bonds (distance) P-C4' energy: -83.099
flat angles C4'-P-C4' energy: -65.560
flat angles P-C4'-P energy: -50.725
tors. eta vs tors. theta energy: 3.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -387.387335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.387335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.387335 (E_RNA)
where:
Base-Base interactions energy: -128.430
where: short stacking energy: -121.499
Base-Backbone interact. energy: 1.835
local terms energy: -260.791720
where:
bonds (distance) C4'-P energy: -70.358
bonds (distance) P-C4' energy: -86.098
flat angles C4'-P-C4' energy: -79.105
flat angles P-C4'-P energy: -30.257
tors. eta vs tors. theta energy: 5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -347.718065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.718065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.718065 (E_RNA)
where:
Base-Base interactions energy: -134.222
where: short stacking energy: -117.170
Base-Backbone interact. energy: 0.182
local terms energy: -213.678123
where:
bonds (distance) C4'-P energy: -73.879
bonds (distance) P-C4' energy: -64.255
flat angles C4'-P-C4' energy: -49.798
flat angles P-C4'-P energy: -26.897
tors. eta vs tors. theta energy: 1.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1231.201730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.201730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.201730 (E_RNA)
where:
Base-Base interactions energy: -722.337
where: short stacking energy: -447.869
Base-Backbone interact. energy: -1.022
local terms energy: -507.843044
where:
bonds (distance) C4'-P energy: -95.180
bonds (distance) P-C4' energy: -98.580
flat angles C4'-P-C4' energy: -107.635
flat angles P-C4'-P energy: -68.831
tors. eta vs tors. theta energy: -137.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1061.872047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.872047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.872047 (E_RNA)
where:
Base-Base interactions energy: -606.809
where: short stacking energy: -358.767
Base-Backbone interact. energy: -1.264
local terms energy: -453.799447
where:
bonds (distance) C4'-P energy: -88.433
bonds (distance) P-C4' energy: -94.730
flat angles C4'-P-C4' energy: -99.908
flat angles P-C4'-P energy: -70.655
tors. eta vs tors. theta energy: -100.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -885.008367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.008367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.008367 (E_RNA)
where:
Base-Base interactions energy: -470.686
where: short stacking energy: -308.860
Base-Backbone interact. energy: -0.681
local terms energy: -413.640658
where:
bonds (distance) C4'-P energy: -90.540
bonds (distance) P-C4' energy: -85.861
flat angles C4'-P-C4' energy: -93.003
flat angles P-C4'-P energy: -63.228
tors. eta vs tors. theta energy: -81.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -867.899316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.899316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.899316 (E_RNA)
where:
Base-Base interactions energy: -471.611
where: short stacking energy: -269.160
Base-Backbone interact. energy: -1.271
local terms energy: -395.018114
where:
bonds (distance) C4'-P energy: -92.670
bonds (distance) P-C4' energy: -84.825
flat angles C4'-P-C4' energy: -82.568
flat angles P-C4'-P energy: -62.737
tors. eta vs tors. theta energy: -72.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -649.668980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.668980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.668980 (E_RNA)
where:
Base-Base interactions energy: -306.281
where: short stacking energy: -216.410
Base-Backbone interact. energy: -1.094
local terms energy: -342.294119
where:
bonds (distance) C4'-P energy: -81.658
bonds (distance) P-C4' energy: -85.089
flat angles C4'-P-C4' energy: -79.699
flat angles P-C4'-P energy: -46.333
tors. eta vs tors. theta energy: -49.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -561.416318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.416318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.416318 (E_RNA)
where:
Base-Base interactions energy: -254.964
where: short stacking energy: -182.209
Base-Backbone interact. energy: 2.282
local terms energy: -308.735103
where:
bonds (distance) C4'-P energy: -73.500
bonds (distance) P-C4' energy: -91.197
flat angles C4'-P-C4' energy: -78.642
flat angles P-C4'-P energy: -55.733
tors. eta vs tors. theta energy: -9.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -501.122090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.122090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.122090 (E_RNA)
where:
Base-Base interactions energy: -199.071
where: short stacking energy: -180.249
Base-Backbone interact. energy: -2.538
local terms energy: -299.513039
where:
bonds (distance) C4'-P energy: -81.327
bonds (distance) P-C4' energy: -89.577
flat angles C4'-P-C4' energy: -62.853
flat angles P-C4'-P energy: -39.108
tors. eta vs tors. theta energy: -26.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -428.338986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.338986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.338986 (E_RNA)
where:
Base-Base interactions energy: -163.266
where: short stacking energy: -127.148
Base-Backbone interact. energy: -1.368
local terms energy: -263.704951
where:
bonds (distance) C4'-P energy: -59.523
bonds (distance) P-C4' energy: -86.481
flat angles C4'-P-C4' energy: -77.656
flat angles P-C4'-P energy: -40.429
tors. eta vs tors. theta energy: 0.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -378.955187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.955187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.955187 (E_RNA)
where:
Base-Base interactions energy: -133.080
where: short stacking energy: -120.810
Base-Backbone interact. energy: -1.056
local terms energy: -244.818788
where:
bonds (distance) C4'-P energy: -72.261
bonds (distance) P-C4' energy: -75.182
flat angles C4'-P-C4' energy: -61.326
flat angles P-C4'-P energy: -37.826
tors. eta vs tors. theta energy: 1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -358.070940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.070940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.070940 (E_RNA)
where:
Base-Base interactions energy: -107.116
where: short stacking energy: -90.328
Base-Backbone interact. energy: 1.558
local terms energy: -252.512597
where:
bonds (distance) C4'-P energy: -71.775
bonds (distance) P-C4' energy: -78.518
flat angles C4'-P-C4' energy: -64.807
flat angles P-C4'-P energy: -44.676
tors. eta vs tors. theta energy: 7.264
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1199.577276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.577276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.577276 (E_RNA)
where:
Base-Base interactions energy: -716.092
where: short stacking energy: -411.176
Base-Backbone interact. energy: -0.829
local terms energy: -482.655871
where:
bonds (distance) C4'-P energy: -94.431
bonds (distance) P-C4' energy: -94.652
flat angles C4'-P-C4' energy: -108.295
flat angles P-C4'-P energy: -58.713
tors. eta vs tors. theta energy: -126.565
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: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1071.851345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.851345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.851345 (E_RNA)
where:
Base-Base interactions energy: -610.256
where: short stacking energy: -371.285
Base-Backbone interact. energy: 0.452
local terms energy: -462.047942
where:
bonds (distance) C4'-P energy: -100.777
bonds (distance) P-C4' energy: -85.202
flat angles C4'-P-C4' energy: -96.938
flat angles P-C4'-P energy: -69.412
tors. eta vs tors. theta energy: -109.719
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: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -873.590752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.590752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.590752 (E_RNA)
where:
Base-Base interactions energy: -454.485
where: short stacking energy: -317.585
Base-Backbone interact. energy: -1.100
local terms energy: -418.005834
where:
bonds (distance) C4'-P energy: -87.350
bonds (distance) P-C4' energy: -96.698
flat angles C4'-P-C4' energy: -96.119
flat angles P-C4'-P energy: -62.542
tors. eta vs tors. theta energy: -75.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -877.288939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.288939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.288939 (E_RNA)
where:
Base-Base interactions energy: -467.535
where: short stacking energy: -283.326
Base-Backbone interact. energy: -2.798
local terms energy: -406.956423
where:
bonds (distance) C4'-P energy: -86.852
bonds (distance) P-C4' energy: -88.078
flat angles C4'-P-C4' energy: -93.959
flat angles P-C4'-P energy: -66.983
tors. eta vs tors. theta energy: -71.085
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: 5, replica: 5
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -655.518673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.518673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.518673 (E_RNA)
where:
Base-Base interactions energy: -314.691
where: short stacking energy: -205.228
Base-Backbone interact. energy: -1.299
local terms energy: -339.528704
where:
bonds (distance) C4'-P energy: -89.607
bonds (distance) P-C4' energy: -88.155
flat angles C4'-P-C4' energy: -80.200
flat angles P-C4'-P energy: -45.676
tors. eta vs tors. theta energy: -35.891
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: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -550.112915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.112915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.112915 (E_RNA)
where:
Base-Base interactions energy: -238.024
where: short stacking energy: -186.065
Base-Backbone interact. energy: -0.750
local terms energy: -311.338502
where:
bonds (distance) C4'-P energy: -82.489
bonds (distance) P-C4' energy: -76.564
flat angles C4'-P-C4' energy: -68.207
flat angles P-C4'-P energy: -50.740
tors. eta vs tors. theta energy: -33.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -439.603921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.603921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.603921 (E_RNA)
where:
Base-Base interactions energy: -150.216
where: short stacking energy: -138.540
Base-Backbone interact. energy: 4.325
local terms energy: -293.712180
where:
bonds (distance) C4'-P energy: -75.034
bonds (distance) P-C4' energy: -83.664
flat angles C4'-P-C4' energy: -78.100
flat angles P-C4'-P energy: -44.221
tors. eta vs tors. theta energy: -12.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -414.291783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.291783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.291783 (E_RNA)
where:
Base-Base interactions energy: -166.351
where: short stacking energy: -135.629
Base-Backbone interact. energy: -0.849
local terms energy: -247.091671
where:
bonds (distance) C4'-P energy: -83.729
bonds (distance) P-C4' energy: -57.530
flat angles C4'-P-C4' energy: -64.828
flat angles P-C4'-P energy: -41.681
tors. eta vs tors. theta energy: 0.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -394.954678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.954678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.954678 (E_RNA)
where:
Base-Base interactions energy: -137.007
where: short stacking energy: -104.499
Base-Backbone interact. energy: -1.381
local terms energy: -256.567555
where:
bonds (distance) C4'-P energy: -76.193
bonds (distance) P-C4' energy: -80.880
flat angles C4'-P-C4' energy: -66.152
flat angles P-C4'-P energy: -39.886
tors. eta vs tors. theta energy: 6.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -358.388460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.388460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.388460 (E_RNA)
where:
Base-Base interactions energy: -110.808
where: short stacking energy: -95.166
Base-Backbone interact. energy: -1.355
local terms energy: -246.224978
where:
bonds (distance) C4'-P energy: -63.917
bonds (distance) P-C4' energy: -71.884
flat angles C4'-P-C4' energy: -67.533
flat angles P-C4'-P energy: -41.530
tors. eta vs tors. theta energy: -1.361
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1167.249271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.249271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.249271 (E_RNA)
where:
Base-Base interactions energy: -682.920
where: short stacking energy: -397.324
Base-Backbone interact. energy: 0.544
local terms energy: -484.873541
where:
bonds (distance) C4'-P energy: -94.803
bonds (distance) P-C4' energy: -99.845
flat angles C4'-P-C4' energy: -107.191
flat angles P-C4'-P energy: -65.906
tors. eta vs tors. theta energy: -117.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1070.553477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.553477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.553477 (E_RNA)
where:
Base-Base interactions energy: -632.585
where: short stacking energy: -354.930
Base-Backbone interact. energy: -1.128
local terms energy: -436.840750
where:
bonds (distance) C4'-P energy: -81.652
bonds (distance) P-C4' energy: -102.725
flat angles C4'-P-C4' energy: -103.467
flat angles P-C4'-P energy: -53.339
tors. eta vs tors. theta energy: -95.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -911.850710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.850710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.850710 (E_RNA)
where:
Base-Base interactions energy: -504.753
where: short stacking energy: -304.819
Base-Backbone interact. energy: -0.569
local terms energy: -406.528941
where:
bonds (distance) C4'-P energy: -84.358
bonds (distance) P-C4' energy: -94.451
flat angles C4'-P-C4' energy: -88.850
flat angles P-C4'-P energy: -61.743
tors. eta vs tors. theta energy: -77.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -852.551174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.551174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.551174 (E_RNA)
where:
Base-Base interactions energy: -454.909
where: short stacking energy: -290.322
Base-Backbone interact. energy: 0.713
local terms energy: -398.355912
where:
bonds (distance) C4'-P energy: -87.477
bonds (distance) P-C4' energy: -88.211
flat angles C4'-P-C4' energy: -89.200
flat angles P-C4'-P energy: -60.426
tors. eta vs tors. theta energy: -73.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -726.231381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.231381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.231381 (E_RNA)
where:
Base-Base interactions energy: -371.397
where: short stacking energy: -239.814
Base-Backbone interact. energy: -0.196
local terms energy: -354.639062
where:
bonds (distance) C4'-P energy: -80.115
bonds (distance) P-C4' energy: -80.387
flat angles C4'-P-C4' energy: -77.710
flat angles P-C4'-P energy: -48.626
tors. eta vs tors. theta energy: -67.802
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: 406
Temperature: 1.150000
Total energy: -557.690054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.690054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.690054 (E_RNA)
where:
Base-Base interactions energy: -239.176
where: short stacking energy: -177.148
Base-Backbone interact. energy: 1.250
local terms energy: -319.764052
where:
bonds (distance) C4'-P energy: -78.911
bonds (distance) P-C4' energy: -96.665
flat angles C4'-P-C4' energy: -65.062
flat angles P-C4'-P energy: -57.493
tors. eta vs tors. theta energy: -21.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -477.267188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.267188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.267188 (E_RNA)
where:
Base-Base interactions energy: -172.747
where: short stacking energy: -154.929
Base-Backbone interact. energy: -0.072
local terms energy: -304.448551
where:
bonds (distance) C4'-P energy: -83.633
bonds (distance) P-C4' energy: -91.025
flat angles C4'-P-C4' energy: -71.977
flat angles P-C4'-P energy: -37.997
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: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -425.295510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.295510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.295510 (E_RNA)
where:
Base-Base interactions energy: -123.730
where: short stacking energy: -114.755
Base-Backbone interact. energy: 3.488
local terms energy: -305.053770
where:
bonds (distance) C4'-P energy: -81.469
bonds (distance) P-C4' energy: -90.575
flat angles C4'-P-C4' energy: -67.752
flat angles P-C4'-P energy: -62.788
tors. eta vs tors. theta energy: -2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -414.569352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.569352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.569352 (E_RNA)
where:
Base-Base interactions energy: -155.809
where: short stacking energy: -124.734
Base-Backbone interact. energy: -0.797
local terms energy: -257.963738
where:
bonds (distance) C4'-P energy: -76.430
bonds (distance) P-C4' energy: -91.640
flat angles C4'-P-C4' energy: -55.764
flat angles P-C4'-P energy: -26.521
tors. eta vs tors. theta energy: -7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -350.382836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.382836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.382836 (E_RNA)
where:
Base-Base interactions energy: -112.078
where: short stacking energy: -102.010
Base-Backbone interact. energy: 3.136
local terms energy: -241.440280
where:
bonds (distance) C4'-P energy: -77.738
bonds (distance) P-C4' energy: -75.517
flat angles C4'-P-C4' energy: -54.000
flat angles P-C4'-P energy: -41.951
tors. eta vs tors. theta energy: 7.765
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1174.245077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.245077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.245077 (E_RNA)
where:
Base-Base interactions energy: -697.674
where: short stacking energy: -407.103
Base-Backbone interact. energy: -1.703
local terms energy: -474.868808
where:
bonds (distance) C4'-P energy: -99.242
bonds (distance) P-C4' energy: -86.294
flat angles C4'-P-C4' energy: -95.020
flat angles P-C4'-P energy: -71.421
tors. eta vs tors. theta energy: -122.893
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: 407
Temperature: 0.950000
Total energy: -1105.646215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.646215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.646215 (E_RNA)
where:
Base-Base interactions energy: -635.136
where: short stacking energy: -403.646
Base-Backbone interact. energy: -0.974
local terms energy: -469.535477
where:
bonds (distance) C4'-P energy: -85.005
bonds (distance) P-C4' energy: -92.713
flat angles C4'-P-C4' energy: -99.830
flat angles P-C4'-P energy: -66.658
tors. eta vs tors. theta energy: -125.329
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: 9
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -913.276267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.276267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.276267 (E_RNA)
where:
Base-Base interactions energy: -489.144
where: short stacking energy: -301.617
Base-Backbone interact. energy: -1.656
local terms energy: -422.476398
where:
bonds (distance) C4'-P energy: -100.698
bonds (distance) P-C4' energy: -88.230
flat angles C4'-P-C4' energy: -92.742
flat angles P-C4'-P energy: -57.360
tors. eta vs tors. theta energy: -83.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -800.395440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.395440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.395440 (E_RNA)
where:
Base-Base interactions energy: -428.227
where: short stacking energy: -274.983
Base-Backbone interact. energy: -1.033
local terms energy: -371.135180
where:
bonds (distance) C4'-P energy: -81.938
bonds (distance) P-C4' energy: -88.405
flat angles C4'-P-C4' energy: -96.275
flat angles P-C4'-P energy: -46.379
tors. eta vs tors. theta energy: -58.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -673.825940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.825940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.825940 (E_RNA)
where:
Base-Base interactions energy: -337.566
where: short stacking energy: -232.085
Base-Backbone interact. energy: 1.000
local terms energy: -337.260137
where:
bonds (distance) C4'-P energy: -87.468
bonds (distance) P-C4' energy: -74.252
flat angles C4'-P-C4' energy: -80.836
flat angles P-C4'-P energy: -40.649
tors. eta vs tors. theta energy: -54.053
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: 6, replica: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -535.294572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.294572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.294572 (E_RNA)
where:
Base-Base interactions energy: -217.263
where: short stacking energy: -156.683
Base-Backbone interact. energy: -0.710
local terms energy: -317.321124
where:
bonds (distance) C4'-P energy: -89.259
bonds (distance) P-C4' energy: -91.366
flat angles C4'-P-C4' energy: -75.416
flat angles P-C4'-P energy: -44.707
tors. eta vs tors. theta energy: -16.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -485.133357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.133357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.133357 (E_RNA)
where:
Base-Base interactions energy: -186.963
where: short stacking energy: -154.846
Base-Backbone interact. energy: 1.810
local terms energy: -299.979637
where:
bonds (distance) C4'-P energy: -83.409
bonds (distance) P-C4' energy: -81.763
flat angles C4'-P-C4' energy: -66.608
flat angles P-C4'-P energy: -48.558
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: 8, replica: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -426.354996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.354996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.354996 (E_RNA)
where:
Base-Base interactions energy: -151.908
where: short stacking energy: -131.635
Base-Backbone interact. energy: -2.064
local terms energy: -272.382832
where:
bonds (distance) C4'-P energy: -75.205
bonds (distance) P-C4' energy: -86.561
flat angles C4'-P-C4' energy: -71.420
flat angles P-C4'-P energy: -40.040
tors. eta vs tors. theta energy: 0.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -397.769858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.769858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.769858 (E_RNA)
where:
Base-Base interactions energy: -146.839
where: short stacking energy: -124.367
Base-Backbone interact. energy: -2.571
local terms energy: -248.359869
where:
bonds (distance) C4'-P energy: -78.830
bonds (distance) P-C4' energy: -75.355
flat angles C4'-P-C4' energy: -59.232
flat angles P-C4'-P energy: -33.770
tors. eta vs tors. theta energy: -1.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -363.449369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.449369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.449369 (E_RNA)
where:
Base-Base interactions energy: -120.750
where: short stacking energy: -109.811
Base-Backbone interact. energy: -0.027
local terms energy: -242.671754
where:
bonds (distance) C4'-P energy: -78.284
bonds (distance) P-C4' energy: -75.109
flat angles C4'-P-C4' energy: -72.939
flat angles P-C4'-P energy: -22.767
tors. eta vs tors. theta energy: 6.427
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1180.408533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.408533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.408533 (E_RNA)
where:
Base-Base interactions energy: -698.475
where: short stacking energy: -397.860
Base-Backbone interact. energy: 0.096
local terms energy: -482.029057
where:
bonds (distance) C4'-P energy: -89.104
bonds (distance) P-C4' energy: -107.079
flat angles C4'-P-C4' energy: -98.924
flat angles P-C4'-P energy: -70.021
tors. eta vs tors. theta energy: -116.902
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: 408
Temperature: 0.950000
Total energy: -1106.839545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.839545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.839545 (E_RNA)
where:
Base-Base interactions energy: -627.553
where: short stacking energy: -405.023
Base-Backbone interact. energy: 0.652
local terms energy: -479.938979
where:
bonds (distance) C4'-P energy: -93.570
bonds (distance) P-C4' energy: -82.654
flat angles C4'-P-C4' energy: -98.888
flat angles P-C4'-P energy: -73.314
tors. eta vs tors. theta energy: -131.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -963.807655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.807655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.807655 (E_RNA)
where:
Base-Base interactions energy: -527.886
where: short stacking energy: -335.864
Base-Backbone interact. energy: -3.381
local terms energy: -432.540859
where:
bonds (distance) C4'-P energy: -87.834
bonds (distance) P-C4' energy: -86.860
flat angles C4'-P-C4' energy: -105.502
flat angles P-C4'-P energy: -58.693
tors. eta vs tors. theta energy: -93.652
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: 4, replica: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -869.582890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.582890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.582890 (E_RNA)
where:
Base-Base interactions energy: -468.207
where: short stacking energy: -297.593
Base-Backbone interact. energy: 1.299
local terms energy: -402.674956
where:
bonds (distance) C4'-P energy: -94.778
bonds (distance) P-C4' energy: -88.878
flat angles C4'-P-C4' energy: -87.047
flat angles P-C4'-P energy: -58.539
tors. eta vs tors. theta energy: -73.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -746.077449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.077449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.077449 (E_RNA)
where:
Base-Base interactions energy: -368.715
where: short stacking energy: -251.825
Base-Backbone interact. energy: -0.686
local terms energy: -376.677088
where:
bonds (distance) C4'-P energy: -89.153
bonds (distance) P-C4' energy: -79.044
flat angles C4'-P-C4' energy: -98.940
flat angles P-C4'-P energy: -40.857
tors. eta vs tors. theta energy: -68.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -539.576269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.576269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.576269 (E_RNA)
where:
Base-Base interactions energy: -251.997
where: short stacking energy: -190.716
Base-Backbone interact. energy: 0.333
local terms energy: -287.912092
where:
bonds (distance) C4'-P energy: -78.491
bonds (distance) P-C4' energy: -76.968
flat angles C4'-P-C4' energy: -71.515
flat angles P-C4'-P energy: -46.515
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -470.853356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.853356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.853356 (E_RNA)
where:
Base-Base interactions energy: -209.274
where: short stacking energy: -153.199
Base-Backbone interact. energy: -2.845
local terms energy: -258.734215
where:
bonds (distance) C4'-P energy: -66.834
bonds (distance) P-C4' energy: -80.323
flat angles C4'-P-C4' energy: -72.085
flat angles P-C4'-P energy: -48.103
tors. eta vs tors. theta energy: 8.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -395.700802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.700802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.700802 (E_RNA)
where:
Base-Base interactions energy: -111.367
where: short stacking energy: -83.474
Base-Backbone interact. energy: -2.867
local terms energy: -281.465959
where:
bonds (distance) C4'-P energy: -80.308
bonds (distance) P-C4' energy: -93.879
flat angles C4'-P-C4' energy: -71.223
flat angles P-C4'-P energy: -49.913
tors. eta vs tors. theta energy: 13.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -375.002526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.002526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.002526 (E_RNA)
where:
Base-Base interactions energy: -137.506
where: short stacking energy: -121.677
Base-Backbone interact. energy: -2.271
local terms energy: -235.225456
where:
bonds (distance) C4'-P energy: -57.050
bonds (distance) P-C4' energy: -77.251
flat angles C4'-P-C4' energy: -66.716
flat angles P-C4'-P energy: -33.744
tors. eta vs tors. theta energy: -0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -342.842309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.842309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.842309 (E_RNA)
where:
Base-Base interactions energy: -107.245
where: short stacking energy: -91.600
Base-Backbone interact. energy: 0.375
local terms energy: -235.971888
where:
bonds (distance) C4'-P energy: -76.346
bonds (distance) P-C4' energy: -87.585
flat angles C4'-P-C4' energy: -62.974
flat angles P-C4'-P energy: -34.127
tors. eta vs tors. theta energy: 25.059
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1171.602919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.602919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.602919 (E_RNA)
where:
Base-Base interactions energy: -669.690
where: short stacking energy: -416.676
Base-Backbone interact. energy: -1.071
local terms energy: -500.842184
where:
bonds (distance) C4'-P energy: -100.976
bonds (distance) P-C4' energy: -96.839
flat angles C4'-P-C4' energy: -106.438
flat angles P-C4'-P energy: -68.116
tors. eta vs tors. theta energy: -128.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1093.541997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.541997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.541997 (E_RNA)
where:
Base-Base interactions energy: -619.393
where: short stacking energy: -390.305
Base-Backbone interact. energy: -1.081
local terms energy: -473.067524
where:
bonds (distance) C4'-P energy: -94.485
bonds (distance) P-C4' energy: -94.493
flat angles C4'-P-C4' energy: -97.156
flat angles P-C4'-P energy: -67.008
tors. eta vs tors. theta energy: -119.926
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: 9
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -924.682379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.682379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.682379 (E_RNA)
where:
Base-Base interactions energy: -536.829
where: short stacking energy: -313.572
Base-Backbone interact. energy: -0.460
local terms energy: -387.394090
where:
bonds (distance) C4'-P energy: -93.863
bonds (distance) P-C4' energy: -85.783
flat angles C4'-P-C4' energy: -86.345
flat angles P-C4'-P energy: -52.004
tors. eta vs tors. theta energy: -69.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -873.972660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.972660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.972660 (E_RNA)
where:
Base-Base interactions energy: -485.137
where: short stacking energy: -290.068
Base-Backbone interact. energy: -1.004
local terms energy: -387.831860
where:
bonds (distance) C4'-P energy: -75.069
bonds (distance) P-C4' energy: -78.938
flat angles C4'-P-C4' energy: -97.838
flat angles P-C4'-P energy: -58.062
tors. eta vs tors. theta energy: -77.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -684.325367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.325367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.325367 (E_RNA)
where:
Base-Base interactions energy: -337.568
where: short stacking energy: -218.431
Base-Backbone interact. energy: 0.642
local terms energy: -347.399162
where:
bonds (distance) C4'-P energy: -75.610
bonds (distance) P-C4' energy: -94.522
flat angles C4'-P-C4' energy: -86.827
flat angles P-C4'-P energy: -53.000
tors. eta vs tors. theta energy: -37.440
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: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -517.437441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.437441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.437441 (E_RNA)
where:
Base-Base interactions energy: -204.162
where: short stacking energy: -160.038
Base-Backbone interact. energy: 0.279
local terms energy: -313.554315
where:
bonds (distance) C4'-P energy: -76.716
bonds (distance) P-C4' energy: -91.135
flat angles C4'-P-C4' energy: -80.471
flat angles P-C4'-P energy: -55.649
tors. eta vs tors. theta energy: -9.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -453.437231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.437231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.437231 (E_RNA)
where:
Base-Base interactions energy: -151.413
where: short stacking energy: -129.862
Base-Backbone interact. energy: -1.019
local terms energy: -301.004805
where:
bonds (distance) C4'-P energy: -87.704
bonds (distance) P-C4' energy: -79.507
flat angles C4'-P-C4' energy: -71.871
flat angles P-C4'-P energy: -53.613
tors. eta vs tors. theta energy: -8.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -417.509478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.509478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.509478 (E_RNA)
where:
Base-Base interactions energy: -156.878
where: short stacking energy: -127.125
Base-Backbone interact. energy: 2.153
local terms energy: -262.784094
where:
bonds (distance) C4'-P energy: -77.136
bonds (distance) P-C4' energy: -85.352
flat angles C4'-P-C4' energy: -65.255
flat angles P-C4'-P energy: -41.892
tors. eta vs tors. theta energy: 6.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -376.448208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.448208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.448208 (E_RNA)
where:
Base-Base interactions energy: -119.428
where: short stacking energy: -95.379
Base-Backbone interact. energy: -1.512
local terms energy: -255.508626
where:
bonds (distance) C4'-P energy: -82.419
bonds (distance) P-C4' energy: -83.450
flat angles C4'-P-C4' energy: -55.913
flat angles P-C4'-P energy: -33.315
tors. eta vs tors. theta energy: -0.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -358.157627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.157627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.157627 (E_RNA)
where:
Base-Base interactions energy: -123.576
where: short stacking energy: -113.579
Base-Backbone interact. energy: -0.710
local terms energy: -233.872013
where:
bonds (distance) C4'-P energy: -76.694
bonds (distance) P-C4' energy: -69.916
flat angles C4'-P-C4' energy: -69.163
flat angles P-C4'-P energy: -33.437
tors. eta vs tors. theta energy: 15.338
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1183.157625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.157625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.157625 (E_RNA)
where:
Base-Base interactions energy: -707.385
where: short stacking energy: -411.279
Base-Backbone interact. energy: -0.009
local terms energy: -475.763327
where:
bonds (distance) C4'-P energy: -82.085
bonds (distance) P-C4' energy: -97.420
flat angles C4'-P-C4' energy: -97.500
flat angles P-C4'-P energy: -68.175
tors. eta vs tors. theta energy: -130.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1132.801275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.801275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.801275 (E_RNA)
where:
Base-Base interactions energy: -658.330
where: short stacking energy: -376.162
Base-Backbone interact. energy: -0.280
local terms energy: -474.190919
where:
bonds (distance) C4'-P energy: -89.241
bonds (distance) P-C4' energy: -103.331
flat angles C4'-P-C4' energy: -99.107
flat angles P-C4'-P energy: -64.796
tors. eta vs tors. theta energy: -117.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -946.074760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.074760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.074760 (E_RNA)
where:
Base-Base interactions energy: -538.061
where: short stacking energy: -341.024
Base-Backbone interact. energy: -0.102
local terms energy: -407.912548
where:
bonds (distance) C4'-P energy: -92.930
bonds (distance) P-C4' energy: -84.664
flat angles C4'-P-C4' energy: -88.997
flat angles P-C4'-P energy: -55.784
tors. eta vs tors. theta energy: -85.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -838.952732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.952732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.952732 (E_RNA)
where:
Base-Base interactions energy: -425.999
where: short stacking energy: -270.408
Base-Backbone interact. energy: -2.093
local terms energy: -410.860495
where:
bonds (distance) C4'-P energy: -95.679
bonds (distance) P-C4' energy: -94.866
flat angles C4'-P-C4' energy: -84.005
flat angles P-C4'-P energy: -64.400
tors. eta vs tors. theta energy: -71.911
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: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -583.867457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.867457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.867457 (E_RNA)
where:
Base-Base interactions energy: -276.154
where: short stacking energy: -207.082
Base-Backbone interact. energy: 0.070
local terms energy: -307.783282
where:
bonds (distance) C4'-P energy: -73.989
bonds (distance) P-C4' energy: -72.906
flat angles C4'-P-C4' energy: -86.923
flat angles P-C4'-P energy: -59.890
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -615.998874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.998874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.998874 (E_RNA)
where:
Base-Base interactions energy: -289.990
where: short stacking energy: -189.832
Base-Backbone interact. energy: 0.452
local terms energy: -326.461463
where:
bonds (distance) C4'-P energy: -85.157
bonds (distance) P-C4' energy: -82.259
flat angles C4'-P-C4' energy: -72.578
flat angles P-C4'-P energy: -46.452
tors. eta vs tors. theta energy: -40.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -476.263612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.263612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.263612 (E_RNA)
where:
Base-Base interactions energy: -174.358
where: short stacking energy: -154.948
Base-Backbone interact. energy: 3.413
local terms energy: -305.317959
where:
bonds (distance) C4'-P energy: -89.066
bonds (distance) P-C4' energy: -79.479
flat angles C4'-P-C4' energy: -63.496
flat angles P-C4'-P energy: -58.244
tors. eta vs tors. theta energy: -15.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -430.916073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.916073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.916073 (E_RNA)
where:
Base-Base interactions energy: -156.678
where: short stacking energy: -149.149
Base-Backbone interact. energy: -0.606
local terms energy: -273.631677
where:
bonds (distance) C4'-P energy: -70.590
bonds (distance) P-C4' energy: -77.105
flat angles C4'-P-C4' energy: -72.793
flat angles P-C4'-P energy: -48.677
tors. eta vs tors. theta energy: -4.466
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: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -386.405444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.405444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.405444 (E_RNA)
where:
Base-Base interactions energy: -141.283
where: short stacking energy: -114.863
Base-Backbone interact. energy: 3.531
local terms energy: -248.653101
where:
bonds (distance) C4'-P energy: -89.623
bonds (distance) P-C4' energy: -80.390
flat angles C4'-P-C4' energy: -49.899
flat angles P-C4'-P energy: -42.951
tors. eta vs tors. theta energy: 14.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -355.703539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.703539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.703539 (E_RNA)
where:
Base-Base interactions energy: -123.737
where: short stacking energy: -115.169
Base-Backbone interact. energy: -1.197
local terms energy: -230.770037
where:
bonds (distance) C4'-P energy: -83.730
bonds (distance) P-C4' energy: -60.398
flat angles C4'-P-C4' energy: -55.907
flat angles P-C4'-P energy: -39.054
tors. eta vs tors. theta energy: 8.319
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1199.020182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.020182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.020182 (E_RNA)
where:
Base-Base interactions energy: -706.986
where: short stacking energy: -403.404
Base-Backbone interact. energy: -0.674
local terms energy: -491.359503
where:
bonds (distance) C4'-P energy: -87.699
bonds (distance) P-C4' energy: -102.152
flat angles C4'-P-C4' energy: -108.525
flat angles P-C4'-P energy: -70.570
tors. eta vs tors. theta energy: -122.413
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: 411
Temperature: 0.950000
Total energy: -1140.773697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.773697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.773697 (E_RNA)
where:
Base-Base interactions energy: -674.282
where: short stacking energy: -379.623
Base-Backbone interact. energy: 0.449
local terms energy: -466.940224
where:
bonds (distance) C4'-P energy: -86.943
bonds (distance) P-C4' energy: -88.846
flat angles C4'-P-C4' energy: -99.875
flat angles P-C4'-P energy: -68.547
tors. eta vs tors. theta energy: -122.729
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: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -942.700995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.700995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.700995 (E_RNA)
where:
Base-Base interactions energy: -542.190
where: short stacking energy: -326.358
Base-Backbone interact. energy: -2.032
local terms energy: -398.479557
where:
bonds (distance) C4'-P energy: -84.674
bonds (distance) P-C4' energy: -97.908
flat angles C4'-P-C4' energy: -90.024
flat angles P-C4'-P energy: -46.663
tors. eta vs tors. theta energy: -79.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -845.764924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.764924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.764924 (E_RNA)
where:
Base-Base interactions energy: -435.358
where: short stacking energy: -285.157
Base-Backbone interact. energy: -0.291
local terms energy: -410.115096
where:
bonds (distance) C4'-P energy: -85.605
bonds (distance) P-C4' energy: -95.826
flat angles C4'-P-C4' energy: -87.132
flat angles P-C4'-P energy: -68.444
tors. eta vs tors. theta energy: -73.108
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: 10
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -607.731662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.731662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.731662 (E_RNA)
where:
Base-Base interactions energy: -271.907
where: short stacking energy: -206.086
Base-Backbone interact. energy: 2.366
local terms energy: -338.191191
where:
bonds (distance) C4'-P energy: -74.270
bonds (distance) P-C4' energy: -93.115
flat angles C4'-P-C4' energy: -87.034
flat angles P-C4'-P energy: -56.126
tors. eta vs tors. theta energy: -27.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -611.126148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.126148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.126148 (E_RNA)
where:
Base-Base interactions energy: -295.396
where: short stacking energy: -207.543
Base-Backbone interact. energy: 2.087
local terms energy: -317.817884
where:
bonds (distance) C4'-P energy: -76.732
bonds (distance) P-C4' energy: -84.177
flat angles C4'-P-C4' energy: -82.475
flat angles P-C4'-P energy: -53.750
tors. eta vs tors. theta energy: -20.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -433.969593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.969593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.969593 (E_RNA)
where:
Base-Base interactions energy: -160.740
where: short stacking energy: -125.528
Base-Backbone interact. energy: 2.330
local terms energy: -275.559917
where:
bonds (distance) C4'-P energy: -78.004
bonds (distance) P-C4' energy: -78.569
flat angles C4'-P-C4' energy: -67.526
flat angles P-C4'-P energy: -54.450
tors. eta vs tors. theta energy: 2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -390.411791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.411791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.411791 (E_RNA)
where:
Base-Base interactions energy: -121.122
where: short stacking energy: -112.478
Base-Backbone interact. energy: -1.408
local terms energy: -267.881609
where:
bonds (distance) C4'-P energy: -85.299
bonds (distance) P-C4' energy: -75.553
flat angles C4'-P-C4' energy: -64.757
flat angles P-C4'-P energy: -49.457
tors. eta vs tors. theta energy: 7.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -384.133562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.133562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.133562 (E_RNA)
where:
Base-Base interactions energy: -132.022
where: short stacking energy: -92.884
Base-Backbone interact. energy: 0.338
local terms energy: -252.449806
where:
bonds (distance) C4'-P energy: -84.631
bonds (distance) P-C4' energy: -83.355
flat angles C4'-P-C4' energy: -61.789
flat angles P-C4'-P energy: -41.877
tors. eta vs tors. theta energy: 19.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -366.254789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.254789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.254789 (E_RNA)
where:
Base-Base interactions energy: -106.372
where: short stacking energy: -98.632
Base-Backbone interact. energy: 1.036
local terms energy: -260.918057
where:
bonds (distance) C4'-P energy: -71.133
bonds (distance) P-C4' energy: -85.721
flat angles C4'-P-C4' energy: -63.676
flat angles P-C4'-P energy: -57.558
tors. eta vs tors. theta energy: 17.170
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1212.023495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.023495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.023495 (E_RNA)
where:
Base-Base interactions energy: -718.186
where: short stacking energy: -433.695
Base-Backbone interact. energy: 0.183
local terms energy: -494.020410
where:
bonds (distance) C4'-P energy: -88.916
bonds (distance) P-C4' energy: -97.306
flat angles C4'-P-C4' energy: -98.795
flat angles P-C4'-P energy: -74.361
tors. eta vs tors. theta energy: -134.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1121.007034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.007034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.007034 (E_RNA)
where:
Base-Base interactions energy: -659.214
where: short stacking energy: -399.715
Base-Backbone interact. energy: -2.681
local terms energy: -459.112181
where:
bonds (distance) C4'-P energy: -94.762
bonds (distance) P-C4' energy: -84.247
flat angles C4'-P-C4' energy: -97.124
flat angles P-C4'-P energy: -68.278
tors. eta vs tors. theta energy: -114.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -871.170505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.170505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.170505 (E_RNA)
where:
Base-Base interactions energy: -466.895
where: short stacking energy: -305.061
Base-Backbone interact. energy: -1.233
local terms energy: -403.042794
where:
bonds (distance) C4'-P energy: -85.238
bonds (distance) P-C4' energy: -89.169
flat angles C4'-P-C4' energy: -97.274
flat angles P-C4'-P energy: -56.537
tors. eta vs tors. theta energy: -74.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -858.832570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.832570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.832570 (E_RNA)
where:
Base-Base interactions energy: -475.542
where: short stacking energy: -309.967
Base-Backbone interact. energy: -1.907
local terms energy: -381.383461
where:
bonds (distance) C4'-P energy: -90.725
bonds (distance) P-C4' energy: -91.317
flat angles C4'-P-C4' energy: -80.734
flat angles P-C4'-P energy: -46.717
tors. eta vs tors. theta energy: -71.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -668.413297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.413297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.413297 (E_RNA)
where:
Base-Base interactions energy: -328.848
where: short stacking energy: -205.024
Base-Backbone interact. energy: 5.724
local terms energy: -345.289245
where:
bonds (distance) C4'-P energy: -83.142
bonds (distance) P-C4' energy: -92.792
flat angles C4'-P-C4' energy: -94.790
flat angles P-C4'-P energy: -42.776
tors. eta vs tors. theta energy: -31.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -548.038692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.038692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.038692 (E_RNA)
where:
Base-Base interactions energy: -215.415
where: short stacking energy: -159.850
Base-Backbone interact. energy: -0.490
local terms energy: -332.133044
where:
bonds (distance) C4'-P energy: -91.680
bonds (distance) P-C4' energy: -88.970
flat angles C4'-P-C4' energy: -84.924
flat angles P-C4'-P energy: -49.753
tors. eta vs tors. theta energy: -16.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -447.337350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.337350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.337350 (E_RNA)
where:
Base-Base interactions energy: -183.826
where: short stacking energy: -141.847
Base-Backbone interact. energy: 1.041
local terms energy: -264.551997
where:
bonds (distance) C4'-P energy: -82.620
bonds (distance) P-C4' energy: -76.950
flat angles C4'-P-C4' energy: -64.449
flat angles P-C4'-P energy: -42.835
tors. eta vs tors. theta energy: 2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -425.868404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.868404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.868404 (E_RNA)
where:
Base-Base interactions energy: -147.395
where: short stacking energy: -124.595
Base-Backbone interact. energy: 0.586
local terms energy: -279.059233
where:
bonds (distance) C4'-P energy: -84.392
bonds (distance) P-C4' energy: -81.779
flat angles C4'-P-C4' energy: -65.820
flat angles P-C4'-P energy: -44.602
tors. eta vs tors. theta energy: -2.466
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: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -381.971828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.971828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.971828 (E_RNA)
where:
Base-Base interactions energy: -129.462
where: short stacking energy: -119.781
Base-Backbone interact. energy: -0.062
local terms energy: -252.448616
where:
bonds (distance) C4'-P energy: -64.891
bonds (distance) P-C4' energy: -80.172
flat angles C4'-P-C4' energy: -67.535
flat angles P-C4'-P energy: -43.171
tors. eta vs tors. theta energy: 3.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -348.172585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.172585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.172585 (E_RNA)
where:
Base-Base interactions energy: -110.130
where: short stacking energy: -101.906
Base-Backbone interact. energy: 0.276
local terms energy: -238.318071
where:
bonds (distance) C4'-P energy: -64.482
bonds (distance) P-C4' energy: -76.021
flat angles C4'-P-C4' energy: -70.319
flat angles P-C4'-P energy: -40.795
tors. eta vs tors. theta energy: 13.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1188.014591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.014591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.014591 (E_RNA)
where:
Base-Base interactions energy: -709.800
where: short stacking energy: -413.400
Base-Backbone interact. energy: -0.411
local terms energy: -477.803247
where:
bonds (distance) C4'-P energy: -88.145
bonds (distance) P-C4' energy: -92.808
flat angles C4'-P-C4' energy: -99.327
flat angles P-C4'-P energy: -73.153
tors. eta vs tors. theta energy: -124.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1113.838499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.838499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.838499 (E_RNA)
where:
Base-Base interactions energy: -656.356
where: short stacking energy: -382.451
Base-Backbone interact. energy: -0.457
local terms energy: -457.024908
where:
bonds (distance) C4'-P energy: -92.881
bonds (distance) P-C4' energy: -98.322
flat angles C4'-P-C4' energy: -103.811
flat angles P-C4'-P energy: -53.508
tors. eta vs tors. theta energy: -108.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -898.453558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.453558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.453558 (E_RNA)
where:
Base-Base interactions energy: -475.851
where: short stacking energy: -319.867
Base-Backbone interact. energy: 2.439
local terms energy: -425.040874
where:
bonds (distance) C4'-P energy: -89.244
bonds (distance) P-C4' energy: -87.183
flat angles C4'-P-C4' energy: -90.361
flat angles P-C4'-P energy: -68.607
tors. eta vs tors. theta energy: -89.646
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: 4, replica: 9
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -874.535942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.535942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.535942 (E_RNA)
where:
Base-Base interactions energy: -473.576
where: short stacking energy: -267.369
Base-Backbone interact. energy: -0.785
local terms energy: -400.175089
where:
bonds (distance) C4'-P energy: -85.055
bonds (distance) P-C4' energy: -93.328
flat angles C4'-P-C4' energy: -89.130
flat angles P-C4'-P energy: -58.456
tors. eta vs tors. theta energy: -74.205
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: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -699.625991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.625991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.625991 (E_RNA)
where:
Base-Base interactions energy: -356.790
where: short stacking energy: -240.785
Base-Backbone interact. energy: -1.262
local terms energy: -341.574095
where:
bonds (distance) C4'-P energy: -77.233
bonds (distance) P-C4' energy: -81.051
flat angles C4'-P-C4' energy: -74.424
flat angles P-C4'-P energy: -50.501
tors. eta vs tors. theta energy: -58.365
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: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -579.521515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.521515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.521515 (E_RNA)
where:
Base-Base interactions energy: -236.650
where: short stacking energy: -171.321
Base-Backbone interact. energy: -2.023
local terms energy: -340.848847
where:
bonds (distance) C4'-P energy: -87.857
bonds (distance) P-C4' energy: -86.513
flat angles C4'-P-C4' energy: -84.941
flat angles P-C4'-P energy: -49.993
tors. eta vs tors. theta energy: -31.545
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: 7, replica: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -449.261259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.261259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.261259 (E_RNA)
where:
Base-Base interactions energy: -166.435
where: short stacking energy: -156.060
Base-Backbone interact. energy: 0.983
local terms energy: -283.809169
where:
bonds (distance) C4'-P energy: -77.096
bonds (distance) P-C4' energy: -86.575
flat angles C4'-P-C4' energy: -60.391
flat angles P-C4'-P energy: -49.199
tors. eta vs tors. theta energy: -10.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -427.693015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.693015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.693015 (E_RNA)
where:
Base-Base interactions energy: -169.696
where: short stacking energy: -149.311
Base-Backbone interact. energy: -0.953
local terms energy: -257.044130
where:
bonds (distance) C4'-P energy: -62.155
bonds (distance) P-C4' energy: -86.665
flat angles C4'-P-C4' energy: -77.488
flat angles P-C4'-P energy: -23.848
tors. eta vs tors. theta energy: -6.889
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: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -378.567103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.567103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.567103 (E_RNA)
where:
Base-Base interactions energy: -120.240
where: short stacking energy: -112.292
Base-Backbone interact. energy: 0.000
local terms energy: -258.327413
where:
bonds (distance) C4'-P energy: -80.788
bonds (distance) P-C4' energy: -79.901
flat angles C4'-P-C4' energy: -71.260
flat angles P-C4'-P energy: -33.031
tors. eta vs tors. theta energy: 6.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -371.354686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.354686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.354686 (E_RNA)
where:
Base-Base interactions energy: -112.834
where: short stacking energy: -104.630
Base-Backbone interact. energy: -0.754
local terms energy: -257.766341
where:
bonds (distance) C4'-P energy: -76.456
bonds (distance) P-C4' energy: -98.099
flat angles C4'-P-C4' energy: -71.809
flat angles P-C4'-P energy: -31.959
tors. eta vs tors. theta energy: 20.557
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1169.225936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.225936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.225936 (E_RNA)
where:
Base-Base interactions energy: -691.032
where: short stacking energy: -398.482
Base-Backbone interact. energy: -0.769
local terms energy: -477.424785
where:
bonds (distance) C4'-P energy: -81.801
bonds (distance) P-C4' energy: -97.729
flat angles C4'-P-C4' energy: -96.251
flat angles P-C4'-P energy: -80.098
tors. eta vs tors. theta energy: -121.545
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: 414
Temperature: 0.950000
Total energy: -1123.664633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.664633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.664633 (E_RNA)
where:
Base-Base interactions energy: -655.794
where: short stacking energy: -378.812
Base-Backbone interact. energy: -0.361
local terms energy: -467.509750
where:
bonds (distance) C4'-P energy: -79.025
bonds (distance) P-C4' energy: -95.327
flat angles C4'-P-C4' energy: -102.248
flat angles P-C4'-P energy: -73.369
tors. eta vs tors. theta energy: -117.541
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: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -945.342205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.342205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.342205 (E_RNA)
where:
Base-Base interactions energy: -529.937
where: short stacking energy: -309.407
Base-Backbone interact. energy: -1.013
local terms energy: -414.391487
where:
bonds (distance) C4'-P energy: -84.925
bonds (distance) P-C4' energy: -96.046
flat angles C4'-P-C4' energy: -101.681
flat angles P-C4'-P energy: -54.756
tors. eta vs tors. theta energy: -76.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -786.842858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.842858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.842858 (E_RNA)
where:
Base-Base interactions energy: -399.854
where: short stacking energy: -253.916
Base-Backbone interact. energy: -1.769
local terms energy: -385.220529
where:
bonds (distance) C4'-P energy: -85.843
bonds (distance) P-C4' energy: -90.254
flat angles C4'-P-C4' energy: -84.761
flat angles P-C4'-P energy: -63.136
tors. eta vs tors. theta energy: -61.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -675.406144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.406144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.406144 (E_RNA)
where:
Base-Base interactions energy: -358.744
where: short stacking energy: -255.630
Base-Backbone interact. energy: -2.417
local terms energy: -314.245368
where:
bonds (distance) C4'-P energy: -85.562
bonds (distance) P-C4' energy: -73.593
flat angles C4'-P-C4' energy: -68.379
flat angles P-C4'-P energy: -43.157
tors. eta vs tors. theta energy: -43.554
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: 6, replica: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -582.163268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.163268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.163268 (E_RNA)
where:
Base-Base interactions energy: -244.396
where: short stacking energy: -199.262
Base-Backbone interact. energy: -0.206
local terms energy: -337.561191
where:
bonds (distance) C4'-P energy: -79.802
bonds (distance) P-C4' energy: -97.143
flat angles C4'-P-C4' energy: -78.134
flat angles P-C4'-P energy: -52.081
tors. eta vs tors. theta energy: -30.401
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: 7, replica: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -427.163636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.163636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.163636 (E_RNA)
where:
Base-Base interactions energy: -155.541
where: short stacking energy: -127.015
Base-Backbone interact. energy: 0.445
local terms energy: -272.067693
where:
bonds (distance) C4'-P energy: -79.571
bonds (distance) P-C4' energy: -87.127
flat angles C4'-P-C4' energy: -58.445
flat angles P-C4'-P energy: -44.325
tors. eta vs tors. theta energy: -2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -408.490984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.490984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.490984 (E_RNA)
where:
Base-Base interactions energy: -140.967
where: short stacking energy: -128.844
Base-Backbone interact. energy: -0.489
local terms energy: -267.035391
where:
bonds (distance) C4'-P energy: -86.970
bonds (distance) P-C4' energy: -84.246
flat angles C4'-P-C4' energy: -68.046
flat angles P-C4'-P energy: -39.844
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: 9, replica: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -381.241088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.241088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.241088 (E_RNA)
where:
Base-Base interactions energy: -130.183
where: short stacking energy: -124.961
Base-Backbone interact. energy: 0.996
local terms energy: -252.053395
where:
bonds (distance) C4'-P energy: -70.058
bonds (distance) P-C4' energy: -90.743
flat angles C4'-P-C4' energy: -64.817
flat angles P-C4'-P energy: -28.435
tors. eta vs tors. theta energy: 2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -340.517221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.517221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.517221 (E_RNA)
where:
Base-Base interactions energy: -96.523
where: short stacking energy: -92.277
Base-Backbone interact. energy: 1.841
local terms energy: -245.834423
where:
bonds (distance) C4'-P energy: -80.624
bonds (distance) P-C4' energy: -89.928
flat angles C4'-P-C4' energy: -62.475
flat angles P-C4'-P energy: -37.658
tors. eta vs tors. theta energy: 24.851
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1198.626613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.626613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.626613 (E_RNA)
where:
Base-Base interactions energy: -724.719
where: short stacking energy: -419.637
Base-Backbone interact. energy: 0.962
local terms energy: -474.870350
where:
bonds (distance) C4'-P energy: -95.479
bonds (distance) P-C4' energy: -93.210
flat angles C4'-P-C4' energy: -99.097
flat angles P-C4'-P energy: -60.992
tors. eta vs tors. theta energy: -126.092
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: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1111.869026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.869026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.869026 (E_RNA)
where:
Base-Base interactions energy: -663.177
where: short stacking energy: -385.847
Base-Backbone interact. energy: 2.748
local terms energy: -451.440324
where:
bonds (distance) C4'-P energy: -97.422
bonds (distance) P-C4' energy: -87.002
flat angles C4'-P-C4' energy: -97.531
flat angles P-C4'-P energy: -58.395
tors. eta vs tors. theta energy: -111.089
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: 3, replica: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1008.094149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.094149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.094149 (E_RNA)
where:
Base-Base interactions energy: -572.420
where: short stacking energy: -350.084
Base-Backbone interact. energy: -1.295
local terms energy: -434.378790
where:
bonds (distance) C4'-P energy: -87.565
bonds (distance) P-C4' energy: -77.612
flat angles C4'-P-C4' energy: -108.180
flat angles P-C4'-P energy: -56.595
tors. eta vs tors. theta energy: -104.427
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: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -807.385935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.385935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.385935 (E_RNA)
where:
Base-Base interactions energy: -430.834
where: short stacking energy: -234.703
Base-Backbone interact. energy: -1.274
local terms energy: -375.278704
where:
bonds (distance) C4'-P energy: -73.144
bonds (distance) P-C4' energy: -97.521
flat angles C4'-P-C4' energy: -90.541
flat angles P-C4'-P energy: -60.625
tors. eta vs tors. theta energy: -53.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -665.808901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.808901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.808901 (E_RNA)
where:
Base-Base interactions energy: -310.547
where: short stacking energy: -212.915
Base-Backbone interact. energy: 0.786
local terms energy: -356.047553
where:
bonds (distance) C4'-P energy: -83.185
bonds (distance) P-C4' energy: -98.560
flat angles C4'-P-C4' energy: -78.557
flat angles P-C4'-P energy: -50.481
tors. eta vs tors. theta energy: -45.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -575.200535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.200535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.200535 (E_RNA)
where:
Base-Base interactions energy: -237.168
where: short stacking energy: -183.994
Base-Backbone interact. energy: -0.496
local terms energy: -337.536331
where:
bonds (distance) C4'-P energy: -76.268
bonds (distance) P-C4' energy: -83.373
flat angles C4'-P-C4' energy: -78.738
flat angles P-C4'-P energy: -64.865
tors. eta vs tors. theta energy: -34.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -462.235161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.235161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.235161 (E_RNA)
where:
Base-Base interactions energy: -154.107
where: short stacking energy: -138.130
Base-Backbone interact. energy: 2.705
local terms energy: -310.832515
where:
bonds (distance) C4'-P energy: -78.795
bonds (distance) P-C4' energy: -96.892
flat angles C4'-P-C4' energy: -68.793
flat angles P-C4'-P energy: -46.953
tors. eta vs tors. theta energy: -19.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -405.503767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.503767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.503767 (E_RNA)
where:
Base-Base interactions energy: -143.359
where: short stacking energy: -126.162
Base-Backbone interact. energy: -1.387
local terms energy: -260.758197
where:
bonds (distance) C4'-P energy: -90.811
bonds (distance) P-C4' energy: -85.332
flat angles C4'-P-C4' energy: -59.862
flat angles P-C4'-P energy: -26.355
tors. eta vs tors. theta energy: 1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -340.410912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.410912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.410912 (E_RNA)
where:
Base-Base interactions energy: -109.574
where: short stacking energy: -104.537
Base-Backbone interact. energy: 3.323
local terms energy: -234.160502
where:
bonds (distance) C4'-P energy: -75.610
bonds (distance) P-C4' energy: -77.356
flat angles C4'-P-C4' energy: -59.627
flat angles P-C4'-P energy: -36.132
tors. eta vs tors. theta energy: 14.564
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: 2
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -349.408746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.408746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.408746 (E_RNA)
where:
Base-Base interactions energy: -111.631
where: short stacking energy: -101.536
Base-Backbone interact. energy: -2.112
local terms energy: -235.665185
where:
bonds (distance) C4'-P energy: -61.234
bonds (distance) P-C4' energy: -80.267
flat angles C4'-P-C4' energy: -69.365
flat angles P-C4'-P energy: -35.438
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1197.302319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.302319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.302319 (E_RNA)
where:
Base-Base interactions energy: -723.854
where: short stacking energy: -418.865
Base-Backbone interact. energy: -1.001
local terms energy: -472.447604
where:
bonds (distance) C4'-P energy: -84.389
bonds (distance) P-C4' energy: -97.718
flat angles C4'-P-C4' energy: -99.696
flat angles P-C4'-P energy: -68.024
tors. eta vs tors. theta energy: -122.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1107.379686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.379686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.379686 (E_RNA)
where:
Base-Base interactions energy: -651.023
where: short stacking energy: -379.912
Base-Backbone interact. energy: 1.048
local terms energy: -457.405387
where:
bonds (distance) C4'-P energy: -84.431
bonds (distance) P-C4' energy: -102.412
flat angles C4'-P-C4' energy: -92.859
flat angles P-C4'-P energy: -73.695
tors. eta vs tors. theta energy: -104.009
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: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -951.530024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.530024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.530024 (E_RNA)
where:
Base-Base interactions energy: -533.258
where: short stacking energy: -322.856
Base-Backbone interact. energy: -1.137
local terms energy: -417.134464
where:
bonds (distance) C4'-P energy: -87.354
bonds (distance) P-C4' energy: -92.156
flat angles C4'-P-C4' energy: -86.608
flat angles P-C4'-P energy: -59.729
tors. eta vs tors. theta energy: -91.286
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: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -798.180476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.180476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.180476 (E_RNA)
where:
Base-Base interactions energy: -398.684
where: short stacking energy: -269.565
Base-Backbone interact. energy: -0.614
local terms energy: -398.882356
where:
bonds (distance) C4'-P energy: -83.116
bonds (distance) P-C4' energy: -101.386
flat angles C4'-P-C4' energy: -85.948
flat angles P-C4'-P energy: -61.099
tors. eta vs tors. theta energy: -67.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -683.335493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.335493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.335493 (E_RNA)
where:
Base-Base interactions energy: -328.734
where: short stacking energy: -225.480
Base-Backbone interact. energy: -1.010
local terms energy: -353.592060
where:
bonds (distance) C4'-P energy: -90.154
bonds (distance) P-C4' energy: -80.846
flat angles C4'-P-C4' energy: -88.394
flat angles P-C4'-P energy: -59.446
tors. eta vs tors. theta energy: -34.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -551.219257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.219257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.219257 (E_RNA)
where:
Base-Base interactions energy: -239.669
where: short stacking energy: -173.610
Base-Backbone interact. energy: -0.030
local terms energy: -311.519745
where:
bonds (distance) C4'-P energy: -72.259
bonds (distance) P-C4' energy: -82.842
flat angles C4'-P-C4' energy: -74.879
flat angles P-C4'-P energy: -51.298
tors. eta vs tors. theta energy: -30.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -437.566204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.566204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.566204 (E_RNA)
where:
Base-Base interactions energy: -148.755
where: short stacking energy: -132.739
Base-Backbone interact. energy: -1.260
local terms energy: -287.551550
where:
bonds (distance) C4'-P energy: -86.757
bonds (distance) P-C4' energy: -83.448
flat angles C4'-P-C4' energy: -69.690
flat angles P-C4'-P energy: -46.634
tors. eta vs tors. theta energy: -1.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -405.223287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.223287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.223287 (E_RNA)
where:
Base-Base interactions energy: -131.707
where: short stacking energy: -127.075
Base-Backbone interact. energy: 1.137
local terms energy: -274.652837
where:
bonds (distance) C4'-P energy: -74.059
bonds (distance) P-C4' energy: -84.934
flat angles C4'-P-C4' energy: -78.095
flat angles P-C4'-P energy: -54.214
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: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -367.951256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.951256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.951256 (E_RNA)
where:
Base-Base interactions energy: -107.472
where: short stacking energy: -82.730
Base-Backbone interact. energy: -0.278
local terms energy: -260.200981
where:
bonds (distance) C4'-P energy: -85.012
bonds (distance) P-C4' energy: -84.190
flat angles C4'-P-C4' energy: -69.421
flat angles P-C4'-P energy: -32.260
tors. eta vs tors. theta energy: 10.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -359.384472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.384472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.384472 (E_RNA)
where:
Base-Base interactions energy: -125.391
where: short stacking energy: -105.731
Base-Backbone interact. energy: 0.653
local terms energy: -234.645866
where:
bonds (distance) C4'-P energy: -76.082
bonds (distance) P-C4' energy: -75.131
flat angles C4'-P-C4' energy: -64.749
flat angles P-C4'-P energy: -45.428
tors. eta vs tors. theta energy: 26.745
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1193.940733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.940733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.940733 (E_RNA)
where:
Base-Base interactions energy: -717.255
where: short stacking energy: -428.431
Base-Backbone interact. energy: -0.667
local terms energy: -476.018967
where:
bonds (distance) C4'-P energy: -90.642
bonds (distance) P-C4' energy: -91.864
flat angles C4'-P-C4' energy: -96.159
flat angles P-C4'-P energy: -65.618
tors. eta vs tors. theta energy: -131.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1101.236560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.236560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.236560 (E_RNA)
where:
Base-Base interactions energy: -645.777
where: short stacking energy: -377.114
Base-Backbone interact. energy: -0.808
local terms energy: -454.651041
where:
bonds (distance) C4'-P energy: -86.161
bonds (distance) P-C4' energy: -91.515
flat angles C4'-P-C4' energy: -100.455
flat angles P-C4'-P energy: -72.799
tors. eta vs tors. theta energy: -103.721
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: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -975.145870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.145870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.145870 (E_RNA)
where:
Base-Base interactions energy: -547.845
where: short stacking energy: -326.374
Base-Backbone interact. energy: 2.589
local terms energy: -429.889699
where:
bonds (distance) C4'-P energy: -96.272
bonds (distance) P-C4' energy: -87.935
flat angles C4'-P-C4' energy: -88.506
flat angles P-C4'-P energy: -66.343
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: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -825.021718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.021718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.021718 (E_RNA)
where:
Base-Base interactions energy: -424.139
where: short stacking energy: -309.468
Base-Backbone interact. energy: -0.775
local terms energy: -400.107876
where:
bonds (distance) C4'-P energy: -80.780
bonds (distance) P-C4' energy: -90.406
flat angles C4'-P-C4' energy: -91.381
flat angles P-C4'-P energy: -59.551
tors. eta vs tors. theta energy: -77.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -663.684922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.684922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.684922 (E_RNA)
where:
Base-Base interactions energy: -304.226
where: short stacking energy: -206.138
Base-Backbone interact. energy: 1.950
local terms energy: -361.409650
where:
bonds (distance) C4'-P energy: -85.599
bonds (distance) P-C4' energy: -72.692
flat angles C4'-P-C4' energy: -100.207
flat angles P-C4'-P energy: -59.069
tors. eta vs tors. theta energy: -43.842
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: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -569.815769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.815769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.815769 (E_RNA)
where:
Base-Base interactions energy: -265.338
where: short stacking energy: -195.377
Base-Backbone interact. energy: 2.624
local terms energy: -307.101550
where:
bonds (distance) C4'-P energy: -78.874
bonds (distance) P-C4' energy: -78.359
flat angles C4'-P-C4' energy: -69.896
flat angles P-C4'-P energy: -49.591
tors. eta vs tors. theta energy: -30.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -448.667720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.667720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.667720 (E_RNA)
where:
Base-Base interactions energy: -148.698
where: short stacking energy: -142.710
Base-Backbone interact. energy: 0.043
local terms energy: -300.012593
where:
bonds (distance) C4'-P energy: -78.947
bonds (distance) P-C4' energy: -84.921
flat angles C4'-P-C4' energy: -72.420
flat angles P-C4'-P energy: -56.650
tors. eta vs tors. theta energy: -7.073
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: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -421.780273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.780273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.780273 (E_RNA)
where:
Base-Base interactions energy: -131.180
where: short stacking energy: -111.532
Base-Backbone interact. energy: -0.343
local terms energy: -290.257357
where:
bonds (distance) C4'-P energy: -77.835
bonds (distance) P-C4' energy: -92.182
flat angles C4'-P-C4' energy: -70.082
flat angles P-C4'-P energy: -44.264
tors. eta vs tors. theta energy: -5.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -374.168816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.168816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.168816 (E_RNA)
where:
Base-Base interactions energy: -126.509
where: short stacking energy: -115.349
Base-Backbone interact. energy: -0.044
local terms energy: -247.615357
where:
bonds (distance) C4'-P energy: -66.146
bonds (distance) P-C4' energy: -84.546
flat angles C4'-P-C4' energy: -56.946
flat angles P-C4'-P energy: -30.156
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: 10, replica: 2
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -356.158897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.158897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.158897 (E_RNA)
where:
Base-Base interactions energy: -99.790
where: short stacking energy: -97.104
Base-Backbone interact. energy: 1.199
local terms energy: -257.568692
where:
bonds (distance) C4'-P energy: -79.124
bonds (distance) P-C4' energy: -77.908
flat angles C4'-P-C4' energy: -76.293
flat angles P-C4'-P energy: -43.589
tors. eta vs tors. theta energy: 19.345
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1210.020971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.020971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.020971 (E_RNA)
where:
Base-Base interactions energy: -718.149
where: short stacking energy: -428.056
Base-Backbone interact. energy: -0.613
local terms energy: -491.259025
where:
bonds (distance) C4'-P energy: -94.537
bonds (distance) P-C4' energy: -95.518
flat angles C4'-P-C4' energy: -96.938
flat angles P-C4'-P energy: -79.125
tors. eta vs tors. theta energy: -125.142
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: 2, replica: 4
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1127.069941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.069941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.069941 (E_RNA)
where:
Base-Base interactions energy: -664.168
where: short stacking energy: -378.533
Base-Backbone interact. energy: -0.757
local terms energy: -462.145681
where:
bonds (distance) C4'-P energy: -98.724
bonds (distance) P-C4' energy: -93.373
flat angles C4'-P-C4' energy: -105.621
flat angles P-C4'-P energy: -54.318
tors. eta vs tors. theta energy: -110.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -972.015123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.015123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.015123 (E_RNA)
where:
Base-Base interactions energy: -546.244
where: short stacking energy: -357.302
Base-Backbone interact. energy: -0.107
local terms energy: -425.663680
where:
bonds (distance) C4'-P energy: -77.895
bonds (distance) P-C4' energy: -95.610
flat angles C4'-P-C4' energy: -91.926
flat angles P-C4'-P energy: -57.212
tors. eta vs tors. theta energy: -103.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -825.630113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.630113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.630113 (E_RNA)
where:
Base-Base interactions energy: -448.999
where: short stacking energy: -291.795
Base-Backbone interact. energy: -0.334
local terms energy: -376.297553
where:
bonds (distance) C4'-P energy: -85.536
bonds (distance) P-C4' energy: -89.561
flat angles C4'-P-C4' energy: -94.753
flat angles P-C4'-P energy: -34.747
tors. eta vs tors. theta energy: -71.700
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: -664.274107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.274107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.274107 (E_RNA)
where:
Base-Base interactions energy: -322.174
where: short stacking energy: -227.236
Base-Backbone interact. energy: 0.520
local terms energy: -342.620382
where:
bonds (distance) C4'-P energy: -84.428
bonds (distance) P-C4' energy: -82.947
flat angles C4'-P-C4' energy: -79.904
flat angles P-C4'-P energy: -41.209
tors. eta vs tors. theta energy: -54.132
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: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -584.293079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.293079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.293079 (E_RNA)
where:
Base-Base interactions energy: -273.681
where: short stacking energy: -172.377
Base-Backbone interact. energy: -0.840
local terms energy: -309.771267
where:
bonds (distance) C4'-P energy: -73.771
bonds (distance) P-C4' energy: -78.282
flat angles C4'-P-C4' energy: -80.295
flat angles P-C4'-P energy: -56.645
tors. eta vs tors. theta energy: -20.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -439.449300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.449300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.449300 (E_RNA)
where:
Base-Base interactions energy: -159.753
where: short stacking energy: -139.110
Base-Backbone interact. energy: -2.220
local terms energy: -277.476083
where:
bonds (distance) C4'-P energy: -78.699
bonds (distance) P-C4' energy: -67.246
flat angles C4'-P-C4' energy: -82.011
flat angles P-C4'-P energy: -45.350
tors. eta vs tors. theta energy: -4.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -406.180364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.180364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.180364 (E_RNA)
where:
Base-Base interactions energy: -138.774
where: short stacking energy: -123.979
Base-Backbone interact. energy: 0.655
local terms energy: -268.060684
where:
bonds (distance) C4'-P energy: -82.093
bonds (distance) P-C4' energy: -82.570
flat angles C4'-P-C4' energy: -58.747
flat angles P-C4'-P energy: -51.567
tors. eta vs tors. theta energy: 6.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -377.273241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.273241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.273241 (E_RNA)
where:
Base-Base interactions energy: -133.939
where: short stacking energy: -106.549
Base-Backbone interact. energy: 1.294
local terms energy: -244.628846
where:
bonds (distance) C4'-P energy: -90.710
bonds (distance) P-C4' energy: -74.993
flat angles C4'-P-C4' energy: -51.985
flat angles P-C4'-P energy: -44.517
tors. eta vs tors. theta energy: 17.577
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: 7
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -370.413485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.413485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.413485 (E_RNA)
where:
Base-Base interactions energy: -117.376
where: short stacking energy: -114.776
Base-Backbone interact. energy: 0.058
local terms energy: -253.095955
where:
bonds (distance) C4'-P energy: -74.272
bonds (distance) P-C4' energy: -78.225
flat angles C4'-P-C4' energy: -53.997
flat angles P-C4'-P energy: -37.556
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1213.682403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.682403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.682403 (E_RNA)
where:
Base-Base interactions energy: -724.941
where: short stacking energy: -427.101
Base-Backbone interact. energy: -0.667
local terms energy: -488.074683
where:
bonds (distance) C4'-P energy: -90.751
bonds (distance) P-C4' energy: -97.656
flat angles C4'-P-C4' energy: -99.964
flat angles P-C4'-P energy: -60.636
tors. eta vs tors. theta energy: -139.067
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: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1098.248417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.248417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.248417 (E_RNA)
where:
Base-Base interactions energy: -656.579
where: short stacking energy: -379.937
Base-Backbone interact. energy: -0.360
local terms energy: -441.310119
where:
bonds (distance) C4'-P energy: -83.666
bonds (distance) P-C4' energy: -85.417
flat angles C4'-P-C4' energy: -97.759
flat angles P-C4'-P energy: -58.325
tors. eta vs tors. theta energy: -116.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -976.663366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.663366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.663366 (E_RNA)
where:
Base-Base interactions energy: -556.294
where: short stacking energy: -337.235
Base-Backbone interact. energy: -0.209
local terms energy: -420.159928
where:
bonds (distance) C4'-P energy: -91.183
bonds (distance) P-C4' energy: -77.654
flat angles C4'-P-C4' energy: -90.036
flat angles P-C4'-P energy: -66.595
tors. eta vs tors. theta energy: -94.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -813.980071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.980071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.980071 (E_RNA)
where:
Base-Base interactions energy: -450.220
where: short stacking energy: -273.822
Base-Backbone interact. energy: -2.644
local terms energy: -361.115867
where:
bonds (distance) C4'-P energy: -88.525
bonds (distance) P-C4' energy: -79.802
flat angles C4'-P-C4' energy: -84.967
flat angles P-C4'-P energy: -49.687
tors. eta vs tors. theta energy: -58.136
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: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -653.934875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.934875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.934875 (E_RNA)
where:
Base-Base interactions energy: -301.756
where: short stacking energy: -216.726
Base-Backbone interact. energy: -1.604
local terms energy: -350.574760
where:
bonds (distance) C4'-P energy: -85.475
bonds (distance) P-C4' energy: -92.022
flat angles C4'-P-C4' energy: -86.381
flat angles P-C4'-P energy: -49.431
tors. eta vs tors. theta energy: -37.267
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: 419
Temperature: 1.150000
Total energy: -601.694887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.694887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.694887 (E_RNA)
where:
Base-Base interactions energy: -276.390
where: short stacking energy: -217.057
Base-Backbone interact. energy: -0.571
local terms energy: -324.734019
where:
bonds (distance) C4'-P energy: -84.720
bonds (distance) P-C4' energy: -63.801
flat angles C4'-P-C4' energy: -82.594
flat angles P-C4'-P energy: -51.559
tors. eta vs tors. theta energy: -42.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -422.199693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.199693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.199693 (E_RNA)
where:
Base-Base interactions energy: -140.358
where: short stacking energy: -135.097
Base-Backbone interact. energy: -0.513
local terms energy: -281.328088
where:
bonds (distance) C4'-P energy: -79.505
bonds (distance) P-C4' energy: -83.715
flat angles C4'-P-C4' energy: -78.070
flat angles P-C4'-P energy: -31.475
tors. eta vs tors. theta energy: -8.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -418.150216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.150216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.150216 (E_RNA)
where:
Base-Base interactions energy: -147.182
where: short stacking energy: -132.748
Base-Backbone interact. energy: -0.079
local terms energy: -270.889795
where:
bonds (distance) C4'-P energy: -80.027
bonds (distance) P-C4' energy: -76.457
flat angles C4'-P-C4' energy: -74.000
flat angles P-C4'-P energy: -52.659
tors. eta vs tors. theta energy: 12.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -380.311276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.311276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.311276 (E_RNA)
where:
Base-Base interactions energy: -148.692
where: short stacking energy: -109.855
Base-Backbone interact. energy: 1.205
local terms energy: -232.823700
where:
bonds (distance) C4'-P energy: -59.445
bonds (distance) P-C4' energy: -74.363
flat angles C4'-P-C4' energy: -64.540
flat angles P-C4'-P energy: -44.968
tors. eta vs tors. theta energy: 10.492
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: 7
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -369.375230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.375230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.375230 (E_RNA)
where:
Base-Base interactions energy: -129.148
where: short stacking energy: -104.921
Base-Backbone interact. energy: 0.970
local terms energy: -241.197241
where:
bonds (distance) C4'-P energy: -74.135
bonds (distance) P-C4' energy: -86.449
flat angles C4'-P-C4' energy: -63.308
flat angles P-C4'-P energy: -39.572
tors. eta vs tors. theta energy: 22.267
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1175.613808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.613808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.613808 (E_RNA)
where:
Base-Base interactions energy: -687.226
where: short stacking energy: -413.264
Base-Backbone interact. energy: -0.731
local terms energy: -487.656229
where:
bonds (distance) C4'-P energy: -91.088
bonds (distance) P-C4' energy: -95.335
flat angles C4'-P-C4' energy: -103.033
flat angles P-C4'-P energy: -74.627
tors. eta vs tors. theta energy: -123.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1093.975083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.975083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.975083 (E_RNA)
where:
Base-Base interactions energy: -632.231
where: short stacking energy: -377.988
Base-Backbone interact. energy: -2.249
local terms energy: -459.494142
where:
bonds (distance) C4'-P energy: -98.656
bonds (distance) P-C4' energy: -91.995
flat angles C4'-P-C4' energy: -107.827
flat angles P-C4'-P energy: -56.699
tors. eta vs tors. theta energy: -104.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -979.098075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.098075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.098075 (E_RNA)
where:
Base-Base interactions energy: -561.844
where: short stacking energy: -332.294
Base-Backbone interact. energy: -1.491
local terms energy: -415.763389
where:
bonds (distance) C4'-P energy: -88.936
bonds (distance) P-C4' energy: -96.850
flat angles C4'-P-C4' energy: -86.076
flat angles P-C4'-P energy: -59.530
tors. eta vs tors. theta energy: -84.371
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: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -853.415265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.415265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.415265 (E_RNA)
where:
Base-Base interactions energy: -477.380
where: short stacking energy: -291.447
Base-Backbone interact. energy: 0.863
local terms energy: -376.898444
where:
bonds (distance) C4'-P energy: -87.590
bonds (distance) P-C4' energy: -77.588
flat angles C4'-P-C4' energy: -89.237
flat angles P-C4'-P energy: -55.069
tors. eta vs tors. theta energy: -67.414
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: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -682.236799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.236799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.236799 (E_RNA)
where:
Base-Base interactions energy: -335.032
where: short stacking energy: -224.144
Base-Backbone interact. energy: -0.027
local terms energy: -347.177780
where:
bonds (distance) C4'-P energy: -92.567
bonds (distance) P-C4' energy: -81.957
flat angles C4'-P-C4' energy: -83.123
flat angles P-C4'-P energy: -55.654
tors. eta vs tors. theta energy: -33.877
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: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -558.744005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.744005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.744005 (E_RNA)
where:
Base-Base interactions energy: -252.090
where: short stacking energy: -184.735
Base-Backbone interact. energy: -0.708
local terms energy: -305.946527
where:
bonds (distance) C4'-P energy: -72.407
bonds (distance) P-C4' energy: -82.421
flat angles C4'-P-C4' energy: -89.778
flat angles P-C4'-P energy: -33.720
tors. eta vs tors. theta energy: -27.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -455.910777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.910777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.910777 (E_RNA)
where:
Base-Base interactions energy: -178.421
where: short stacking energy: -138.765
Base-Backbone interact. energy: -0.547
local terms energy: -276.943178
where:
bonds (distance) C4'-P energy: -84.749
bonds (distance) P-C4' energy: -67.780
flat angles C4'-P-C4' energy: -77.910
flat angles P-C4'-P energy: -34.874
tors. eta vs tors. theta energy: -11.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -398.237582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.237582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.237582 (E_RNA)
where:
Base-Base interactions energy: -139.030
where: short stacking energy: -126.185
Base-Backbone interact. energy: -1.437
local terms energy: -257.769609
where:
bonds (distance) C4'-P energy: -76.701
bonds (distance) P-C4' energy: -79.078
flat angles C4'-P-C4' energy: -58.277
flat angles P-C4'-P energy: -49.494
tors. eta vs tors. theta energy: 5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -364.411640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.411640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.411640 (E_RNA)
where:
Base-Base interactions energy: -122.633
where: short stacking energy: -95.537
Base-Backbone interact. energy: -0.910
local terms energy: -240.868653
where:
bonds (distance) C4'-P energy: -68.528
bonds (distance) P-C4' energy: -82.045
flat angles C4'-P-C4' energy: -73.747
flat angles P-C4'-P energy: -35.534
tors. eta vs tors. theta energy: 18.986
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: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -339.541948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.541948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.541948 (E_RNA)
where:
Base-Base interactions energy: -99.182
where: short stacking energy: -90.081
Base-Backbone interact. energy: -1.901
local terms energy: -238.458174
where:
bonds (distance) C4'-P energy: -83.889
bonds (distance) P-C4' energy: -76.043
flat angles C4'-P-C4' energy: -54.357
flat angles P-C4'-P energy: -40.219
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1182.693630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.693630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.693630 (E_RNA)
where:
Base-Base interactions energy: -693.839
where: short stacking energy: -405.120
Base-Backbone interact. energy: -0.667
local terms energy: -488.187279
where:
bonds (distance) C4'-P energy: -100.302
bonds (distance) P-C4' energy: -85.926
flat angles C4'-P-C4' energy: -101.765
flat angles P-C4'-P energy: -79.429
tors. eta vs tors. theta energy: -120.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1120.857038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.857038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.857038 (E_RNA)
where:
Base-Base interactions energy: -656.998
where: short stacking energy: -410.455
Base-Backbone interact. energy: 0.918
local terms energy: -464.777157
where:
bonds (distance) C4'-P energy: -94.843
bonds (distance) P-C4' energy: -87.680
flat angles C4'-P-C4' energy: -96.358
flat angles P-C4'-P energy: -66.043
tors. eta vs tors. theta energy: -119.853
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: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -947.192918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.192918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.192918 (E_RNA)
where:
Base-Base interactions energy: -547.870
where: short stacking energy: -309.751
Base-Backbone interact. energy: -2.245
local terms energy: -397.078877
where:
bonds (distance) C4'-P energy: -79.686
bonds (distance) P-C4' energy: -100.050
flat angles C4'-P-C4' energy: -80.879
flat angles P-C4'-P energy: -52.691
tors. eta vs tors. theta energy: -83.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -840.372935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.372935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.372935 (E_RNA)
where:
Base-Base interactions energy: -450.838
where: short stacking energy: -297.103
Base-Backbone interact. energy: -1.319
local terms energy: -388.216045
where:
bonds (distance) C4'-P energy: -83.597
bonds (distance) P-C4' energy: -90.785
flat angles C4'-P-C4' energy: -97.539
flat angles P-C4'-P energy: -46.341
tors. eta vs tors. theta energy: -69.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -637.764111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.764111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.764111 (E_RNA)
where:
Base-Base interactions energy: -316.683
where: short stacking energy: -185.170
Base-Backbone interact. energy: -0.390
local terms energy: -320.691536
where:
bonds (distance) C4'-P energy: -81.538
bonds (distance) P-C4' energy: -91.331
flat angles C4'-P-C4' energy: -74.238
flat angles P-C4'-P energy: -51.241
tors. eta vs tors. theta energy: -22.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -572.280331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.280331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.280331 (E_RNA)
where:
Base-Base interactions energy: -233.229
where: short stacking energy: -186.824
Base-Backbone interact. energy: -1.641
local terms energy: -337.409698
where:
bonds (distance) C4'-P energy: -68.538
bonds (distance) P-C4' energy: -88.337
flat angles C4'-P-C4' energy: -85.244
flat angles P-C4'-P energy: -63.926
tors. eta vs tors. theta energy: -31.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -471.466766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.466766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.466766 (E_RNA)
where:
Base-Base interactions energy: -175.177
where: short stacking energy: -145.128
Base-Backbone interact. energy: -1.706
local terms energy: -294.583664
where:
bonds (distance) C4'-P energy: -71.473
bonds (distance) P-C4' energy: -87.266
flat angles C4'-P-C4' energy: -73.034
flat angles P-C4'-P energy: -47.879
tors. eta vs tors. theta energy: -14.932
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: 7
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -441.977410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.977410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.977410 (E_RNA)
where:
Base-Base interactions energy: -165.967
where: short stacking energy: -127.746
Base-Backbone interact. energy: -0.430
local terms energy: -275.580459
where:
bonds (distance) C4'-P energy: -78.064
bonds (distance) P-C4' energy: -96.294
flat angles C4'-P-C4' energy: -73.753
flat angles P-C4'-P energy: -24.230
tors. eta vs tors. theta energy: -3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -414.135028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.135028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.135028 (E_RNA)
where:
Base-Base interactions energy: -139.866
where: short stacking energy: -130.935
Base-Backbone interact. energy: -1.358
local terms energy: -272.910968
where:
bonds (distance) C4'-P energy: -75.846
bonds (distance) P-C4' energy: -67.686
flat angles C4'-P-C4' energy: -83.810
flat angles P-C4'-P energy: -44.920
tors. eta vs tors. theta energy: -0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -360.531707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.531707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.531707 (E_RNA)
where:
Base-Base interactions energy: -110.008
where: short stacking energy: -86.277
Base-Backbone interact. energy: 1.297
local terms energy: -251.820793
where:
bonds (distance) C4'-P energy: -87.862
bonds (distance) P-C4' energy: -87.041
flat angles C4'-P-C4' energy: -60.008
flat angles P-C4'-P energy: -39.013
tors. eta vs tors. theta energy: 22.103
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1153.215210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.215210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.215210 (E_RNA)
where:
Base-Base interactions energy: -673.801
where: short stacking energy: -386.526
Base-Backbone interact. energy: -1.096
local terms energy: -478.318884
where:
bonds (distance) C4'-P energy: -97.662
bonds (distance) P-C4' energy: -90.782
flat angles C4'-P-C4' energy: -102.760
flat angles P-C4'-P energy: -70.508
tors. eta vs tors. theta energy: -116.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1087.144456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.144456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.144456 (E_RNA)
where:
Base-Base interactions energy: -623.339
where: short stacking energy: -366.679
Base-Backbone interact. energy: -2.349
local terms energy: -461.457015
where:
bonds (distance) C4'-P energy: -90.282
bonds (distance) P-C4' energy: -97.457
flat angles C4'-P-C4' energy: -97.854
flat angles P-C4'-P energy: -76.496
tors. eta vs tors. theta energy: -99.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1001.836214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.836214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.836214 (E_RNA)
where:
Base-Base interactions energy: -581.129
where: short stacking energy: -340.832
Base-Backbone interact. energy: 0.292
local terms energy: -420.999019
where:
bonds (distance) C4'-P energy: -84.947
bonds (distance) P-C4' energy: -99.580
flat angles C4'-P-C4' energy: -99.312
flat angles P-C4'-P energy: -53.574
tors. eta vs tors. theta energy: -83.585
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: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -826.119064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.119064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.119064 (E_RNA)
where:
Base-Base interactions energy: -437.904
where: short stacking energy: -293.028
Base-Backbone interact. energy: -0.597
local terms energy: -387.617728
where:
bonds (distance) C4'-P energy: -72.487
bonds (distance) P-C4' energy: -97.883
flat angles C4'-P-C4' energy: -81.165
flat angles P-C4'-P energy: -61.729
tors. eta vs tors. theta energy: -74.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -691.363764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.363764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.363764 (E_RNA)
where:
Base-Base interactions energy: -330.143
where: short stacking energy: -217.496
Base-Backbone interact. energy: 3.067
local terms energy: -364.287517
where:
bonds (distance) C4'-P energy: -88.160
bonds (distance) P-C4' energy: -86.661
flat angles C4'-P-C4' energy: -91.671
flat angles P-C4'-P energy: -50.810
tors. eta vs tors. theta energy: -46.984
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: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -592.175488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.175488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.175488 (E_RNA)
where:
Base-Base interactions energy: -297.470
where: short stacking energy: -178.007
Base-Backbone interact. energy: -1.875
local terms energy: -292.830628
where:
bonds (distance) C4'-P energy: -66.906
bonds (distance) P-C4' energy: -83.948
flat angles C4'-P-C4' energy: -73.366
flat angles P-C4'-P energy: -46.667
tors. eta vs tors. theta energy: -21.943
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: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -451.127323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.127323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.127323 (E_RNA)
where:
Base-Base interactions energy: -162.262
where: short stacking energy: -150.409
Base-Backbone interact. energy: -1.236
local terms energy: -287.630150
where:
bonds (distance) C4'-P energy: -78.551
bonds (distance) P-C4' energy: -78.035
flat angles C4'-P-C4' energy: -78.242
flat angles P-C4'-P energy: -48.241
tors. eta vs tors. theta energy: -4.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -411.612522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.612522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.612522 (E_RNA)
where:
Base-Base interactions energy: -139.469
where: short stacking energy: -113.147
Base-Backbone interact. energy: -1.861
local terms energy: -270.282978
where:
bonds (distance) C4'-P energy: -70.435
bonds (distance) P-C4' energy: -86.111
flat angles C4'-P-C4' energy: -73.022
flat angles P-C4'-P energy: -37.473
tors. eta vs tors. theta energy: -3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -381.663904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.663904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.663904 (E_RNA)
where:
Base-Base interactions energy: -109.330
where: short stacking energy: -106.489
Base-Backbone interact. energy: 2.107
local terms energy: -274.440264
where:
bonds (distance) C4'-P energy: -77.744
bonds (distance) P-C4' energy: -82.726
flat angles C4'-P-C4' energy: -74.287
flat angles P-C4'-P energy: -44.652
tors. eta vs tors. theta energy: 4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -349.875441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.875441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.875441 (E_RNA)
where:
Base-Base interactions energy: -127.708
where: short stacking energy: -108.874
Base-Backbone interact. energy: 2.546
local terms energy: -224.713711
where:
bonds (distance) C4'-P energy: -70.116
bonds (distance) P-C4' energy: -84.526
flat angles C4'-P-C4' energy: -46.780
flat angles P-C4'-P energy: -29.471
tors. eta vs tors. theta energy: 6.180
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1227.890496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.890496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.890496 (E_RNA)
where:
Base-Base interactions energy: -730.090
where: short stacking energy: -452.655
Base-Backbone interact. energy: -0.160
local terms energy: -497.640398
where:
bonds (distance) C4'-P energy: -89.616
bonds (distance) P-C4' energy: -89.642
flat angles C4'-P-C4' energy: -106.064
flat angles P-C4'-P energy: -69.340
tors. eta vs tors. theta energy: -142.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1083.592670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.592670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.592670 (E_RNA)
where:
Base-Base interactions energy: -637.228
where: short stacking energy: -367.611
Base-Backbone interact. energy: -1.048
local terms energy: -445.316175
where:
bonds (distance) C4'-P energy: -89.569
bonds (distance) P-C4' energy: -96.200
flat angles C4'-P-C4' energy: -96.105
flat angles P-C4'-P energy: -68.069
tors. eta vs tors. theta energy: -95.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -945.175647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.175647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.175647 (E_RNA)
where:
Base-Base interactions energy: -526.167
where: short stacking energy: -318.599
Base-Backbone interact. energy: -1.220
local terms energy: -417.789434
where:
bonds (distance) C4'-P energy: -92.622
bonds (distance) P-C4' energy: -89.299
flat angles C4'-P-C4' energy: -91.948
flat angles P-C4'-P energy: -57.688
tors. eta vs tors. theta energy: -86.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -821.271038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.271038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.271038 (E_RNA)
where:
Base-Base interactions energy: -417.576
where: short stacking energy: -281.346
Base-Backbone interact. energy: -1.560
local terms energy: -402.135510
where:
bonds (distance) C4'-P energy: -86.946
bonds (distance) P-C4' energy: -89.864
flat angles C4'-P-C4' energy: -94.344
flat angles P-C4'-P energy: -61.629
tors. eta vs tors. theta energy: -69.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -688.143307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.143307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.143307 (E_RNA)
where:
Base-Base interactions energy: -318.536
where: short stacking energy: -212.059
Base-Backbone interact. energy: -1.410
local terms energy: -368.196860
where:
bonds (distance) C4'-P energy: -88.802
bonds (distance) P-C4' energy: -95.081
flat angles C4'-P-C4' energy: -86.289
flat angles P-C4'-P energy: -53.706
tors. eta vs tors. theta energy: -44.318
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: 423
Temperature: 1.150000
Total energy: -568.365809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.365809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.365809 (E_RNA)
where:
Base-Base interactions energy: -250.069
where: short stacking energy: -173.070
Base-Backbone interact. energy: -1.651
local terms energy: -316.645914
where:
bonds (distance) C4'-P energy: -87.352
bonds (distance) P-C4' energy: -78.144
flat angles C4'-P-C4' energy: -81.211
flat angles P-C4'-P energy: -52.935
tors. eta vs tors. theta energy: -17.004
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: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -443.124457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.124457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.124457 (E_RNA)
where:
Base-Base interactions energy: -164.878
where: short stacking energy: -145.003
Base-Backbone interact. energy: 1.140
local terms energy: -279.386535
where:
bonds (distance) C4'-P energy: -78.760
bonds (distance) P-C4' energy: -79.090
flat angles C4'-P-C4' energy: -84.274
flat angles P-C4'-P energy: -39.923
tors. eta vs tors. theta energy: 2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -413.346751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.346751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.346751 (E_RNA)
where:
Base-Base interactions energy: -124.347
where: short stacking energy: -125.682
Base-Backbone interact. energy: -1.553
local terms energy: -287.447231
where:
bonds (distance) C4'-P energy: -81.733
bonds (distance) P-C4' energy: -87.780
flat angles C4'-P-C4' energy: -70.108
flat angles P-C4'-P energy: -48.816
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: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -393.007795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.007795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.007795 (E_RNA)
where:
Base-Base interactions energy: -116.546
where: short stacking energy: -105.033
Base-Backbone interact. energy: -0.833
local terms energy: -275.628284
where:
bonds (distance) C4'-P energy: -65.959
bonds (distance) P-C4' energy: -92.436
flat angles C4'-P-C4' energy: -80.979
flat angles P-C4'-P energy: -38.405
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: 10, replica: 2
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -344.605191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.605191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.605191 (E_RNA)
where:
Base-Base interactions energy: -123.525
where: short stacking energy: -114.433
Base-Backbone interact. energy: 3.951
local terms energy: -225.031870
where:
bonds (distance) C4'-P energy: -67.763
bonds (distance) P-C4' energy: -83.869
flat angles C4'-P-C4' energy: -56.693
flat angles P-C4'-P energy: -32.494
tors. eta vs tors. theta energy: 15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1189.605332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.605332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.605332 (E_RNA)
where:
Base-Base interactions energy: -709.403
where: short stacking energy: -412.905
Base-Backbone interact. energy: -0.610
local terms energy: -479.591948
where:
bonds (distance) C4'-P energy: -92.740
bonds (distance) P-C4' energy: -98.642
flat angles C4'-P-C4' energy: -95.476
flat angles P-C4'-P energy: -68.175
tors. eta vs tors. theta energy: -124.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1136.206456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.206456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.206456 (E_RNA)
where:
Base-Base interactions energy: -664.152
where: short stacking energy: -377.375
Base-Backbone interact. energy: 2.215
local terms energy: -474.269131
where:
bonds (distance) C4'-P energy: -88.238
bonds (distance) P-C4' energy: -100.426
flat angles C4'-P-C4' energy: -105.475
flat angles P-C4'-P energy: -64.519
tors. eta vs tors. theta energy: -115.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -976.438865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.438865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.438865 (E_RNA)
where:
Base-Base interactions energy: -563.850
where: short stacking energy: -318.623
Base-Backbone interact. energy: 1.998
local terms energy: -414.586838
where:
bonds (distance) C4'-P energy: -80.298
bonds (distance) P-C4' energy: -95.662
flat angles C4'-P-C4' energy: -92.436
flat angles P-C4'-P energy: -65.770
tors. eta vs tors. theta energy: -80.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -806.444279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.444279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.444279 (E_RNA)
where:
Base-Base interactions energy: -422.201
where: short stacking energy: -300.764
Base-Backbone interact. energy: -1.182
local terms energy: -383.061134
where:
bonds (distance) C4'-P energy: -80.513
bonds (distance) P-C4' energy: -91.598
flat angles C4'-P-C4' energy: -89.177
flat angles P-C4'-P energy: -47.117
tors. eta vs tors. theta energy: -74.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -657.449688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.449688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.449688 (E_RNA)
where:
Base-Base interactions energy: -327.659
where: short stacking energy: -220.052
Base-Backbone interact. energy: -0.154
local terms energy: -329.637019
where:
bonds (distance) C4'-P energy: -82.091
bonds (distance) P-C4' energy: -88.246
flat angles C4'-P-C4' energy: -74.265
flat angles P-C4'-P energy: -56.418
tors. eta vs tors. theta energy: -28.617
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: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -613.161172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.161172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.161172 (E_RNA)
where:
Base-Base interactions energy: -296.053
where: short stacking energy: -190.668
Base-Backbone interact. energy: -0.266
local terms energy: -316.842054
where:
bonds (distance) C4'-P energy: -87.050
bonds (distance) P-C4' energy: -93.707
flat angles C4'-P-C4' energy: -71.275
flat angles P-C4'-P energy: -41.925
tors. eta vs tors. theta energy: -22.885
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: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -446.541868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.541868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.541868 (E_RNA)
where:
Base-Base interactions energy: -175.057
where: short stacking energy: -126.754
Base-Backbone interact. energy: 1.288
local terms energy: -272.773171
where:
bonds (distance) C4'-P energy: -81.733
bonds (distance) P-C4' energy: -101.153
flat angles C4'-P-C4' energy: -60.787
flat angles P-C4'-P energy: -37.020
tors. eta vs tors. theta energy: 7.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -424.050366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.050366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.050366 (E_RNA)
where:
Base-Base interactions energy: -150.269
where: short stacking energy: -142.413
Base-Backbone interact. energy: -0.803
local terms energy: -272.977922
where:
bonds (distance) C4'-P energy: -72.875
bonds (distance) P-C4' energy: -79.950
flat angles C4'-P-C4' energy: -82.420
flat angles P-C4'-P energy: -36.060
tors. eta vs tors. theta energy: -1.674
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: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -389.719374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.719374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.719374 (E_RNA)
where:
Base-Base interactions energy: -124.483
where: short stacking energy: -111.028
Base-Backbone interact. energy: 3.532
local terms energy: -268.768644
where:
bonds (distance) C4'-P energy: -81.418
bonds (distance) P-C4' energy: -81.098
flat angles C4'-P-C4' energy: -63.417
flat angles P-C4'-P energy: -32.992
tors. eta vs tors. theta energy: -9.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -354.110923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.110923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.110923 (E_RNA)
where:
Base-Base interactions energy: -132.134
where: short stacking energy: -117.509
Base-Backbone interact. energy: -2.426
local terms energy: -219.550755
where:
bonds (distance) C4'-P energy: -76.886
bonds (distance) P-C4' energy: -61.026
flat angles C4'-P-C4' energy: -67.606
flat angles P-C4'-P energy: -28.701
tors. eta vs tors. theta energy: 14.668
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1189.463884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.463884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.463884 (E_RNA)
where:
Base-Base interactions energy: -726.639
where: short stacking energy: -441.352
Base-Backbone interact. energy: -1.011
local terms energy: -461.813454
where:
bonds (distance) C4'-P energy: -90.657
bonds (distance) P-C4' energy: -92.918
flat angles C4'-P-C4' energy: -94.572
flat angles P-C4'-P energy: -60.675
tors. eta vs tors. theta energy: -122.992
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: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1149.840500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.840500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.840500 (E_RNA)
where:
Base-Base interactions energy: -688.060
where: short stacking energy: -402.360
Base-Backbone interact. energy: 0.583
local terms energy: -462.362995
where:
bonds (distance) C4'-P energy: -84.078
bonds (distance) P-C4' energy: -88.115
flat angles C4'-P-C4' energy: -99.210
flat angles P-C4'-P energy: -72.762
tors. eta vs tors. theta energy: -118.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -976.356304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.356304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.356304 (E_RNA)
where:
Base-Base interactions energy: -545.778
where: short stacking energy: -338.087
Base-Backbone interact. energy: -1.380
local terms energy: -429.198684
where:
bonds (distance) C4'-P energy: -85.205
bonds (distance) P-C4' energy: -95.142
flat angles C4'-P-C4' energy: -90.563
flat angles P-C4'-P energy: -60.084
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: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -790.693774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.693774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.693774 (E_RNA)
where:
Base-Base interactions energy: -417.473
where: short stacking energy: -286.389
Base-Backbone interact. energy: -1.707
local terms energy: -371.514490
where:
bonds (distance) C4'-P energy: -72.162
bonds (distance) P-C4' energy: -80.123
flat angles C4'-P-C4' energy: -95.057
flat angles P-C4'-P energy: -48.213
tors. eta vs tors. theta energy: -75.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -686.060237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.060237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.060237 (E_RNA)
where:
Base-Base interactions energy: -337.306
where: short stacking energy: -215.041
Base-Backbone interact. energy: -0.728
local terms energy: -348.026197
where:
bonds (distance) C4'-P energy: -88.672
bonds (distance) P-C4' energy: -77.420
flat angles C4'-P-C4' energy: -76.161
flat angles P-C4'-P energy: -58.182
tors. eta vs tors. theta energy: -47.591
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: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -627.778349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.778349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.778349 (E_RNA)
where:
Base-Base interactions energy: -290.090
where: short stacking energy: -186.041
Base-Backbone interact. energy: 0.003
local terms energy: -337.691115
where:
bonds (distance) C4'-P energy: -75.100
bonds (distance) P-C4' energy: -76.854
flat angles C4'-P-C4' energy: -86.103
flat angles P-C4'-P energy: -61.815
tors. eta vs tors. theta energy: -37.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -461.820976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.820976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.820976 (E_RNA)
where:
Base-Base interactions energy: -180.886
where: short stacking energy: -148.005
Base-Backbone interact. energy: 0.862
local terms energy: -281.797354
where:
bonds (distance) C4'-P energy: -71.465
bonds (distance) P-C4' energy: -80.317
flat angles C4'-P-C4' energy: -74.726
flat angles P-C4'-P energy: -51.201
tors. eta vs tors. theta energy: -4.087
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: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -391.898035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.898035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.898035 (E_RNA)
where:
Base-Base interactions energy: -133.489
where: short stacking energy: -114.733
Base-Backbone interact. energy: 3.474
local terms energy: -261.883801
where:
bonds (distance) C4'-P energy: -79.989
bonds (distance) P-C4' energy: -89.823
flat angles C4'-P-C4' energy: -55.100
flat angles P-C4'-P energy: -52.241
tors. eta vs tors. theta energy: 15.269
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: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -380.811557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.811557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.811557 (E_RNA)
where:
Base-Base interactions energy: -127.958
where: short stacking energy: -118.173
Base-Backbone interact. energy: 1.271
local terms energy: -254.124875
where:
bonds (distance) C4'-P energy: -67.460
bonds (distance) P-C4' energy: -72.566
flat angles C4'-P-C4' energy: -80.113
flat angles P-C4'-P energy: -35.296
tors. eta vs tors. theta energy: 1.310
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: 2
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -339.475247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.475247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.475247 (E_RNA)
where:
Base-Base interactions energy: -108.959
where: short stacking energy: -95.429
Base-Backbone interact. energy: 4.967
local terms energy: -235.483140
where:
bonds (distance) C4'-P energy: -75.135
bonds (distance) P-C4' energy: -74.226
flat angles C4'-P-C4' energy: -64.134
flat angles P-C4'-P energy: -40.109
tors. eta vs tors. theta energy: 18.121
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1219.770463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.770463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.770463 (E_RNA)
where:
Base-Base interactions energy: -735.720
where: short stacking energy: -427.581
Base-Backbone interact. energy: -0.134
local terms energy: -483.917050
where:
bonds (distance) C4'-P energy: -87.632
bonds (distance) P-C4' energy: -94.099
flat angles C4'-P-C4' energy: -106.138
flat angles P-C4'-P energy: -65.240
tors. eta vs tors. theta energy: -130.808
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: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1154.982896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.982896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.982896 (E_RNA)
where:
Base-Base interactions energy: -683.642
where: short stacking energy: -399.290
Base-Backbone interact. energy: -1.756
local terms energy: -469.584537
where:
bonds (distance) C4'-P energy: -85.556
bonds (distance) P-C4' energy: -94.933
flat angles C4'-P-C4' energy: -97.948
flat angles P-C4'-P energy: -65.045
tors. eta vs tors. theta energy: -126.103
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: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -997.934558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.934558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.934558 (E_RNA)
where:
Base-Base interactions energy: -585.518
where: short stacking energy: -362.668
Base-Backbone interact. energy: 0.820
local terms energy: -413.236440
where:
bonds (distance) C4'-P energy: -74.522
bonds (distance) P-C4' energy: -92.305
flat angles C4'-P-C4' energy: -95.888
flat angles P-C4'-P energy: -52.003
tors. eta vs tors. theta energy: -98.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -770.667519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.667519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.667519 (E_RNA)
where:
Base-Base interactions energy: -426.235
where: short stacking energy: -266.993
Base-Backbone interact. energy: -2.365
local terms energy: -342.067060
where:
bonds (distance) C4'-P energy: -77.214
bonds (distance) P-C4' energy: -93.591
flat angles C4'-P-C4' energy: -65.425
flat angles P-C4'-P energy: -52.401
tors. eta vs tors. theta energy: -53.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -719.441740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.441740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.441740 (E_RNA)
where:
Base-Base interactions energy: -361.323
where: short stacking energy: -256.887
Base-Backbone interact. energy: -0.088
local terms energy: -358.030824
where:
bonds (distance) C4'-P energy: -90.436
bonds (distance) P-C4' energy: -85.790
flat angles C4'-P-C4' energy: -81.437
flat angles P-C4'-P energy: -43.963
tors. eta vs tors. theta energy: -56.404
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: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -633.930665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.930665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.930665 (E_RNA)
where:
Base-Base interactions energy: -307.728
where: short stacking energy: -209.231
Base-Backbone interact. energy: -0.438
local terms energy: -325.765364
where:
bonds (distance) C4'-P energy: -82.343
bonds (distance) P-C4' energy: -87.367
flat angles C4'-P-C4' energy: -81.847
flat angles P-C4'-P energy: -32.325
tors. eta vs tors. theta energy: -41.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -445.560540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.560540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.560540 (E_RNA)
where:
Base-Base interactions energy: -152.302
where: short stacking energy: -135.977
Base-Backbone interact. energy: -0.801
local terms energy: -292.456850
where:
bonds (distance) C4'-P energy: -74.598
bonds (distance) P-C4' energy: -78.279
flat angles C4'-P-C4' energy: -86.628
flat angles P-C4'-P energy: -49.073
tors. eta vs tors. theta energy: -3.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -404.291587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.291587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.291587 (E_RNA)
where:
Base-Base interactions energy: -125.469
where: short stacking energy: -109.216
Base-Backbone interact. energy: 0.594
local terms energy: -279.416108
where:
bonds (distance) C4'-P energy: -92.729
bonds (distance) P-C4' energy: -79.581
flat angles C4'-P-C4' energy: -67.788
flat angles P-C4'-P energy: -44.610
tors. eta vs tors. theta energy: 5.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -394.433398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.433398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.433398 (E_RNA)
where:
Base-Base interactions energy: -129.794
where: short stacking energy: -117.603
Base-Backbone interact. energy: -0.806
local terms energy: -263.833866
where:
bonds (distance) C4'-P energy: -71.962
bonds (distance) P-C4' energy: -79.951
flat angles C4'-P-C4' energy: -70.375
flat angles P-C4'-P energy: -43.586
tors. eta vs tors. theta energy: 2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -343.044652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.044652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.044652 (E_RNA)
where:
Base-Base interactions energy: -112.516
where: short stacking energy: -103.808
Base-Backbone interact. energy: -1.344
local terms energy: -229.184648
where:
bonds (distance) C4'-P energy: -75.895
bonds (distance) P-C4' energy: -76.203
flat angles C4'-P-C4' energy: -66.225
flat angles P-C4'-P energy: -24.886
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1218.876877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.876877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.876877 (E_RNA)
where:
Base-Base interactions energy: -740.464
where: short stacking energy: -410.708
Base-Backbone interact. energy: 0.158
local terms energy: -478.570468
where:
bonds (distance) C4'-P energy: -87.811
bonds (distance) P-C4' energy: -93.498
flat angles C4'-P-C4' energy: -102.054
flat angles P-C4'-P energy: -71.704
tors. eta vs tors. theta energy: -123.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1151.457435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.457435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.457435 (E_RNA)
where:
Base-Base interactions energy: -702.554
where: short stacking energy: -416.108
Base-Backbone interact. energy: 1.065
local terms energy: -449.967919
where:
bonds (distance) C4'-P energy: -90.076
bonds (distance) P-C4' energy: -87.983
flat angles C4'-P-C4' energy: -98.489
flat angles P-C4'-P energy: -59.969
tors. eta vs tors. theta energy: -113.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -973.911842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.911842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.911842 (E_RNA)
where:
Base-Base interactions energy: -564.396
where: short stacking energy: -342.818
Base-Backbone interact. energy: -0.600
local terms energy: -408.916286
where:
bonds (distance) C4'-P energy: -80.257
bonds (distance) P-C4' energy: -90.086
flat angles C4'-P-C4' energy: -92.539
flat angles P-C4'-P energy: -52.087
tors. eta vs tors. theta energy: -93.947
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: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -755.702464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.702464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.702464 (E_RNA)
where:
Base-Base interactions energy: -372.223
where: short stacking energy: -250.828
Base-Backbone interact. energy: -0.995
local terms energy: -382.484140
where:
bonds (distance) C4'-P energy: -91.118
bonds (distance) P-C4' energy: -88.900
flat angles C4'-P-C4' energy: -85.776
flat angles P-C4'-P energy: -64.577
tors. eta vs tors. theta energy: -52.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -710.348384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.348384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.348384 (E_RNA)
where:
Base-Base interactions energy: -363.301
where: short stacking energy: -228.898
Base-Backbone interact. energy: 1.541
local terms energy: -348.588910
where:
bonds (distance) C4'-P energy: -70.057
bonds (distance) P-C4' energy: -85.120
flat angles C4'-P-C4' energy: -91.204
flat angles P-C4'-P energy: -50.077
tors. eta vs tors. theta energy: -52.132
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: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -629.477034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.477034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.477034 (E_RNA)
where:
Base-Base interactions energy: -317.124
where: short stacking energy: -214.533
Base-Backbone interact. energy: -1.348
local terms energy: -311.004873
where:
bonds (distance) C4'-P energy: -83.096
bonds (distance) P-C4' energy: -80.278
flat angles C4'-P-C4' energy: -85.002
flat angles P-C4'-P energy: -37.519
tors. eta vs tors. theta energy: -25.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -450.887661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.887661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.887661 (E_RNA)
where:
Base-Base interactions energy: -174.310
where: short stacking energy: -151.657
Base-Backbone interact. energy: -0.511
local terms energy: -276.066744
where:
bonds (distance) C4'-P energy: -71.330
bonds (distance) P-C4' energy: -82.660
flat angles C4'-P-C4' energy: -58.464
flat angles P-C4'-P energy: -55.691
tors. eta vs tors. theta energy: -7.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -424.341247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.341247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.341247 (E_RNA)
where:
Base-Base interactions energy: -147.078
where: short stacking energy: -117.867
Base-Backbone interact. energy: -1.292
local terms energy: -275.970619
where:
bonds (distance) C4'-P energy: -73.283
bonds (distance) P-C4' energy: -84.656
flat angles C4'-P-C4' energy: -77.426
flat angles P-C4'-P energy: -39.887
tors. eta vs tors. theta energy: -0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -388.984985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.984985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.984985 (E_RNA)
where:
Base-Base interactions energy: -126.352
where: short stacking energy: -123.918
Base-Backbone interact. energy: 2.409
local terms energy: -265.042176
where:
bonds (distance) C4'-P energy: -83.899
bonds (distance) P-C4' energy: -83.139
flat angles C4'-P-C4' energy: -76.208
flat angles P-C4'-P energy: -25.580
tors. eta vs tors. theta energy: 3.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -339.334111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.334111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.334111 (E_RNA)
where:
Base-Base interactions energy: -103.257
where: short stacking energy: -93.907
Base-Backbone interact. energy: -1.905
local terms energy: -234.171884
where:
bonds (distance) C4'-P energy: -75.065
bonds (distance) P-C4' energy: -83.974
flat angles C4'-P-C4' energy: -51.689
flat angles P-C4'-P energy: -39.870
tors. eta vs tors. theta energy: 16.427
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1139.956938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.956938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.956938 (E_RNA)
where:
Base-Base interactions energy: -667.229
where: short stacking energy: -409.892
Base-Backbone interact. energy: -2.329
local terms energy: -470.398804
where:
bonds (distance) C4'-P energy: -90.809
bonds (distance) P-C4' energy: -99.903
flat angles C4'-P-C4' energy: -100.280
flat angles P-C4'-P energy: -66.901
tors. eta vs tors. theta energy: -112.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1119.905927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.905927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.905927 (E_RNA)
where:
Base-Base interactions energy: -671.931
where: short stacking energy: -370.885
Base-Backbone interact. energy: -1.079
local terms energy: -446.895951
where:
bonds (distance) C4'-P energy: -73.251
bonds (distance) P-C4' energy: -89.254
flat angles C4'-P-C4' energy: -94.904
flat angles P-C4'-P energy: -68.859
tors. eta vs tors. theta energy: -120.628
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: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -941.779924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.779924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.779924 (E_RNA)
where:
Base-Base interactions energy: -517.523
where: short stacking energy: -322.221
Base-Backbone interact. energy: -1.103
local terms energy: -423.153548
where:
bonds (distance) C4'-P energy: -85.704
bonds (distance) P-C4' energy: -87.921
flat angles C4'-P-C4' energy: -100.526
flat angles P-C4'-P energy: -61.771
tors. eta vs tors. theta energy: -87.232
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: 5
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -751.716301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.716301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.716301 (E_RNA)
where:
Base-Base interactions energy: -374.678
where: short stacking energy: -275.380
Base-Backbone interact. energy: 1.621
local terms energy: -378.659650
where:
bonds (distance) C4'-P energy: -76.450
bonds (distance) P-C4' energy: -95.387
flat angles C4'-P-C4' energy: -87.028
flat angles P-C4'-P energy: -56.364
tors. eta vs tors. theta energy: -63.431
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: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -729.768440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.768440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.768440 (E_RNA)
where:
Base-Base interactions energy: -375.662
where: short stacking energy: -239.460
Base-Backbone interact. energy: 1.157
local terms energy: -355.263970
where:
bonds (distance) C4'-P energy: -66.574
bonds (distance) P-C4' energy: -92.562
flat angles C4'-P-C4' energy: -93.520
flat angles P-C4'-P energy: -52.097
tors. eta vs tors. theta energy: -50.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -615.391105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.391105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.391105 (E_RNA)
where:
Base-Base interactions energy: -294.754
where: short stacking energy: -186.880
Base-Backbone interact. energy: 2.847
local terms energy: -323.483931
where:
bonds (distance) C4'-P energy: -83.472
bonds (distance) P-C4' energy: -88.560
flat angles C4'-P-C4' energy: -67.762
flat angles P-C4'-P energy: -51.758
tors. eta vs tors. theta energy: -31.931
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: 2
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -442.501893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.501893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.501893 (E_RNA)
where:
Base-Base interactions energy: -166.431
where: short stacking energy: -146.551
Base-Backbone interact. energy: -1.785
local terms energy: -274.286849
where:
bonds (distance) C4'-P energy: -76.512
bonds (distance) P-C4' energy: -91.061
flat angles C4'-P-C4' energy: -64.450
flat angles P-C4'-P energy: -34.835
tors. eta vs tors. theta energy: -7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -400.966989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.966989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.966989 (E_RNA)
where:
Base-Base interactions energy: -156.592
where: short stacking energy: -128.715
Base-Backbone interact. energy: 0.936
local terms energy: -245.310645
where:
bonds (distance) C4'-P energy: -69.638
bonds (distance) P-C4' energy: -78.041
flat angles C4'-P-C4' energy: -60.970
flat angles P-C4'-P energy: -37.897
tors. eta vs tors. theta energy: 1.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -365.141313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.141313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.141313 (E_RNA)
where:
Base-Base interactions energy: -114.859
where: short stacking energy: -94.318
Base-Backbone interact. energy: 4.395
local terms energy: -254.678197
where:
bonds (distance) C4'-P energy: -77.727
bonds (distance) P-C4' energy: -88.913
flat angles C4'-P-C4' energy: -66.656
flat angles P-C4'-P energy: -34.386
tors. eta vs tors. theta energy: 13.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -350.577987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.577987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.577987 (E_RNA)
where:
Base-Base interactions energy: -118.932
where: short stacking energy: -107.228
Base-Backbone interact. energy: -1.105
local terms energy: -230.541717
where:
bonds (distance) C4'-P energy: -81.809
bonds (distance) P-C4' energy: -68.853
flat angles C4'-P-C4' energy: -50.153
flat angles P-C4'-P energy: -39.104
tors. eta vs tors. theta energy: 9.377
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1181.341686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.341686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.341686 (E_RNA)
where:
Base-Base interactions energy: -687.182
where: short stacking energy: -399.906
Base-Backbone interact. energy: -0.724
local terms energy: -493.435349
where:
bonds (distance) C4'-P energy: -100.439
bonds (distance) P-C4' energy: -89.263
flat angles C4'-P-C4' energy: -105.732
flat angles P-C4'-P energy: -73.182
tors. eta vs tors. theta energy: -124.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1078.868480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.868480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.868480 (E_RNA)
where:
Base-Base interactions energy: -627.650
where: short stacking energy: -373.440
Base-Backbone interact. energy: -0.752
local terms energy: -450.465899
where:
bonds (distance) C4'-P energy: -89.881
bonds (distance) P-C4' energy: -89.231
flat angles C4'-P-C4' energy: -103.873
flat angles P-C4'-P energy: -52.394
tors. eta vs tors. theta energy: -115.086
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: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -932.180042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.180042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.180042 (E_RNA)
where:
Base-Base interactions energy: -512.734
where: short stacking energy: -327.579
Base-Backbone interact. energy: -0.672
local terms energy: -418.773994
where:
bonds (distance) C4'-P energy: -85.108
bonds (distance) P-C4' energy: -93.466
flat angles C4'-P-C4' energy: -97.223
flat angles P-C4'-P energy: -46.029
tors. eta vs tors. theta energy: -96.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -735.045440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.045440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.045440 (E_RNA)
where:
Base-Base interactions energy: -353.601
where: short stacking energy: -245.069
Base-Backbone interact. energy: 0.606
local terms energy: -382.050524
where:
bonds (distance) C4'-P energy: -77.380
bonds (distance) P-C4' energy: -93.837
flat angles C4'-P-C4' energy: -90.333
flat angles P-C4'-P energy: -61.571
tors. eta vs tors. theta energy: -58.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -701.438304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.438304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.438304 (E_RNA)
where:
Base-Base interactions energy: -356.170
where: short stacking energy: -227.996
Base-Backbone interact. energy: -0.367
local terms energy: -344.900613
where:
bonds (distance) C4'-P energy: -72.000
bonds (distance) P-C4' energy: -92.370
flat angles C4'-P-C4' energy: -79.143
flat angles P-C4'-P energy: -56.288
tors. eta vs tors. theta energy: -45.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -599.274866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.274866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.274866 (E_RNA)
where:
Base-Base interactions energy: -285.585
where: short stacking energy: -181.383
Base-Backbone interact. energy: -0.301
local terms energy: -313.389111
where:
bonds (distance) C4'-P energy: -82.891
bonds (distance) P-C4' energy: -86.764
flat angles C4'-P-C4' energy: -84.624
flat angles P-C4'-P energy: -33.793
tors. eta vs tors. theta energy: -25.316
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: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -477.376766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.376766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.376766 (E_RNA)
where:
Base-Base interactions energy: -180.808
where: short stacking energy: -160.713
Base-Backbone interact. energy: 1.174
local terms energy: -297.742438
where:
bonds (distance) C4'-P energy: -88.963
bonds (distance) P-C4' energy: -77.394
flat angles C4'-P-C4' energy: -86.837
flat angles P-C4'-P energy: -28.385
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -445.673798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.673798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.673798 (E_RNA)
where:
Base-Base interactions energy: -176.878
where: short stacking energy: -120.418
Base-Backbone interact. energy: -2.283
local terms energy: -266.512728
where:
bonds (distance) C4'-P energy: -71.840
bonds (distance) P-C4' energy: -93.143
flat angles C4'-P-C4' energy: -66.582
flat angles P-C4'-P energy: -48.681
tors. eta vs tors. theta energy: 13.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -376.097452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.097452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.097452 (E_RNA)
where:
Base-Base interactions energy: -129.414
where: short stacking energy: -119.692
Base-Backbone interact. energy: -0.634
local terms energy: -246.048985
where:
bonds (distance) C4'-P energy: -70.597
bonds (distance) P-C4' energy: -79.043
flat angles C4'-P-C4' energy: -61.748
flat angles P-C4'-P energy: -43.626
tors. eta vs tors. theta energy: 8.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -355.928092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.928092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.928092 (E_RNA)
where:
Base-Base interactions energy: -104.945
where: short stacking energy: -89.665
Base-Backbone interact. energy: -1.105
local terms energy: -249.878654
where:
bonds (distance) C4'-P energy: -94.263
bonds (distance) P-C4' energy: -65.008
flat angles C4'-P-C4' energy: -71.685
flat angles P-C4'-P energy: -34.344
tors. eta vs tors. theta energy: 15.422
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1152.426436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.426436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.426436 (E_RNA)
where:
Base-Base interactions energy: -676.496
where: short stacking energy: -398.513
Base-Backbone interact. energy: -2.237
local terms energy: -473.693078
where:
bonds (distance) C4'-P energy: -90.638
bonds (distance) P-C4' energy: -89.882
flat angles C4'-P-C4' energy: -107.999
flat angles P-C4'-P energy: -73.461
tors. eta vs tors. theta energy: -111.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1108.707022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.707022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.707022 (E_RNA)
where:
Base-Base interactions energy: -658.739
where: short stacking energy: -396.983
Base-Backbone interact. energy: -0.577
local terms energy: -449.390642
where:
bonds (distance) C4'-P energy: -86.702
bonds (distance) P-C4' energy: -88.318
flat angles C4'-P-C4' energy: -96.040
flat angles P-C4'-P energy: -64.889
tors. eta vs tors. theta energy: -113.442
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: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -990.124985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.124985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.124985 (E_RNA)
where:
Base-Base interactions energy: -562.629
where: short stacking energy: -334.643
Base-Backbone interact. energy: -0.368
local terms energy: -427.128365
where:
bonds (distance) C4'-P energy: -77.826
bonds (distance) P-C4' energy: -80.325
flat angles C4'-P-C4' energy: -109.954
flat angles P-C4'-P energy: -56.739
tors. eta vs tors. theta energy: -102.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -772.401208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.401208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.401208 (E_RNA)
where:
Base-Base interactions energy: -389.469
where: short stacking energy: -257.875
Base-Backbone interact. energy: -2.677
local terms energy: -380.254456
where:
bonds (distance) C4'-P energy: -87.915
bonds (distance) P-C4' energy: -91.200
flat angles C4'-P-C4' energy: -95.249
flat angles P-C4'-P energy: -59.276
tors. eta vs tors. theta energy: -46.614
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: 5, replica: 3
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -730.505531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.505531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.505531 (E_RNA)
where:
Base-Base interactions energy: -391.391
where: short stacking energy: -245.719
Base-Backbone interact. energy: -2.495
local terms energy: -336.619083
where:
bonds (distance) C4'-P energy: -76.592
bonds (distance) P-C4' energy: -98.694
flat angles C4'-P-C4' energy: -83.064
flat angles P-C4'-P energy: -41.483
tors. eta vs tors. theta energy: -36.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -586.922917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.922917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.922917 (E_RNA)
where:
Base-Base interactions energy: -257.308
where: short stacking energy: -178.841
Base-Backbone interact. energy: 2.170
local terms energy: -331.784664
where:
bonds (distance) C4'-P energy: -97.772
bonds (distance) P-C4' energy: -70.767
flat angles C4'-P-C4' energy: -74.586
flat angles P-C4'-P energy: -44.686
tors. eta vs tors. theta energy: -43.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -473.215124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.215124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.215124 (E_RNA)
where:
Base-Base interactions energy: -178.663
where: short stacking energy: -129.557
Base-Backbone interact. energy: 0.665
local terms energy: -295.217214
where:
bonds (distance) C4'-P energy: -83.852
bonds (distance) P-C4' energy: -84.286
flat angles C4'-P-C4' energy: -69.121
flat angles P-C4'-P energy: -42.515
tors. eta vs tors. theta energy: -15.443
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: 8, replica: 2
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -421.137868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.137868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.137868 (E_RNA)
where:
Base-Base interactions energy: -120.416
where: short stacking energy: -103.899
Base-Backbone interact. energy: 7.373
local terms energy: -308.094462
where:
bonds (distance) C4'-P energy: -90.988
bonds (distance) P-C4' energy: -90.571
flat angles C4'-P-C4' energy: -73.891
flat angles P-C4'-P energy: -51.030
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: 9, replica: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -378.073998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.073998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.073998 (E_RNA)
where:
Base-Base interactions energy: -117.605
where: short stacking energy: -101.303
Base-Backbone interact. energy: -2.517
local terms energy: -257.951699
where:
bonds (distance) C4'-P energy: -86.272
bonds (distance) P-C4' energy: -72.948
flat angles C4'-P-C4' energy: -83.075
flat angles P-C4'-P energy: -32.995
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: 10, replica: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -344.447695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.447695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.447695 (E_RNA)
where:
Base-Base interactions energy: -103.025
where: short stacking energy: -97.882
Base-Backbone interact. energy: -1.678
local terms energy: -239.744877
where:
bonds (distance) C4'-P energy: -77.220
bonds (distance) P-C4' energy: -74.539
flat angles C4'-P-C4' energy: -61.776
flat angles P-C4'-P energy: -38.199
tors. eta vs tors. theta energy: 11.990
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1162.462717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.462717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.462717 (E_RNA)
where:
Base-Base interactions energy: -682.532
where: short stacking energy: -389.442
Base-Backbone interact. energy: 0.332
local terms energy: -480.262911
where:
bonds (distance) C4'-P energy: -97.015
bonds (distance) P-C4' energy: -95.441
flat angles C4'-P-C4' energy: -100.799
flat angles P-C4'-P energy: -69.739
tors. eta vs tors. theta energy: -117.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1144.170933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.170933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.170933 (E_RNA)
where:
Base-Base interactions energy: -677.585
where: short stacking energy: -422.887
Base-Backbone interact. energy: -0.249
local terms energy: -466.337679
where:
bonds (distance) C4'-P energy: -99.275
bonds (distance) P-C4' energy: -93.940
flat angles C4'-P-C4' energy: -101.953
flat angles P-C4'-P energy: -56.111
tors. eta vs tors. theta energy: -115.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -993.730955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.730955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.730955 (E_RNA)
where:
Base-Base interactions energy: -571.910
where: short stacking energy: -342.655
Base-Backbone interact. energy: -1.176
local terms energy: -420.644023
where:
bonds (distance) C4'-P energy: -86.943
bonds (distance) P-C4' energy: -96.957
flat angles C4'-P-C4' energy: -77.595
flat angles P-C4'-P energy: -56.441
tors. eta vs tors. theta energy: -102.708
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: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -761.187928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.187928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.187928 (E_RNA)
where:
Base-Base interactions energy: -413.398
where: short stacking energy: -272.682
Base-Backbone interact. energy: -1.011
local terms energy: -346.779426
where:
bonds (distance) C4'-P energy: -70.245
bonds (distance) P-C4' energy: -81.560
flat angles C4'-P-C4' energy: -74.997
flat angles P-C4'-P energy: -63.505
tors. eta vs tors. theta energy: -56.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -757.806229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.806229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.806229 (E_RNA)
where:
Base-Base interactions energy: -416.369
where: short stacking energy: -246.446
Base-Backbone interact. energy: -2.681
local terms energy: -338.757053
where:
bonds (distance) C4'-P energy: -72.436
bonds (distance) P-C4' energy: -82.308
flat angles C4'-P-C4' energy: -89.209
flat angles P-C4'-P energy: -55.913
tors. eta vs tors. theta energy: -38.892
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: 431
Temperature: 1.150000
Total energy: -658.821641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.821641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.821641 (E_RNA)
where:
Base-Base interactions energy: -316.409
where: short stacking energy: -210.434
Base-Backbone interact. energy: 0.153
local terms energy: -342.565774
where:
bonds (distance) C4'-P energy: -80.762
bonds (distance) P-C4' energy: -86.633
flat angles C4'-P-C4' energy: -87.366
flat angles P-C4'-P energy: -46.738
tors. eta vs tors. theta energy: -41.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -505.888370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.888370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.888370 (E_RNA)
where:
Base-Base interactions energy: -225.707
where: short stacking energy: -158.997
Base-Backbone interact. energy: 3.573
local terms energy: -283.754599
where:
bonds (distance) C4'-P energy: -74.022
bonds (distance) P-C4' energy: -80.301
flat angles C4'-P-C4' energy: -67.925
flat angles P-C4'-P energy: -45.400
tors. eta vs tors. theta energy: -16.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -425.036162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.036162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.036162 (E_RNA)
where:
Base-Base interactions energy: -137.807
where: short stacking energy: -124.537
Base-Backbone interact. energy: 0.048
local terms energy: -287.276623
where:
bonds (distance) C4'-P energy: -63.537
bonds (distance) P-C4' energy: -83.603
flat angles C4'-P-C4' energy: -84.582
flat angles P-C4'-P energy: -51.932
tors. eta vs tors. theta energy: -3.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -424.740607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.740607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.740607 (E_RNA)
where:
Base-Base interactions energy: -142.071
where: short stacking energy: -136.518
Base-Backbone interact. energy: 1.107
local terms energy: -283.777034
where:
bonds (distance) C4'-P energy: -83.918
bonds (distance) P-C4' energy: -77.213
flat angles C4'-P-C4' energy: -54.232
flat angles P-C4'-P energy: -52.739
tors. eta vs tors. theta energy: -15.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -376.283720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.283720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.283720 (E_RNA)
where:
Base-Base interactions energy: -125.230
where: short stacking energy: -121.754
Base-Backbone interact. energy: -0.778
local terms energy: -250.275670
where:
bonds (distance) C4'-P energy: -84.457
bonds (distance) P-C4' energy: -66.644
flat angles C4'-P-C4' energy: -78.922
flat angles P-C4'-P energy: -29.598
tors. eta vs tors. theta energy: 9.345
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1167.828966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.828966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.828966 (E_RNA)
where:
Base-Base interactions energy: -682.546
where: short stacking energy: -414.886
Base-Backbone interact. energy: -1.480
local terms energy: -483.803735
where:
bonds (distance) C4'-P energy: -80.866
bonds (distance) P-C4' energy: -100.454
flat angles C4'-P-C4' energy: -101.423
flat angles P-C4'-P energy: -78.103
tors. eta vs tors. theta energy: -122.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1135.584021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.584021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.584021 (E_RNA)
where:
Base-Base interactions energy: -668.104
where: short stacking energy: -404.723
Base-Backbone interact. energy: -1.204
local terms energy: -466.276229
where:
bonds (distance) C4'-P energy: -81.424
bonds (distance) P-C4' energy: -90.283
flat angles C4'-P-C4' energy: -102.332
flat angles P-C4'-P energy: -67.478
tors. eta vs tors. theta energy: -124.759
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: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -942.334813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.334813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.334813 (E_RNA)
where:
Base-Base interactions energy: -510.284
where: short stacking energy: -315.906
Base-Backbone interact. energy: 1.653
local terms energy: -433.703198
where:
bonds (distance) C4'-P energy: -97.824
bonds (distance) P-C4' energy: -86.149
flat angles C4'-P-C4' energy: -96.345
flat angles P-C4'-P energy: -63.200
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: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -781.820688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.820688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.820688 (E_RNA)
where:
Base-Base interactions energy: -402.432
where: short stacking energy: -261.035
Base-Backbone interact. energy: 1.119
local terms energy: -380.507758
where:
bonds (distance) C4'-P energy: -78.513
bonds (distance) P-C4' energy: -88.467
flat angles C4'-P-C4' energy: -90.967
flat angles P-C4'-P energy: -55.869
tors. eta vs tors. theta energy: -66.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -748.581325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.581325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.581325 (E_RNA)
where:
Base-Base interactions energy: -380.419
where: short stacking energy: -241.145
Base-Backbone interact. energy: -2.775
local terms energy: -365.388084
where:
bonds (distance) C4'-P energy: -77.178
bonds (distance) P-C4' energy: -91.466
flat angles C4'-P-C4' energy: -88.844
flat angles P-C4'-P energy: -55.448
tors. eta vs tors. theta energy: -52.451
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: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -620.336778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.336778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.336778 (E_RNA)
where:
Base-Base interactions energy: -296.071
where: short stacking energy: -207.869
Base-Backbone interact. energy: -1.206
local terms energy: -323.060035
where:
bonds (distance) C4'-P energy: -75.765
bonds (distance) P-C4' energy: -80.907
flat angles C4'-P-C4' energy: -73.339
flat angles P-C4'-P energy: -55.779
tors. eta vs tors. theta energy: -37.269
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: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -479.015780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.015780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.015780 (E_RNA)
where:
Base-Base interactions energy: -206.781
where: short stacking energy: -140.502
Base-Backbone interact. energy: -1.325
local terms energy: -270.909986
where:
bonds (distance) C4'-P energy: -75.693
bonds (distance) P-C4' energy: -72.219
flat angles C4'-P-C4' energy: -71.102
flat angles P-C4'-P energy: -58.517
tors. eta vs tors. theta energy: 6.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -431.474844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.474844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.474844 (E_RNA)
where:
Base-Base interactions energy: -154.367
where: short stacking energy: -141.105
Base-Backbone interact. energy: -1.432
local terms energy: -275.675728
where:
bonds (distance) C4'-P energy: -76.972
bonds (distance) P-C4' energy: -80.021
flat angles C4'-P-C4' energy: -73.086
flat angles P-C4'-P energy: -45.527
tors. eta vs tors. theta energy: -0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -423.535550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.535550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.535550 (E_RNA)
where:
Base-Base interactions energy: -140.029
where: short stacking energy: -133.242
Base-Backbone interact. energy: 0.727
local terms energy: -284.233473
where:
bonds (distance) C4'-P energy: -81.760
bonds (distance) P-C4' energy: -75.566
flat angles C4'-P-C4' energy: -77.283
flat angles P-C4'-P energy: -39.820
tors. eta vs tors. theta energy: -9.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -358.924806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.924806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.924806 (E_RNA)
where:
Base-Base interactions energy: -102.806
where: short stacking energy: -96.241
Base-Backbone interact. energy: -0.489
local terms energy: -255.629905
where:
bonds (distance) C4'-P energy: -66.943
bonds (distance) P-C4' energy: -83.308
flat angles C4'-P-C4' energy: -67.359
flat angles P-C4'-P energy: -52.144
tors. eta vs tors. theta energy: 14.124
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1156.026099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.026099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.026099 (E_RNA)
where:
Base-Base interactions energy: -673.171
where: short stacking energy: -410.768
Base-Backbone interact. energy: -1.593
local terms energy: -481.262148
where:
bonds (distance) C4'-P energy: -83.341
bonds (distance) P-C4' energy: -90.984
flat angles C4'-P-C4' energy: -106.863
flat angles P-C4'-P energy: -74.032
tors. eta vs tors. theta energy: -126.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1157.389679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.389679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.389679 (E_RNA)
where:
Base-Base interactions energy: -705.984
where: short stacking energy: -415.625
Base-Backbone interact. energy: -1.959
local terms energy: -449.446441
where:
bonds (distance) C4'-P energy: -83.257
bonds (distance) P-C4' energy: -75.009
flat angles C4'-P-C4' energy: -97.611
flat angles P-C4'-P energy: -60.816
tors. eta vs tors. theta energy: -132.755
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: 9
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -936.741549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.741549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.741549 (E_RNA)
where:
Base-Base interactions energy: -500.992
where: short stacking energy: -303.283
Base-Backbone interact. energy: 0.666
local terms energy: -436.415788
where:
bonds (distance) C4'-P energy: -99.727
bonds (distance) P-C4' energy: -100.109
flat angles C4'-P-C4' energy: -98.853
flat angles P-C4'-P energy: -63.517
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: 4, replica: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -784.329587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.329587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.329587 (E_RNA)
where:
Base-Base interactions energy: -423.765
where: short stacking energy: -257.651
Base-Backbone interact. energy: -1.414
local terms energy: -359.150767
where:
bonds (distance) C4'-P energy: -84.638
bonds (distance) P-C4' energy: -84.354
flat angles C4'-P-C4' energy: -77.258
flat angles P-C4'-P energy: -50.097
tors. eta vs tors. theta energy: -62.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -760.044784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.044784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.044784 (E_RNA)
where:
Base-Base interactions energy: -383.657
where: short stacking energy: -271.238
Base-Backbone interact. energy: 1.257
local terms energy: -377.644859
where:
bonds (distance) C4'-P energy: -86.233
bonds (distance) P-C4' energy: -81.590
flat angles C4'-P-C4' energy: -84.951
flat angles P-C4'-P energy: -60.722
tors. eta vs tors. theta energy: -64.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -591.123583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.123583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.123583 (E_RNA)
where:
Base-Base interactions energy: -269.363
where: short stacking energy: -185.857
Base-Backbone interact. energy: -1.264
local terms energy: -320.496951
where:
bonds (distance) C4'-P energy: -84.275
bonds (distance) P-C4' energy: -85.279
flat angles C4'-P-C4' energy: -77.524
flat angles P-C4'-P energy: -54.343
tors. eta vs tors. theta energy: -19.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -451.404687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.404687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.404687 (E_RNA)
where:
Base-Base interactions energy: -176.195
where: short stacking energy: -122.211
Base-Backbone interact. energy: -1.896
local terms energy: -273.314111
where:
bonds (distance) C4'-P energy: -79.941
bonds (distance) P-C4' energy: -86.612
flat angles C4'-P-C4' energy: -59.127
flat angles P-C4'-P energy: -44.278
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -400.905429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.905429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.905429 (E_RNA)
where:
Base-Base interactions energy: -133.602
where: short stacking energy: -120.076
Base-Backbone interact. energy: -2.261
local terms energy: -265.042024
where:
bonds (distance) C4'-P energy: -83.707
bonds (distance) P-C4' energy: -86.230
flat angles C4'-P-C4' energy: -83.313
flat angles P-C4'-P energy: -17.500
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: 2
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -369.176642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.176642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.176642 (E_RNA)
where:
Base-Base interactions energy: -129.134
where: short stacking energy: -121.082
Base-Backbone interact. energy: 3.297
local terms energy: -243.338824
where:
bonds (distance) C4'-P energy: -68.723
bonds (distance) P-C4' energy: -81.745
flat angles C4'-P-C4' energy: -62.376
flat angles P-C4'-P energy: -32.851
tors. eta vs tors. theta energy: 2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -371.839369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.839369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.839369 (E_RNA)
where:
Base-Base interactions energy: -127.399
where: short stacking energy: -114.317
Base-Backbone interact. energy: 0.542
local terms energy: -244.982276
where:
bonds (distance) C4'-P energy: -81.811
bonds (distance) P-C4' energy: -65.180
flat angles C4'-P-C4' energy: -56.234
flat angles P-C4'-P energy: -45.477
tors. eta vs tors. theta energy: 3.719
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1210.181399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.181399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.181399 (E_RNA)
where:
Base-Base interactions energy: -721.842
where: short stacking energy: -443.761
Base-Backbone interact. energy: -0.875
local terms energy: -487.464548
where:
bonds (distance) C4'-P energy: -93.737
bonds (distance) P-C4' energy: -93.383
flat angles C4'-P-C4' energy: -93.072
flat angles P-C4'-P energy: -66.775
tors. eta vs tors. theta energy: -140.499
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: 434
Temperature: 0.950000
Total energy: -1133.758271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.758271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.758271 (E_RNA)
where:
Base-Base interactions energy: -665.667
where: short stacking energy: -392.326
Base-Backbone interact. energy: -1.600
local terms energy: -466.490860
where:
bonds (distance) C4'-P energy: -86.195
bonds (distance) P-C4' energy: -89.091
flat angles C4'-P-C4' energy: -108.838
flat angles P-C4'-P energy: -63.973
tors. eta vs tors. theta energy: -118.393
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: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -930.917050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.917050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.917050 (E_RNA)
where:
Base-Base interactions energy: -535.105
where: short stacking energy: -302.415
Base-Backbone interact. energy: -0.744
local terms energy: -395.067716
where:
bonds (distance) C4'-P energy: -89.913
bonds (distance) P-C4' energy: -73.628
flat angles C4'-P-C4' energy: -87.998
flat angles P-C4'-P energy: -65.462
tors. eta vs tors. theta energy: -78.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -821.839350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.839350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.839350 (E_RNA)
where:
Base-Base interactions energy: -425.350
where: short stacking energy: -273.223
Base-Backbone interact. energy: -0.870
local terms energy: -395.619765
where:
bonds (distance) C4'-P energy: -79.328
bonds (distance) P-C4' energy: -92.101
flat angles C4'-P-C4' energy: -89.104
flat angles P-C4'-P energy: -65.242
tors. eta vs tors. theta energy: -69.845
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: 5
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -728.600316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.600316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.600316 (E_RNA)
where:
Base-Base interactions energy: -366.453
where: short stacking energy: -247.865
Base-Backbone interact. energy: -1.130
local terms energy: -361.016659
where:
bonds (distance) C4'-P energy: -73.756
bonds (distance) P-C4' energy: -101.114
flat angles C4'-P-C4' energy: -80.709
flat angles P-C4'-P energy: -53.012
tors. eta vs tors. theta energy: -52.426
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: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -586.516739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.516739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.516739 (E_RNA)
where:
Base-Base interactions energy: -267.601
where: short stacking energy: -176.092
Base-Backbone interact. energy: -0.514
local terms energy: -318.401956
where:
bonds (distance) C4'-P energy: -86.708
bonds (distance) P-C4' energy: -87.964
flat angles C4'-P-C4' energy: -90.121
flat angles P-C4'-P energy: -35.368
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -446.935670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.935670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.935670 (E_RNA)
where:
Base-Base interactions energy: -157.237
where: short stacking energy: -132.782
Base-Backbone interact. energy: -2.680
local terms energy: -287.018361
where:
bonds (distance) C4'-P energy: -95.987
bonds (distance) P-C4' energy: -75.347
flat angles C4'-P-C4' energy: -84.073
flat angles P-C4'-P energy: -34.122
tors. eta vs tors. theta energy: 2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -420.195030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.195030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.195030 (E_RNA)
where:
Base-Base interactions energy: -131.328
where: short stacking energy: -126.340
Base-Backbone interact. energy: -1.963
local terms energy: -286.903725
where:
bonds (distance) C4'-P energy: -88.481
bonds (distance) P-C4' energy: -83.951
flat angles C4'-P-C4' energy: -72.195
flat angles P-C4'-P energy: -43.352
tors. eta vs tors. theta energy: 1.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -380.132188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.132188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.132188 (E_RNA)
where:
Base-Base interactions energy: -117.898
where: short stacking energy: -101.810
Base-Backbone interact. energy: 5.001
local terms energy: -267.235876
where:
bonds (distance) C4'-P energy: -78.800
bonds (distance) P-C4' energy: -78.809
flat angles C4'-P-C4' energy: -77.562
flat angles P-C4'-P energy: -48.672
tors. eta vs tors. theta energy: 16.607
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: 10, replica: 2
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -382.113337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.113337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.113337 (E_RNA)
where:
Base-Base interactions energy: -131.817
where: short stacking energy: -122.952
Base-Backbone interact. energy: -2.189
local terms energy: -248.107414
where:
bonds (distance) C4'-P energy: -71.684
bonds (distance) P-C4' energy: -76.800
flat angles C4'-P-C4' energy: -73.411
flat angles P-C4'-P energy: -23.539
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1211.906442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.906442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.906442 (E_RNA)
where:
Base-Base interactions energy: -707.167
where: short stacking energy: -442.500
Base-Backbone interact. energy: -0.565
local terms energy: -504.174197
where:
bonds (distance) C4'-P energy: -99.382
bonds (distance) P-C4' energy: -97.008
flat angles C4'-P-C4' energy: -110.382
flat angles P-C4'-P energy: -70.443
tors. eta vs tors. theta energy: -126.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1122.359175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.359175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.359175 (E_RNA)
where:
Base-Base interactions energy: -677.914
where: short stacking energy: -395.379
Base-Backbone interact. energy: -2.091
local terms energy: -442.354167
where:
bonds (distance) C4'-P energy: -80.308
bonds (distance) P-C4' energy: -91.157
flat angles C4'-P-C4' energy: -93.238
flat angles P-C4'-P energy: -67.611
tors. eta vs tors. theta energy: -110.040
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: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -921.210790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.210790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.210790 (E_RNA)
where:
Base-Base interactions energy: -506.437
where: short stacking energy: -305.667
Base-Backbone interact. energy: -0.651
local terms energy: -414.123294
where:
bonds (distance) C4'-P energy: -95.592
bonds (distance) P-C4' energy: -96.992
flat angles C4'-P-C4' energy: -87.107
flat angles P-C4'-P energy: -59.001
tors. eta vs tors. theta energy: -75.432
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: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -752.605068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.605068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.605068 (E_RNA)
where:
Base-Base interactions energy: -388.609
where: short stacking energy: -270.223
Base-Backbone interact. energy: 0.706
local terms energy: -364.701757
where:
bonds (distance) C4'-P energy: -73.316
bonds (distance) P-C4' energy: -86.975
flat angles C4'-P-C4' energy: -88.550
flat angles P-C4'-P energy: -66.546
tors. eta vs tors. theta energy: -49.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -831.503139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.503139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.503139 (E_RNA)
where:
Base-Base interactions energy: -440.620
where: short stacking energy: -288.144
Base-Backbone interact. energy: -0.802
local terms energy: -390.081670
where:
bonds (distance) C4'-P energy: -80.617
bonds (distance) P-C4' energy: -97.479
flat angles C4'-P-C4' energy: -79.655
flat angles P-C4'-P energy: -63.988
tors. eta vs tors. theta energy: -68.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -659.826233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.826233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.826233 (E_RNA)
where:
Base-Base interactions energy: -328.652
where: short stacking energy: -226.073
Base-Backbone interact. energy: -1.946
local terms energy: -329.227533
where:
bonds (distance) C4'-P energy: -75.776
bonds (distance) P-C4' energy: -88.821
flat angles C4'-P-C4' energy: -74.021
flat angles P-C4'-P energy: -46.812
tors. eta vs tors. theta energy: -43.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -441.664424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.664424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.664424 (E_RNA)
where:
Base-Base interactions energy: -135.509
where: short stacking energy: -120.148
Base-Backbone interact. energy: -2.647
local terms energy: -303.508384
where:
bonds (distance) C4'-P energy: -84.531
bonds (distance) P-C4' energy: -86.270
flat angles C4'-P-C4' energy: -77.539
flat angles P-C4'-P energy: -52.507
tors. eta vs tors. theta energy: -2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -407.133076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.133076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.133076 (E_RNA)
where:
Base-Base interactions energy: -144.851
where: short stacking energy: -103.566
Base-Backbone interact. energy: 5.672
local terms energy: -267.953444
where:
bonds (distance) C4'-P energy: -72.431
bonds (distance) P-C4' energy: -82.257
flat angles C4'-P-C4' energy: -73.577
flat angles P-C4'-P energy: -57.364
tors. eta vs tors. theta energy: 17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -389.235437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.235437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.235437 (E_RNA)
where:
Base-Base interactions energy: -110.638
where: short stacking energy: -107.663
Base-Backbone interact. energy: 1.110
local terms energy: -279.707743
where:
bonds (distance) C4'-P energy: -70.977
bonds (distance) P-C4' energy: -97.959
flat angles C4'-P-C4' energy: -73.659
flat angles P-C4'-P energy: -42.125
tors. eta vs tors. theta energy: 5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -372.325662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.325662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.325662 (E_RNA)
where:
Base-Base interactions energy: -116.224
where: short stacking energy: -108.297
Base-Backbone interact. energy: -1.066
local terms energy: -255.035407
where:
bonds (distance) C4'-P energy: -68.512
bonds (distance) P-C4' energy: -82.877
flat angles C4'-P-C4' energy: -95.635
flat angles P-C4'-P energy: -21.521
tors. eta vs tors. theta energy: 13.510
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1170.596723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.596723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.596723 (E_RNA)
where:
Base-Base interactions energy: -682.289
where: short stacking energy: -405.130
Base-Backbone interact. energy: -1.172
local terms energy: -487.135556
where:
bonds (distance) C4'-P energy: -97.987
bonds (distance) P-C4' energy: -102.626
flat angles C4'-P-C4' energy: -97.459
flat angles P-C4'-P energy: -63.664
tors. eta vs tors. theta energy: -125.399
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: 436
Temperature: 0.950000
Total energy: -1164.472335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.472335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.472335 (E_RNA)
where:
Base-Base interactions energy: -679.138
where: short stacking energy: -410.861
Base-Backbone interact. energy: -1.063
local terms energy: -484.271971
where:
bonds (distance) C4'-P energy: -85.457
bonds (distance) P-C4' energy: -95.402
flat angles C4'-P-C4' energy: -109.837
flat angles P-C4'-P energy: -70.943
tors. eta vs tors. theta energy: -122.633
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: 9
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -951.994035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.994035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.994035 (E_RNA)
where:
Base-Base interactions energy: -509.790
where: short stacking energy: -329.141
Base-Backbone interact. energy: -0.231
local terms energy: -441.972658
where:
bonds (distance) C4'-P energy: -91.611
bonds (distance) P-C4' energy: -97.018
flat angles C4'-P-C4' energy: -101.527
flat angles P-C4'-P energy: -59.615
tors. eta vs tors. theta energy: -92.201
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: 4, replica: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -766.705325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.705325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.705325 (E_RNA)
where:
Base-Base interactions energy: -383.039
where: short stacking energy: -269.280
Base-Backbone interact. energy: 0.979
local terms energy: -384.644930
where:
bonds (distance) C4'-P energy: -78.847
bonds (distance) P-C4' energy: -101.786
flat angles C4'-P-C4' energy: -91.465
flat angles P-C4'-P energy: -51.133
tors. eta vs tors. theta energy: -61.414
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: 5, replica: 3
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -803.014079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.014079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.014079 (E_RNA)
where:
Base-Base interactions energy: -455.616
where: short stacking energy: -280.724
Base-Backbone interact. energy: -0.690
local terms energy: -346.707936
where:
bonds (distance) C4'-P energy: -89.503
bonds (distance) P-C4' energy: -81.851
flat angles C4'-P-C4' energy: -74.980
flat angles P-C4'-P energy: -43.348
tors. eta vs tors. theta energy: -57.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -621.195415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.195415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.195415 (E_RNA)
where:
Base-Base interactions energy: -276.120
where: short stacking energy: -193.215
Base-Backbone interact. energy: -0.609
local terms energy: -344.466364
where:
bonds (distance) C4'-P energy: -85.002
bonds (distance) P-C4' energy: -95.021
flat angles C4'-P-C4' energy: -84.011
flat angles P-C4'-P energy: -42.115
tors. eta vs tors. theta energy: -38.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -463.847549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.847549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.847549 (E_RNA)
where:
Base-Base interactions energy: -175.169
where: short stacking energy: -141.849
Base-Backbone interact. energy: 0.086
local terms energy: -288.764250
where:
bonds (distance) C4'-P energy: -66.484
bonds (distance) P-C4' energy: -83.378
flat angles C4'-P-C4' energy: -79.858
flat angles P-C4'-P energy: -43.440
tors. eta vs tors. theta energy: -15.605
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: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -425.223232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.223232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.223232 (E_RNA)
where:
Base-Base interactions energy: -146.418
where: short stacking energy: -127.093
Base-Backbone interact. energy: -0.256
local terms energy: -278.549050
where:
bonds (distance) C4'-P energy: -81.334
bonds (distance) P-C4' energy: -86.374
flat angles C4'-P-C4' energy: -67.308
flat angles P-C4'-P energy: -49.079
tors. eta vs tors. theta energy: 5.546
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: 2
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -379.147175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.147175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.147175 (E_RNA)
where:
Base-Base interactions energy: -125.111
where: short stacking energy: -100.142
Base-Backbone interact. energy: 1.493
local terms energy: -255.528927
where:
bonds (distance) C4'-P energy: -77.206
bonds (distance) P-C4' energy: -84.259
flat angles C4'-P-C4' energy: -73.922
flat angles P-C4'-P energy: -36.503
tors. eta vs tors. theta energy: 16.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -350.464318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.464318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.464318 (E_RNA)
where:
Base-Base interactions energy: -133.492
where: short stacking energy: -115.592
Base-Backbone interact. energy: 0.620
local terms energy: -217.593097
where:
bonds (distance) C4'-P energy: -65.406
bonds (distance) P-C4' energy: -76.982
flat angles C4'-P-C4' energy: -69.855
flat angles P-C4'-P energy: -30.033
tors. eta vs tors. theta energy: 24.683
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1180.457050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.457050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.457050 (E_RNA)
where:
Base-Base interactions energy: -696.727
where: short stacking energy: -425.712
Base-Backbone interact. energy: -0.512
local terms energy: -483.218014
where:
bonds (distance) C4'-P energy: -81.200
bonds (distance) P-C4' energy: -94.747
flat angles C4'-P-C4' energy: -101.090
flat angles P-C4'-P energy: -73.405
tors. eta vs tors. theta energy: -132.776
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: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1128.607083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.607083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.607083 (E_RNA)
where:
Base-Base interactions energy: -660.823
where: short stacking energy: -384.506
Base-Backbone interact. energy: -1.715
local terms energy: -466.068715
where:
bonds (distance) C4'-P energy: -82.890
bonds (distance) P-C4' energy: -100.823
flat angles C4'-P-C4' energy: -104.188
flat angles P-C4'-P energy: -59.663
tors. eta vs tors. theta energy: -118.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -964.247980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.247980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.247980 (E_RNA)
where:
Base-Base interactions energy: -543.870
where: short stacking energy: -338.671
Base-Backbone interact. energy: 1.849
local terms energy: -422.226637
where:
bonds (distance) C4'-P energy: -92.074
bonds (distance) P-C4' energy: -91.973
flat angles C4'-P-C4' energy: -96.887
flat angles P-C4'-P energy: -58.774
tors. eta vs tors. theta energy: -82.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -842.497957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.497957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.497957 (E_RNA)
where:
Base-Base interactions energy: -460.851
where: short stacking energy: -277.243
Base-Backbone interact. energy: -0.538
local terms energy: -381.108892
where:
bonds (distance) C4'-P energy: -97.562
bonds (distance) P-C4' energy: -80.088
flat angles C4'-P-C4' energy: -72.376
flat angles P-C4'-P energy: -53.109
tors. eta vs tors. theta energy: -77.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -710.723359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.723359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.723359 (E_RNA)
where:
Base-Base interactions energy: -357.554
where: short stacking energy: -218.310
Base-Backbone interact. energy: 0.317
local terms energy: -353.486220
where:
bonds (distance) C4'-P energy: -84.625
bonds (distance) P-C4' energy: -81.465
flat angles C4'-P-C4' energy: -92.450
flat angles P-C4'-P energy: -50.076
tors. eta vs tors. theta energy: -44.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -608.288337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.288337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.288337 (E_RNA)
where:
Base-Base interactions energy: -289.301
where: short stacking energy: -194.471
Base-Backbone interact. energy: 0.334
local terms energy: -319.320927
where:
bonds (distance) C4'-P energy: -110.331
bonds (distance) P-C4' energy: -80.721
flat angles C4'-P-C4' energy: -69.234
flat angles P-C4'-P energy: -35.212
tors. eta vs tors. theta energy: -23.821
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: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -492.161771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.161771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.161771 (E_RNA)
where:
Base-Base interactions energy: -180.235
where: short stacking energy: -166.086
Base-Backbone interact. energy: -1.820
local terms energy: -310.106450
where:
bonds (distance) C4'-P energy: -93.111
bonds (distance) P-C4' energy: -84.442
flat angles C4'-P-C4' energy: -72.310
flat angles P-C4'-P energy: -41.326
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -442.609071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.609071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.609071 (E_RNA)
where:
Base-Base interactions energy: -153.736
where: short stacking energy: -145.028
Base-Backbone interact. energy: 2.122
local terms energy: -290.994746
where:
bonds (distance) C4'-P energy: -74.423
bonds (distance) P-C4' energy: -66.768
flat angles C4'-P-C4' energy: -82.852
flat angles P-C4'-P energy: -51.190
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -379.277200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.277200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.277200 (E_RNA)
where:
Base-Base interactions energy: -129.047
where: short stacking energy: -120.336
Base-Backbone interact. energy: -0.724
local terms energy: -249.505823
where:
bonds (distance) C4'-P energy: -72.960
bonds (distance) P-C4' energy: -82.581
flat angles C4'-P-C4' energy: -58.102
flat angles P-C4'-P energy: -34.782
tors. eta vs tors. theta energy: -1.081
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: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -384.882004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.882004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.882004 (E_RNA)
where:
Base-Base interactions energy: -126.582
where: short stacking energy: -107.714
Base-Backbone interact. energy: 3.325
local terms energy: -261.624783
where:
bonds (distance) C4'-P energy: -77.613
bonds (distance) P-C4' energy: -87.134
flat angles C4'-P-C4' energy: -74.788
flat angles P-C4'-P energy: -37.890
tors. eta vs tors. theta energy: 15.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1177.562678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.562678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.562678 (E_RNA)
where:
Base-Base interactions energy: -705.870
where: short stacking energy: -419.822
Base-Backbone interact. energy: -0.969
local terms energy: -470.723797
where:
bonds (distance) C4'-P energy: -73.559
bonds (distance) P-C4' energy: -96.300
flat angles C4'-P-C4' energy: -109.339
flat angles P-C4'-P energy: -67.586
tors. eta vs tors. theta energy: -123.940
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: 2, replica: 4
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1183.194788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.194788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.194788 (E_RNA)
where:
Base-Base interactions energy: -694.503
where: short stacking energy: -398.145
Base-Backbone interact. energy: 0.215
local terms energy: -488.906722
where:
bonds (distance) C4'-P energy: -95.628
bonds (distance) P-C4' energy: -93.994
flat angles C4'-P-C4' energy: -100.035
flat angles P-C4'-P energy: -72.283
tors. eta vs tors. theta energy: -126.967
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: 9
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -940.214687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.214687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.214687 (E_RNA)
where:
Base-Base interactions energy: -510.542
where: short stacking energy: -329.513
Base-Backbone interact. energy: -1.110
local terms energy: -428.562605
where:
bonds (distance) C4'-P energy: -94.637
bonds (distance) P-C4' energy: -87.803
flat angles C4'-P-C4' energy: -98.019
flat angles P-C4'-P energy: -59.135
tors. eta vs tors. theta energy: -88.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -866.354823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.354823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.354823 (E_RNA)
where:
Base-Base interactions energy: -477.429
where: short stacking energy: -311.504
Base-Backbone interact. energy: 0.738
local terms energy: -389.663870
where:
bonds (distance) C4'-P energy: -77.185
bonds (distance) P-C4' energy: -77.757
flat angles C4'-P-C4' energy: -90.930
flat angles P-C4'-P energy: -65.514
tors. eta vs tors. theta energy: -78.278
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: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -672.564469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.564469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.564469 (E_RNA)
where:
Base-Base interactions energy: -326.416
where: short stacking energy: -220.554
Base-Backbone interact. energy: 0.295
local terms energy: -346.443805
where:
bonds (distance) C4'-P energy: -81.415
bonds (distance) P-C4' energy: -88.434
flat angles C4'-P-C4' energy: -80.214
flat angles P-C4'-P energy: -44.617
tors. eta vs tors. theta energy: -51.764
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: 5
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -624.404480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.404480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.404480 (E_RNA)
where:
Base-Base interactions energy: -304.059
where: short stacking energy: -192.682
Base-Backbone interact. energy: -1.581
local terms energy: -318.764331
where:
bonds (distance) C4'-P energy: -81.350
bonds (distance) P-C4' energy: -81.114
flat angles C4'-P-C4' energy: -81.874
flat angles P-C4'-P energy: -46.697
tors. eta vs tors. theta energy: -27.729
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: 7, replica: 1
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -516.026679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.026679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.026679 (E_RNA)
where:
Base-Base interactions energy: -231.328
where: short stacking energy: -155.084
Base-Backbone interact. energy: 0.995
local terms energy: -285.693088
where:
bonds (distance) C4'-P energy: -68.106
bonds (distance) P-C4' energy: -79.958
flat angles C4'-P-C4' energy: -80.780
flat angles P-C4'-P energy: -49.990
tors. eta vs tors. theta energy: -6.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -439.451946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.451946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.451946 (E_RNA)
where:
Base-Base interactions energy: -154.653
where: short stacking energy: -134.305
Base-Backbone interact. energy: -0.460
local terms energy: -284.339689
where:
bonds (distance) C4'-P energy: -74.494
bonds (distance) P-C4' energy: -85.459
flat angles C4'-P-C4' energy: -68.665
flat angles P-C4'-P energy: -49.218
tors. eta vs tors. theta energy: -6.503
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: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -394.509193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.509193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.509193 (E_RNA)
where:
Base-Base interactions energy: -112.095
where: short stacking energy: -107.146
Base-Backbone interact. energy: 3.955
local terms energy: -286.369634
where:
bonds (distance) C4'-P energy: -85.271
bonds (distance) P-C4' energy: -92.334
flat angles C4'-P-C4' energy: -59.674
flat angles P-C4'-P energy: -49.127
tors. eta vs tors. theta energy: 0.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -348.028414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.028414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.028414 (E_RNA)
where:
Base-Base interactions energy: -104.819
where: short stacking energy: -96.871
Base-Backbone interact. energy: 1.702
local terms energy: -244.911955
where:
bonds (distance) C4'-P energy: -70.219
bonds (distance) P-C4' energy: -85.799
flat angles C4'-P-C4' energy: -57.744
flat angles P-C4'-P energy: -39.743
tors. eta vs tors. theta energy: 8.593
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1177.512865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.512865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.512865 (E_RNA)
where:
Base-Base interactions energy: -696.057
where: short stacking energy: -402.090
Base-Backbone interact. energy: -0.130
local terms energy: -481.325921
where:
bonds (distance) C4'-P energy: -90.990
bonds (distance) P-C4' energy: -97.735
flat angles C4'-P-C4' energy: -99.635
flat angles P-C4'-P energy: -70.134
tors. eta vs tors. theta energy: -122.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1147.695003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.695003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.695003 (E_RNA)
where:
Base-Base interactions energy: -673.820
where: short stacking energy: -386.520
Base-Backbone interact. energy: -1.582
local terms energy: -472.293788
where:
bonds (distance) C4'-P energy: -87.792
bonds (distance) P-C4' energy: -91.449
flat angles C4'-P-C4' energy: -103.521
flat angles P-C4'-P energy: -72.101
tors. eta vs tors. theta energy: -117.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1003.489847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.489847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.489847 (E_RNA)
where:
Base-Base interactions energy: -557.804
where: short stacking energy: -334.791
Base-Backbone interact. energy: -1.171
local terms energy: -444.514065
where:
bonds (distance) C4'-P energy: -94.755
bonds (distance) P-C4' energy: -97.521
flat angles C4'-P-C4' energy: -93.896
flat angles P-C4'-P energy: -61.846
tors. eta vs tors. theta energy: -96.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -871.077207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.077207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.077207 (E_RNA)
where:
Base-Base interactions energy: -484.046
where: short stacking energy: -299.954
Base-Backbone interact. energy: -1.476
local terms energy: -385.555581
where:
bonds (distance) C4'-P energy: -86.747
bonds (distance) P-C4' energy: -84.106
flat angles C4'-P-C4' energy: -93.512
flat angles P-C4'-P energy: -47.896
tors. eta vs tors. theta energy: -73.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -702.673015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.673015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.673015 (E_RNA)
where:
Base-Base interactions energy: -351.837
where: short stacking energy: -214.943
Base-Backbone interact. energy: -1.500
local terms energy: -349.336092
where:
bonds (distance) C4'-P energy: -76.569
bonds (distance) P-C4' energy: -87.288
flat angles C4'-P-C4' energy: -78.956
flat angles P-C4'-P energy: -62.883
tors. eta vs tors. theta energy: -43.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -602.306857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.306857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.306857 (E_RNA)
where:
Base-Base interactions energy: -291.341
where: short stacking energy: -183.814
Base-Backbone interact. energy: -1.746
local terms energy: -309.219905
where:
bonds (distance) C4'-P energy: -79.917
bonds (distance) P-C4' energy: -92.033
flat angles C4'-P-C4' energy: -58.182
flat angles P-C4'-P energy: -58.993
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -529.454133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.454133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.454133 (E_RNA)
where:
Base-Base interactions energy: -235.990
where: short stacking energy: -175.529
Base-Backbone interact. energy: -1.978
local terms energy: -291.485823
where:
bonds (distance) C4'-P energy: -86.595
bonds (distance) P-C4' energy: -82.059
flat angles C4'-P-C4' energy: -66.467
flat angles P-C4'-P energy: -40.302
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: 8, replica: 7
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -418.364825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.364825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.364825 (E_RNA)
where:
Base-Base interactions energy: -158.560
where: short stacking energy: -129.393
Base-Backbone interact. energy: -2.446
local terms energy: -257.358113
where:
bonds (distance) C4'-P energy: -82.309
bonds (distance) P-C4' energy: -69.459
flat angles C4'-P-C4' energy: -85.794
flat angles P-C4'-P energy: -24.014
tors. eta vs tors. theta energy: 4.218
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: 2
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -356.451865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.451865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.451865 (E_RNA)
where:
Base-Base interactions energy: -102.784
where: short stacking energy: -93.185
Base-Backbone interact. energy: 0.111
local terms energy: -253.779748
where:
bonds (distance) C4'-P energy: -73.633
bonds (distance) P-C4' energy: -86.849
flat angles C4'-P-C4' energy: -64.600
flat angles P-C4'-P energy: -40.893
tors. eta vs tors. theta energy: 12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -345.048236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.048236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.048236 (E_RNA)
where:
Base-Base interactions energy: -93.446
where: short stacking energy: -78.052
Base-Backbone interact. energy: -0.705
local terms energy: -250.897557
where:
bonds (distance) C4'-P energy: -83.689
bonds (distance) P-C4' energy: -82.258
flat angles C4'-P-C4' energy: -58.381
flat angles P-C4'-P energy: -38.292
tors. eta vs tors. theta energy: 11.722
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1188.179215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.179215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.179215 (E_RNA)
where:
Base-Base interactions energy: -693.105
where: short stacking energy: -417.423
Base-Backbone interact. energy: -2.887
local terms energy: -492.187328
where:
bonds (distance) C4'-P energy: -96.115
bonds (distance) P-C4' energy: -105.078
flat angles C4'-P-C4' energy: -94.857
flat angles P-C4'-P energy: -66.940
tors. eta vs tors. theta energy: -129.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1159.870235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.870235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.870235 (E_RNA)
where:
Base-Base interactions energy: -696.809
where: short stacking energy: -400.702
Base-Backbone interact. energy: 1.245
local terms energy: -464.305532
where:
bonds (distance) C4'-P energy: -84.850
bonds (distance) P-C4' energy: -85.556
flat angles C4'-P-C4' energy: -103.048
flat angles P-C4'-P energy: -68.230
tors. eta vs tors. theta energy: -122.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -937.593611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.593611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.593611 (E_RNA)
where:
Base-Base interactions energy: -526.082
where: short stacking energy: -279.703
Base-Backbone interact. energy: -0.798
local terms energy: -410.712777
where:
bonds (distance) C4'-P energy: -94.055
bonds (distance) P-C4' energy: -97.796
flat angles C4'-P-C4' energy: -97.167
flat angles P-C4'-P energy: -51.596
tors. eta vs tors. theta energy: -70.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -795.298615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.298615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.298615 (E_RNA)
where:
Base-Base interactions energy: -420.599
where: short stacking energy: -267.763
Base-Backbone interact. energy: -1.751
local terms energy: -372.948053
where:
bonds (distance) C4'-P energy: -75.647
bonds (distance) P-C4' energy: -83.484
flat angles C4'-P-C4' energy: -90.103
flat angles P-C4'-P energy: -57.109
tors. eta vs tors. theta energy: -66.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -672.346812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.346812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.346812 (E_RNA)
where:
Base-Base interactions energy: -334.976
where: short stacking energy: -209.383
Base-Backbone interact. energy: -1.117
local terms energy: -336.254127
where:
bonds (distance) C4'-P energy: -75.316
bonds (distance) P-C4' energy: -84.425
flat angles C4'-P-C4' energy: -83.074
flat angles P-C4'-P energy: -57.465
tors. eta vs tors. theta energy: -35.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -622.271136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.271136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.271136 (E_RNA)
where:
Base-Base interactions energy: -295.865
where: short stacking energy: -198.584
Base-Backbone interact. energy: -1.614
local terms energy: -324.792106
where:
bonds (distance) C4'-P energy: -89.852
bonds (distance) P-C4' energy: -89.627
flat angles C4'-P-C4' energy: -76.699
flat angles P-C4'-P energy: -43.673
tors. eta vs tors. theta energy: -24.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -484.288966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.288966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.288966 (E_RNA)
where:
Base-Base interactions energy: -198.725
where: short stacking energy: -138.172
Base-Backbone interact. energy: 0.424
local terms energy: -285.988626
where:
bonds (distance) C4'-P energy: -70.687
bonds (distance) P-C4' energy: -98.616
flat angles C4'-P-C4' energy: -65.052
flat angles P-C4'-P energy: -41.740
tors. eta vs tors. theta energy: -9.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -427.841395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.841395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.841395 (E_RNA)
where:
Base-Base interactions energy: -148.558
where: short stacking energy: -121.531
Base-Backbone interact. energy: 0.465
local terms energy: -279.748390
where:
bonds (distance) C4'-P energy: -74.987
bonds (distance) P-C4' energy: -94.581
flat angles C4'-P-C4' energy: -72.384
flat angles P-C4'-P energy: -44.880
tors. eta vs tors. theta energy: 7.084
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: 6
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -366.851697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.851697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.851697 (E_RNA)
where:
Base-Base interactions energy: -124.524
where: short stacking energy: -115.586
Base-Backbone interact. energy: 2.699
local terms energy: -245.026909
where:
bonds (distance) C4'-P energy: -70.026
bonds (distance) P-C4' energy: -81.945
flat angles C4'-P-C4' energy: -64.792
flat angles P-C4'-P energy: -47.644
tors. eta vs tors. theta energy: 19.380
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: 2
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -365.379422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.379422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.379422 (E_RNA)
where:
Base-Base interactions energy: -135.969
where: short stacking energy: -112.876
Base-Backbone interact. energy: 2.587
local terms energy: -231.997627
where:
bonds (distance) C4'-P energy: -63.687
bonds (distance) P-C4' energy: -78.397
flat angles C4'-P-C4' energy: -61.966
flat angles P-C4'-P energy: -31.855
tors. eta vs tors. theta energy: 3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1185.881146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.881146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.881146 (E_RNA)
where:
Base-Base interactions energy: -733.142
where: short stacking energy: -429.345
Base-Backbone interact. energy: 2.364
local terms energy: -455.103232
where:
bonds (distance) C4'-P energy: -83.593
bonds (distance) P-C4' energy: -94.377
flat angles C4'-P-C4' energy: -82.154
flat angles P-C4'-P energy: -71.221
tors. eta vs tors. theta energy: -123.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1165.360101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.360101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.360101 (E_RNA)
where:
Base-Base interactions energy: -686.092
where: short stacking energy: -414.879
Base-Backbone interact. energy: -0.769
local terms energy: -478.498527
where:
bonds (distance) C4'-P energy: -84.108
bonds (distance) P-C4' energy: -99.068
flat angles C4'-P-C4' energy: -110.580
flat angles P-C4'-P energy: -61.136
tors. eta vs tors. theta energy: -123.607
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: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -959.163593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.163593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.163593 (E_RNA)
where:
Base-Base interactions energy: -549.130
where: short stacking energy: -345.583
Base-Backbone interact. energy: -1.218
local terms energy: -408.816216
where:
bonds (distance) C4'-P energy: -81.693
bonds (distance) P-C4' energy: -84.393
flat angles C4'-P-C4' energy: -91.025
flat angles P-C4'-P energy: -55.670
tors. eta vs tors. theta energy: -96.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -801.971700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.971700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.971700 (E_RNA)
where:
Base-Base interactions energy: -437.996
where: short stacking energy: -275.828
Base-Backbone interact. energy: -0.829
local terms energy: -363.146750
where:
bonds (distance) C4'-P energy: -78.737
bonds (distance) P-C4' energy: -85.788
flat angles C4'-P-C4' energy: -94.685
flat angles P-C4'-P energy: -46.208
tors. eta vs tors. theta energy: -57.729
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: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -695.769661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.769661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.769661 (E_RNA)
where:
Base-Base interactions energy: -366.323
where: short stacking energy: -238.321
Base-Backbone interact. energy: -1.885
local terms energy: -327.561142
where:
bonds (distance) C4'-P energy: -80.766
bonds (distance) P-C4' energy: -84.902
flat angles C4'-P-C4' energy: -74.970
flat angles P-C4'-P energy: -48.796
tors. eta vs tors. theta energy: -38.127
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: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -642.982702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.982702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.982702 (E_RNA)
where:
Base-Base interactions energy: -300.750
where: short stacking energy: -212.636
Base-Backbone interact. energy: -0.408
local terms energy: -341.825147
where:
bonds (distance) C4'-P energy: -72.918
bonds (distance) P-C4' energy: -83.880
flat angles C4'-P-C4' energy: -90.360
flat angles P-C4'-P energy: -53.734
tors. eta vs tors. theta energy: -40.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -519.380518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.380518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.380518 (E_RNA)
where:
Base-Base interactions energy: -246.944
where: short stacking energy: -179.978
Base-Backbone interact. energy: 1.758
local terms energy: -274.195275
where:
bonds (distance) C4'-P energy: -66.413
bonds (distance) P-C4' energy: -58.210
flat angles C4'-P-C4' energy: -85.912
flat angles P-C4'-P energy: -38.263
tors. eta vs tors. theta energy: -25.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -428.762473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.762473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.762473 (E_RNA)
where:
Base-Base interactions energy: -163.698
where: short stacking energy: -122.180
Base-Backbone interact. energy: -0.299
local terms energy: -264.766038
where:
bonds (distance) C4'-P energy: -76.786
bonds (distance) P-C4' energy: -80.572
flat angles C4'-P-C4' energy: -65.254
flat angles P-C4'-P energy: -35.249
tors. eta vs tors. theta energy: -6.905
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: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -383.687965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.687965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.687965 (E_RNA)
where:
Base-Base interactions energy: -126.303
where: short stacking energy: -121.641
Base-Backbone interact. energy: 4.255
local terms energy: -261.639284
where:
bonds (distance) C4'-P energy: -81.624
bonds (distance) P-C4' energy: -81.926
flat angles C4'-P-C4' energy: -60.310
flat angles P-C4'-P energy: -35.283
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -384.505462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.505462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.505462 (E_RNA)
where:
Base-Base interactions energy: -116.612
where: short stacking energy: -107.223
Base-Backbone interact. energy: 4.301
local terms energy: -272.194287
where:
bonds (distance) C4'-P energy: -76.588
bonds (distance) P-C4' energy: -78.370
flat angles C4'-P-C4' energy: -83.635
flat angles P-C4'-P energy: -34.729
tors. eta vs tors. theta energy: 1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1178.080005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.080005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.080005 (E_RNA)
where:
Base-Base interactions energy: -692.789
where: short stacking energy: -417.468
Base-Backbone interact. energy: -2.596
local terms energy: -482.695182
where:
bonds (distance) C4'-P energy: -90.381
bonds (distance) P-C4' energy: -91.949
flat angles C4'-P-C4' energy: -105.583
flat angles P-C4'-P energy: -69.288
tors. eta vs tors. theta energy: -125.495
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: 2, replica: 8
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1103.977822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.977822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.977822 (E_RNA)
where:
Base-Base interactions energy: -650.086
where: short stacking energy: -374.846
Base-Backbone interact. energy: -0.660
local terms energy: -453.232106
where:
bonds (distance) C4'-P energy: -89.110
bonds (distance) P-C4' energy: -86.871
flat angles C4'-P-C4' energy: -104.994
flat angles P-C4'-P energy: -57.888
tors. eta vs tors. theta energy: -114.369
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: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -962.738785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.738785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.738785 (E_RNA)
where:
Base-Base interactions energy: -537.215
where: short stacking energy: -338.887
Base-Backbone interact. energy: -1.220
local terms energy: -424.303804
where:
bonds (distance) C4'-P energy: -81.474
bonds (distance) P-C4' energy: -90.198
flat angles C4'-P-C4' energy: -91.579
flat angles P-C4'-P energy: -53.632
tors. eta vs tors. theta energy: -107.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -788.483280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.483280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.483280 (E_RNA)
where:
Base-Base interactions energy: -412.564
where: short stacking energy: -278.377
Base-Backbone interact. energy: 0.382
local terms energy: -376.300763
where:
bonds (distance) C4'-P energy: -77.224
bonds (distance) P-C4' energy: -77.507
flat angles C4'-P-C4' energy: -92.424
flat angles P-C4'-P energy: -57.513
tors. eta vs tors. theta energy: -71.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -678.956290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.956290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.956290 (E_RNA)
where:
Base-Base interactions energy: -338.580
where: short stacking energy: -209.086
Base-Backbone interact. energy: -0.192
local terms energy: -340.184466
where:
bonds (distance) C4'-P energy: -96.941
bonds (distance) P-C4' energy: -84.793
flat angles C4'-P-C4' energy: -77.407
flat angles P-C4'-P energy: -44.305
tors. eta vs tors. theta energy: -36.739
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: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -646.830991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.830991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.830991 (E_RNA)
where:
Base-Base interactions energy: -312.875
where: short stacking energy: -201.329
Base-Backbone interact. energy: -0.694
local terms energy: -333.262275
where:
bonds (distance) C4'-P energy: -85.848
bonds (distance) P-C4' energy: -81.648
flat angles C4'-P-C4' energy: -70.435
flat angles P-C4'-P energy: -53.999
tors. eta vs tors. theta energy: -41.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -476.721745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.721745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.721745 (E_RNA)
where:
Base-Base interactions energy: -157.793
where: short stacking energy: -134.048
Base-Backbone interact. energy: -1.891
local terms energy: -317.037625
where:
bonds (distance) C4'-P energy: -83.707
bonds (distance) P-C4' energy: -99.439
flat angles C4'-P-C4' energy: -75.774
flat angles P-C4'-P energy: -48.933
tors. eta vs tors. theta energy: -9.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -459.371913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.371913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.371913 (E_RNA)
where:
Base-Base interactions energy: -208.427
where: short stacking energy: -141.341
Base-Backbone interact. energy: -1.132
local terms energy: -249.813019
where:
bonds (distance) C4'-P energy: -84.506
bonds (distance) P-C4' energy: -68.892
flat angles C4'-P-C4' energy: -56.355
flat angles P-C4'-P energy: -36.299
tors. eta vs tors. theta energy: -3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -367.352957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.352957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.352957 (E_RNA)
where:
Base-Base interactions energy: -99.523
where: short stacking energy: -97.548
Base-Backbone interact. energy: -0.941
local terms energy: -266.889674
where:
bonds (distance) C4'-P energy: -85.159
bonds (distance) P-C4' energy: -85.051
flat angles C4'-P-C4' energy: -75.476
flat angles P-C4'-P energy: -37.071
tors. eta vs tors. theta energy: 15.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -355.842600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.842600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.842600 (E_RNA)
where:
Base-Base interactions energy: -120.030
where: short stacking energy: -103.311
Base-Backbone interact. energy: 0.060
local terms energy: -235.872916
where:
bonds (distance) C4'-P energy: -65.761
bonds (distance) P-C4' energy: -76.212
flat angles C4'-P-C4' energy: -53.945
flat angles P-C4'-P energy: -50.350
tors. eta vs tors. theta energy: 10.395
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1208.805216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.805216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.805216 (E_RNA)
where:
Base-Base interactions energy: -719.559
where: short stacking energy: -434.409
Base-Backbone interact. energy: -0.615
local terms energy: -488.631176
where:
bonds (distance) C4'-P energy: -86.917
bonds (distance) P-C4' energy: -89.909
flat angles C4'-P-C4' energy: -109.646
flat angles P-C4'-P energy: -64.605
tors. eta vs tors. theta energy: -137.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1114.697379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.697379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.697379 (E_RNA)
where:
Base-Base interactions energy: -655.110
where: short stacking energy: -359.849
Base-Backbone interact. energy: 0.569
local terms energy: -460.156690
where:
bonds (distance) C4'-P energy: -90.482
bonds (distance) P-C4' energy: -90.797
flat angles C4'-P-C4' energy: -100.393
flat angles P-C4'-P energy: -67.309
tors. eta vs tors. theta energy: -111.175
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: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -965.130225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.130225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.130225 (E_RNA)
where:
Base-Base interactions energy: -529.415
where: short stacking energy: -335.073
Base-Backbone interact. energy: -1.928
local terms energy: -433.787146
where:
bonds (distance) C4'-P energy: -87.871
bonds (distance) P-C4' energy: -102.678
flat angles C4'-P-C4' energy: -96.101
flat angles P-C4'-P energy: -61.428
tors. eta vs tors. theta energy: -85.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -817.560156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.560156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.560156 (E_RNA)
where:
Base-Base interactions energy: -432.025
where: short stacking energy: -279.137
Base-Backbone interact. energy: -0.317
local terms energy: -385.217892
where:
bonds (distance) C4'-P energy: -83.921
bonds (distance) P-C4' energy: -91.390
flat angles C4'-P-C4' energy: -92.332
flat angles P-C4'-P energy: -55.976
tors. eta vs tors. theta energy: -61.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -640.932524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.932524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.932524 (E_RNA)
where:
Base-Base interactions energy: -320.054
where: short stacking energy: -214.086
Base-Backbone interact. energy: -1.661
local terms energy: -319.218030
where:
bonds (distance) C4'-P energy: -50.725
bonds (distance) P-C4' energy: -86.782
flat angles C4'-P-C4' energy: -85.539
flat angles P-C4'-P energy: -61.780
tors. eta vs tors. theta energy: -34.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -592.072264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.072264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.072264 (E_RNA)
where:
Base-Base interactions energy: -276.692
where: short stacking energy: -187.196
Base-Backbone interact. energy: 2.352
local terms energy: -317.732981
where:
bonds (distance) C4'-P energy: -82.378
bonds (distance) P-C4' energy: -83.084
flat angles C4'-P-C4' energy: -76.781
flat angles P-C4'-P energy: -51.413
tors. eta vs tors. theta energy: -24.078
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: 7
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -477.911511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.911511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.911511 (E_RNA)
where:
Base-Base interactions energy: -185.664
where: short stacking energy: -142.151
Base-Backbone interact. energy: 0.556
local terms energy: -292.803506
where:
bonds (distance) C4'-P energy: -81.728
bonds (distance) P-C4' energy: -63.621
flat angles C4'-P-C4' energy: -86.274
flat angles P-C4'-P energy: -49.992
tors. eta vs tors. theta energy: -11.188
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: 8, replica: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -478.758693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.758693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.758693 (E_RNA)
where:
Base-Base interactions energy: -223.143
where: short stacking energy: -143.712
Base-Backbone interact. energy: 4.324
local terms energy: -259.939903
where:
bonds (distance) C4'-P energy: -78.952
bonds (distance) P-C4' energy: -75.102
flat angles C4'-P-C4' energy: -51.034
flat angles P-C4'-P energy: -53.001
tors. eta vs tors. theta energy: -1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -407.628215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.628215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.628215 (E_RNA)
where:
Base-Base interactions energy: -146.200
where: short stacking energy: -113.961
Base-Backbone interact. energy: -0.785
local terms energy: -260.643067
where:
bonds (distance) C4'-P energy: -80.738
bonds (distance) P-C4' energy: -71.629
flat angles C4'-P-C4' energy: -67.531
flat angles P-C4'-P energy: -40.339
tors. eta vs tors. theta energy: -0.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -356.072891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.072891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.072891 (E_RNA)
where:
Base-Base interactions energy: -100.819
where: short stacking energy: -87.994
Base-Backbone interact. energy: 0.786
local terms energy: -256.040203
where:
bonds (distance) C4'-P energy: -78.123
bonds (distance) P-C4' energy: -84.208
flat angles C4'-P-C4' energy: -68.784
flat angles P-C4'-P energy: -34.974
tors. eta vs tors. theta energy: 10.049
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1158.794147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.794147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.794147 (E_RNA)
where:
Base-Base interactions energy: -692.221
where: short stacking energy: -416.406
Base-Backbone interact. energy: -0.952
local terms energy: -465.620729
where:
bonds (distance) C4'-P energy: -90.008
bonds (distance) P-C4' energy: -92.022
flat angles C4'-P-C4' energy: -101.687
flat angles P-C4'-P energy: -70.529
tors. eta vs tors. theta energy: -111.374
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: 2, replica: 8
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1146.779038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.779038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.779038 (E_RNA)
where:
Base-Base interactions energy: -682.923
where: short stacking energy: -406.807
Base-Backbone interact. energy: -1.650
local terms energy: -462.205431
where:
bonds (distance) C4'-P energy: -86.166
bonds (distance) P-C4' energy: -86.633
flat angles C4'-P-C4' energy: -103.492
flat angles P-C4'-P energy: -57.727
tors. eta vs tors. theta energy: -128.187
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: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -973.362315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.362315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.362315 (E_RNA)
where:
Base-Base interactions energy: -546.945
where: short stacking energy: -332.226
Base-Backbone interact. energy: -1.460
local terms energy: -424.956637
where:
bonds (distance) C4'-P energy: -90.014
bonds (distance) P-C4' energy: -91.868
flat angles C4'-P-C4' energy: -87.480
flat angles P-C4'-P energy: -66.484
tors. eta vs tors. theta energy: -89.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -810.577722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.577722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.577722 (E_RNA)
where:
Base-Base interactions energy: -435.004
where: short stacking energy: -281.083
Base-Backbone interact. energy: -2.526
local terms energy: -373.047581
where:
bonds (distance) C4'-P energy: -86.483
bonds (distance) P-C4' energy: -88.156
flat angles C4'-P-C4' energy: -90.148
flat angles P-C4'-P energy: -47.921
tors. eta vs tors. theta energy: -60.340
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: 10
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -654.062184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.062184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.062184 (E_RNA)
where:
Base-Base interactions energy: -328.568
where: short stacking energy: -205.917
Base-Backbone interact. energy: 0.507
local terms energy: -326.001167
where:
bonds (distance) C4'-P energy: -99.176
bonds (distance) P-C4' energy: -77.284
flat angles C4'-P-C4' energy: -75.762
flat angles P-C4'-P energy: -50.047
tors. eta vs tors. theta energy: -23.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -617.448576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.448576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.448576 (E_RNA)
where:
Base-Base interactions energy: -298.217
where: short stacking energy: -183.295
Base-Backbone interact. energy: -0.832
local terms energy: -318.399673
where:
bonds (distance) C4'-P energy: -80.388
bonds (distance) P-C4' energy: -87.575
flat angles C4'-P-C4' energy: -70.227
flat angles P-C4'-P energy: -54.831
tors. eta vs tors. theta energy: -25.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -520.111142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.111142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.111142 (E_RNA)
where:
Base-Base interactions energy: -229.475
where: short stacking energy: -169.524
Base-Backbone interact. energy: 3.357
local terms energy: -293.993392
where:
bonds (distance) C4'-P energy: -72.870
bonds (distance) P-C4' energy: -87.649
flat angles C4'-P-C4' energy: -70.409
flat angles P-C4'-P energy: -52.072
tors. eta vs tors. theta energy: -10.995
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: 7
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -457.340258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.340258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.340258 (E_RNA)
where:
Base-Base interactions energy: -175.562
where: short stacking energy: -114.299
Base-Backbone interact. energy: -1.399
local terms energy: -280.379545
where:
bonds (distance) C4'-P energy: -69.806
bonds (distance) P-C4' energy: -90.846
flat angles C4'-P-C4' energy: -64.163
flat angles P-C4'-P energy: -45.913
tors. eta vs tors. theta energy: -9.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -375.793921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.793921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.793921 (E_RNA)
where:
Base-Base interactions energy: -117.959
where: short stacking energy: -111.287
Base-Backbone interact. energy: 1.761
local terms energy: -259.596640
where:
bonds (distance) C4'-P energy: -83.336
bonds (distance) P-C4' energy: -84.150
flat angles C4'-P-C4' energy: -60.809
flat angles P-C4'-P energy: -30.000
tors. eta vs tors. theta energy: -1.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -342.778175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.778175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.778175 (E_RNA)
where:
Base-Base interactions energy: -104.335
where: short stacking energy: -87.191
Base-Backbone interact. energy: 0.281
local terms energy: -238.723800
where:
bonds (distance) C4'-P energy: -83.746
bonds (distance) P-C4' energy: -73.113
flat angles C4'-P-C4' energy: -64.273
flat angles P-C4'-P energy: -29.081
tors. eta vs tors. theta energy: 11.488
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1164.907103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.907103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.907103 (E_RNA)
where:
Base-Base interactions energy: -701.406
where: short stacking energy: -412.337
Base-Backbone interact. energy: 0.332
local terms energy: -463.833670
where:
bonds (distance) C4'-P energy: -87.562
bonds (distance) P-C4' energy: -93.128
flat angles C4'-P-C4' energy: -100.023
flat angles P-C4'-P energy: -69.021
tors. eta vs tors. theta energy: -114.099
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: 8
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1160.987315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.987315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.987315 (E_RNA)
where:
Base-Base interactions energy: -695.763
where: short stacking energy: -405.207
Base-Backbone interact. energy: -1.306
local terms energy: -463.918588
where:
bonds (distance) C4'-P energy: -94.048
bonds (distance) P-C4' energy: -83.584
flat angles C4'-P-C4' energy: -100.236
flat angles P-C4'-P energy: -67.173
tors. eta vs tors. theta energy: -118.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -967.827452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.827452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.827452 (E_RNA)
where:
Base-Base interactions energy: -530.835
where: short stacking energy: -312.026
Base-Backbone interact. energy: -0.943
local terms energy: -436.049131
where:
bonds (distance) C4'-P energy: -94.116
bonds (distance) P-C4' energy: -85.237
flat angles C4'-P-C4' energy: -92.221
flat angles P-C4'-P energy: -70.857
tors. eta vs tors. theta energy: -93.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -801.330098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.330098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.330098 (E_RNA)
where:
Base-Base interactions energy: -447.890
where: short stacking energy: -269.807
Base-Backbone interact. energy: -1.871
local terms energy: -351.569350
where:
bonds (distance) C4'-P energy: -67.963
bonds (distance) P-C4' energy: -87.618
flat angles C4'-P-C4' energy: -81.911
flat angles P-C4'-P energy: -47.518
tors. eta vs tors. theta energy: -66.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -716.017275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.017275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.017275 (E_RNA)
where:
Base-Base interactions energy: -356.955
where: short stacking energy: -242.244
Base-Backbone interact. energy: -0.362
local terms energy: -358.700181
where:
bonds (distance) C4'-P energy: -84.088
bonds (distance) P-C4' energy: -96.321
flat angles C4'-P-C4' energy: -73.357
flat angles P-C4'-P energy: -47.721
tors. eta vs tors. theta energy: -57.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -610.139475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.139475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.139475 (E_RNA)
where:
Base-Base interactions energy: -288.138
where: short stacking energy: -201.781
Base-Backbone interact. energy: 0.132
local terms energy: -322.133380
where:
bonds (distance) C4'-P energy: -72.768
bonds (distance) P-C4' energy: -89.932
flat angles C4'-P-C4' energy: -73.682
flat angles P-C4'-P energy: -50.411
tors. eta vs tors. theta energy: -35.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -525.758289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.758289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.758289 (E_RNA)
where:
Base-Base interactions energy: -225.037
where: short stacking energy: -158.241
Base-Backbone interact. energy: 0.357
local terms energy: -301.077456
where:
bonds (distance) C4'-P energy: -81.337
bonds (distance) P-C4' energy: -91.623
flat angles C4'-P-C4' energy: -72.257
flat angles P-C4'-P energy: -34.191
tors. eta vs tors. theta energy: -21.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -396.240997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.240997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.240997 (E_RNA)
where:
Base-Base interactions energy: -133.502
where: short stacking energy: -114.507
Base-Backbone interact. energy: -0.086
local terms energy: -262.653628
where:
bonds (distance) C4'-P energy: -73.410
bonds (distance) P-C4' energy: -90.491
flat angles C4'-P-C4' energy: -64.043
flat angles P-C4'-P energy: -43.420
tors. eta vs tors. theta energy: 8.711
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: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -416.132033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.132033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.132033 (E_RNA)
where:
Base-Base interactions energy: -169.719
where: short stacking energy: -126.283
Base-Backbone interact. energy: 3.390
local terms energy: -249.803105
where:
bonds (distance) C4'-P energy: -60.475
bonds (distance) P-C4' energy: -85.237
flat angles C4'-P-C4' energy: -67.927
flat angles P-C4'-P energy: -46.689
tors. eta vs tors. theta energy: 10.525
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: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -365.133503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.133503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.133503 (E_RNA)
where:
Base-Base interactions energy: -134.988
where: short stacking energy: -115.448
Base-Backbone interact. energy: 0.546
local terms energy: -230.691609
where:
bonds (distance) C4'-P energy: -72.780
bonds (distance) P-C4' energy: -62.411
flat angles C4'-P-C4' energy: -58.447
flat angles P-C4'-P energy: -47.871
tors. eta vs tors. theta energy: 10.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1195.870193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.870193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.870193 (E_RNA)
where:
Base-Base interactions energy: -692.659
where: short stacking energy: -415.451
Base-Backbone interact. energy: -0.541
local terms energy: -502.670334
where:
bonds (distance) C4'-P energy: -98.456
bonds (distance) P-C4' energy: -87.308
flat angles C4'-P-C4' energy: -105.059
flat angles P-C4'-P energy: -76.766
tors. eta vs tors. theta energy: -135.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1162.193158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.193158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.193158 (E_RNA)
where:
Base-Base interactions energy: -662.051
where: short stacking energy: -393.649
Base-Backbone interact. energy: -1.045
local terms energy: -499.096767
where:
bonds (distance) C4'-P energy: -102.150
bonds (distance) P-C4' energy: -100.058
flat angles C4'-P-C4' energy: -106.572
flat angles P-C4'-P energy: -62.874
tors. eta vs tors. theta energy: -127.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -924.667409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.667409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.667409 (E_RNA)
where:
Base-Base interactions energy: -528.389
where: short stacking energy: -319.982
Base-Backbone interact. energy: -1.099
local terms energy: -395.179937
where:
bonds (distance) C4'-P energy: -84.626
bonds (distance) P-C4' energy: -83.880
flat angles C4'-P-C4' energy: -90.468
flat angles P-C4'-P energy: -55.665
tors. eta vs tors. theta energy: -80.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -751.352808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.352808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.352808 (E_RNA)
where:
Base-Base interactions energy: -399.305
where: short stacking energy: -249.836
Base-Backbone interact. energy: -1.687
local terms energy: -350.361023
where:
bonds (distance) C4'-P energy: -75.906
bonds (distance) P-C4' energy: -91.937
flat angles C4'-P-C4' energy: -81.106
flat angles P-C4'-P energy: -43.079
tors. eta vs tors. theta energy: -58.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -714.519148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.519148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.519148 (E_RNA)
where:
Base-Base interactions energy: -358.501
where: short stacking energy: -240.638
Base-Backbone interact. energy: -0.937
local terms energy: -355.081563
where:
bonds (distance) C4'-P energy: -83.729
bonds (distance) P-C4' energy: -79.649
flat angles C4'-P-C4' energy: -87.101
flat angles P-C4'-P energy: -68.255
tors. eta vs tors. theta energy: -36.347
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: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -603.868445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.868445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.868445 (E_RNA)
where:
Base-Base interactions energy: -267.334
where: short stacking energy: -168.210
Base-Backbone interact. energy: -0.505
local terms energy: -336.029215
where:
bonds (distance) C4'-P energy: -96.960
bonds (distance) P-C4' energy: -79.748
flat angles C4'-P-C4' energy: -72.488
flat angles P-C4'-P energy: -59.305
tors. eta vs tors. theta energy: -27.528
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: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -516.270195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.270195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.270195 (E_RNA)
where:
Base-Base interactions energy: -216.635
where: short stacking energy: -148.830
Base-Backbone interact. energy: 0.504
local terms energy: -300.138839
where:
bonds (distance) C4'-P energy: -85.939
bonds (distance) P-C4' energy: -86.541
flat angles C4'-P-C4' energy: -77.609
flat angles P-C4'-P energy: -34.238
tors. eta vs tors. theta energy: -15.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -399.989812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.989812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.989812 (E_RNA)
where:
Base-Base interactions energy: -127.628
where: short stacking energy: -123.833
Base-Backbone interact. energy: -2.331
local terms energy: -270.030852
where:
bonds (distance) C4'-P energy: -74.041
bonds (distance) P-C4' energy: -83.140
flat angles C4'-P-C4' energy: -67.675
flat angles P-C4'-P energy: -44.874
tors. eta vs tors. theta energy: -0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -392.112236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.112236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.112236 (E_RNA)
where:
Base-Base interactions energy: -136.789
where: short stacking energy: -107.135
Base-Backbone interact. energy: -2.083
local terms energy: -253.240086
where:
bonds (distance) C4'-P energy: -89.608
bonds (distance) P-C4' energy: -82.046
flat angles C4'-P-C4' energy: -57.519
flat angles P-C4'-P energy: -36.810
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: 10, replica: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -377.679164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.679164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.679164 (E_RNA)
where:
Base-Base interactions energy: -153.736
where: short stacking energy: -112.740
Base-Backbone interact. energy: 5.159
local terms energy: -229.101767
where:
bonds (distance) C4'-P energy: -87.020
bonds (distance) P-C4' energy: -63.302
flat angles C4'-P-C4' energy: -55.686
flat angles P-C4'-P energy: -38.801
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1194.615235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.615235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.615235 (E_RNA)
where:
Base-Base interactions energy: -695.547
where: short stacking energy: -429.609
Base-Backbone interact. energy: -1.598
local terms energy: -497.469955
where:
bonds (distance) C4'-P energy: -96.411
bonds (distance) P-C4' energy: -94.219
flat angles C4'-P-C4' energy: -95.161
flat angles P-C4'-P energy: -74.936
tors. eta vs tors. theta energy: -136.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1138.772284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.772284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.772284 (E_RNA)
where:
Base-Base interactions energy: -671.782
where: short stacking energy: -390.582
Base-Backbone interact. energy: -0.863
local terms energy: -466.127374
where:
bonds (distance) C4'-P energy: -86.967
bonds (distance) P-C4' energy: -91.025
flat angles C4'-P-C4' energy: -107.920
flat angles P-C4'-P energy: -68.388
tors. eta vs tors. theta energy: -111.827
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: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -972.338938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.338938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.338938 (E_RNA)
where:
Base-Base interactions energy: -549.803
where: short stacking energy: -343.526
Base-Backbone interact. energy: -0.672
local terms energy: -421.864028
where:
bonds (distance) C4'-P energy: -82.869
bonds (distance) P-C4' energy: -86.230
flat angles C4'-P-C4' energy: -87.427
flat angles P-C4'-P energy: -58.931
tors. eta vs tors. theta energy: -106.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -793.972372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.972372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.972372 (E_RNA)
where:
Base-Base interactions energy: -419.388
where: short stacking energy: -267.000
Base-Backbone interact. energy: 0.412
local terms energy: -374.996628
where:
bonds (distance) C4'-P energy: -80.651
bonds (distance) P-C4' energy: -87.123
flat angles C4'-P-C4' energy: -97.834
flat angles P-C4'-P energy: -49.866
tors. eta vs tors. theta energy: -59.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -711.611238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.611238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.611238 (E_RNA)
where:
Base-Base interactions energy: -364.089
where: short stacking energy: -236.514
Base-Backbone interact. energy: 1.110
local terms energy: -348.632419
where:
bonds (distance) C4'-P energy: -91.833
bonds (distance) P-C4' energy: -84.044
flat angles C4'-P-C4' energy: -70.258
flat angles P-C4'-P energy: -54.104
tors. eta vs tors. theta energy: -48.394
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: 6, replica: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -615.390066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.390066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.390066 (E_RNA)
where:
Base-Base interactions energy: -285.697
where: short stacking energy: -200.337
Base-Backbone interact. energy: -0.366
local terms energy: -329.327548
where:
bonds (distance) C4'-P energy: -80.958
bonds (distance) P-C4' energy: -91.239
flat angles C4'-P-C4' energy: -77.675
flat angles P-C4'-P energy: -43.878
tors. eta vs tors. theta energy: -35.577
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: 447
Temperature: 1.200000
Total energy: -516.410254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.410254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.410254 (E_RNA)
where:
Base-Base interactions energy: -212.598
where: short stacking energy: -166.110
Base-Backbone interact. energy: -1.640
local terms energy: -302.173032
where:
bonds (distance) C4'-P energy: -69.150
bonds (distance) P-C4' energy: -85.571
flat angles C4'-P-C4' energy: -79.362
flat angles P-C4'-P energy: -50.343
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -455.427254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.427254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.427254 (E_RNA)
where:
Base-Base interactions energy: -180.488
where: short stacking energy: -133.984
Base-Backbone interact. energy: -0.451
local terms energy: -274.487810
where:
bonds (distance) C4'-P energy: -66.591
bonds (distance) P-C4' energy: -83.912
flat angles C4'-P-C4' energy: -80.985
flat angles P-C4'-P energy: -45.836
tors. eta vs tors. theta energy: 2.836
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: 2
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -373.426821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.426821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.426821 (E_RNA)
where:
Base-Base interactions energy: -142.669
where: short stacking energy: -102.451
Base-Backbone interact. energy: -1.123
local terms energy: -229.635105
where:
bonds (distance) C4'-P energy: -75.778
bonds (distance) P-C4' energy: -78.303
flat angles C4'-P-C4' energy: -58.171
flat angles P-C4'-P energy: -38.359
tors. eta vs tors. theta energy: 20.976
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: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -343.887905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.887905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.887905 (E_RNA)
where:
Base-Base interactions energy: -106.944
where: short stacking energy: -82.767
Base-Backbone interact. energy: -2.187
local terms energy: -234.756340
where:
bonds (distance) C4'-P energy: -68.267
bonds (distance) P-C4' energy: -89.202
flat angles C4'-P-C4' energy: -69.345
flat angles P-C4'-P energy: -27.446
tors. eta vs tors. theta energy: 19.503
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1171.187115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.187115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.187115 (E_RNA)
where:
Base-Base interactions energy: -689.573
where: short stacking energy: -414.059
Base-Backbone interact. energy: -0.316
local terms energy: -481.297995
where:
bonds (distance) C4'-P energy: -92.703
bonds (distance) P-C4' energy: -93.248
flat angles C4'-P-C4' energy: -102.110
flat angles P-C4'-P energy: -66.176
tors. eta vs tors. theta energy: -127.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1119.130413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.130413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.130413 (E_RNA)
where:
Base-Base interactions energy: -653.811
where: short stacking energy: -383.291
Base-Backbone interact. energy: -1.969
local terms energy: -463.350819
where:
bonds (distance) C4'-P energy: -88.313
bonds (distance) P-C4' energy: -86.130
flat angles C4'-P-C4' energy: -102.186
flat angles P-C4'-P energy: -73.845
tors. eta vs tors. theta energy: -112.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -918.593185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.593185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.593185 (E_RNA)
where:
Base-Base interactions energy: -513.228
where: short stacking energy: -300.874
Base-Backbone interact. energy: -0.348
local terms energy: -405.016789
where:
bonds (distance) C4'-P energy: -88.181
bonds (distance) P-C4' energy: -96.964
flat angles C4'-P-C4' energy: -83.026
flat angles P-C4'-P energy: -58.862
tors. eta vs tors. theta energy: -77.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -820.336714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.336714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.336714 (E_RNA)
where:
Base-Base interactions energy: -430.743
where: short stacking energy: -282.208
Base-Backbone interact. energy: 0.794
local terms energy: -390.387498
where:
bonds (distance) C4'-P energy: -71.413
bonds (distance) P-C4' energy: -91.359
flat angles C4'-P-C4' energy: -93.493
flat angles P-C4'-P energy: -59.474
tors. eta vs tors. theta energy: -74.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -694.285357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.285357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.285357 (E_RNA)
where:
Base-Base interactions energy: -334.210
where: short stacking energy: -241.041
Base-Backbone interact. energy: 2.310
local terms energy: -362.385032
where:
bonds (distance) C4'-P energy: -83.979
bonds (distance) P-C4' energy: -77.813
flat angles C4'-P-C4' energy: -93.295
flat angles P-C4'-P energy: -56.126
tors. eta vs tors. theta energy: -51.171
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: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -590.072166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.072166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.072166 (E_RNA)
where:
Base-Base interactions energy: -269.788
where: short stacking energy: -178.284
Base-Backbone interact. energy: 1.188
local terms energy: -321.472488
where:
bonds (distance) C4'-P energy: -83.596
bonds (distance) P-C4' energy: -90.552
flat angles C4'-P-C4' energy: -67.454
flat angles P-C4'-P energy: -47.364
tors. eta vs tors. theta energy: -32.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -529.495285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.495285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.495285 (E_RNA)
where:
Base-Base interactions energy: -215.452
where: short stacking energy: -160.632
Base-Backbone interact. energy: 1.122
local terms energy: -315.165802
where:
bonds (distance) C4'-P energy: -91.860
bonds (distance) P-C4' energy: -92.047
flat angles C4'-P-C4' energy: -68.186
flat angles P-C4'-P energy: -49.321
tors. eta vs tors. theta energy: -13.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -464.597393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.597393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.597393 (E_RNA)
where:
Base-Base interactions energy: -189.984
where: short stacking energy: -142.676
Base-Backbone interact. energy: 1.730
local terms energy: -276.343475
where:
bonds (distance) C4'-P energy: -80.816
bonds (distance) P-C4' energy: -81.265
flat angles C4'-P-C4' energy: -69.458
flat angles P-C4'-P energy: -46.006
tors. eta vs tors. theta energy: 1.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -374.602635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.602635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.602635 (E_RNA)
where:
Base-Base interactions energy: -128.664
where: short stacking energy: -116.293
Base-Backbone interact. energy: 2.781
local terms energy: -248.720097
where:
bonds (distance) C4'-P energy: -66.982
bonds (distance) P-C4' energy: -75.674
flat angles C4'-P-C4' energy: -64.409
flat angles P-C4'-P energy: -40.784
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: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -340.247071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.247071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.247071 (E_RNA)
where:
Base-Base interactions energy: -120.653
where: short stacking energy: -107.858
Base-Backbone interact. energy: 2.702
local terms energy: -222.296586
where:
bonds (distance) C4'-P energy: -73.749
bonds (distance) P-C4' energy: -77.224
flat angles C4'-P-C4' energy: -60.796
flat angles P-C4'-P energy: -37.070
tors. eta vs tors. theta energy: 26.542
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1180.266293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.266293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.266293 (E_RNA)
where:
Base-Base interactions energy: -684.728
where: short stacking energy: -396.818
Base-Backbone interact. energy: 0.184
local terms energy: -495.722202
where:
bonds (distance) C4'-P energy: -88.892
bonds (distance) P-C4' energy: -97.759
flat angles C4'-P-C4' energy: -108.182
flat angles P-C4'-P energy: -76.799
tors. eta vs tors. theta energy: -124.090
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: 449
Temperature: 0.950000
Total energy: -1141.419580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.419580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.419580 (E_RNA)
where:
Base-Base interactions energy: -668.781
where: short stacking energy: -404.282
Base-Backbone interact. energy: 0.909
local terms energy: -473.547504
where:
bonds (distance) C4'-P energy: -82.870
bonds (distance) P-C4' energy: -94.724
flat angles C4'-P-C4' energy: -106.308
flat angles P-C4'-P energy: -64.858
tors. eta vs tors. theta energy: -124.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -958.677507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.677507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.677507 (E_RNA)
where:
Base-Base interactions energy: -525.621
where: short stacking energy: -309.286
Base-Backbone interact. energy: -1.918
local terms energy: -431.138293
where:
bonds (distance) C4'-P energy: -94.978
bonds (distance) P-C4' energy: -88.252
flat angles C4'-P-C4' energy: -100.379
flat angles P-C4'-P energy: -67.375
tors. eta vs tors. theta energy: -80.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -816.793621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.793621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.793621 (E_RNA)
where:
Base-Base interactions energy: -419.652
where: short stacking energy: -245.923
Base-Backbone interact. energy: -1.033
local terms energy: -396.108904
where:
bonds (distance) C4'-P energy: -85.623
bonds (distance) P-C4' energy: -90.386
flat angles C4'-P-C4' energy: -84.887
flat angles P-C4'-P energy: -72.780
tors. eta vs tors. theta energy: -62.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -674.205285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.205285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.205285 (E_RNA)
where:
Base-Base interactions energy: -313.717
where: short stacking energy: -213.097
Base-Backbone interact. energy: -0.867
local terms energy: -359.620924
where:
bonds (distance) C4'-P energy: -84.570
bonds (distance) P-C4' energy: -88.553
flat angles C4'-P-C4' energy: -88.901
flat angles P-C4'-P energy: -61.755
tors. eta vs tors. theta energy: -35.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -608.758143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.758143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.758143 (E_RNA)
where:
Base-Base interactions energy: -271.617
where: short stacking energy: -181.352
Base-Backbone interact. energy: -0.112
local terms energy: -337.029141
where:
bonds (distance) C4'-P energy: -88.904
bonds (distance) P-C4' energy: -81.204
flat angles C4'-P-C4' energy: -85.996
flat angles P-C4'-P energy: -48.556
tors. eta vs tors. theta energy: -32.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -512.735627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.735627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.735627 (E_RNA)
where:
Base-Base interactions energy: -194.466
where: short stacking energy: -155.974
Base-Backbone interact. energy: 0.702
local terms energy: -318.971010
where:
bonds (distance) C4'-P energy: -78.543
bonds (distance) P-C4' energy: -92.028
flat angles C4'-P-C4' energy: -77.306
flat angles P-C4'-P energy: -59.680
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: 8, replica: 2
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -395.907311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.907311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.907311 (E_RNA)
where:
Base-Base interactions energy: -147.053
where: short stacking energy: -117.415
Base-Backbone interact. energy: 3.987
local terms energy: -252.841215
where:
bonds (distance) C4'-P energy: -61.101
bonds (distance) P-C4' energy: -82.409
flat angles C4'-P-C4' energy: -63.936
flat angles P-C4'-P energy: -53.287
tors. eta vs tors. theta energy: 7.892
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: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -399.149144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.149144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.149144 (E_RNA)
where:
Base-Base interactions energy: -143.150
where: short stacking energy: -123.983
Base-Backbone interact. energy: 1.076
local terms energy: -257.075424
where:
bonds (distance) C4'-P energy: -71.029
bonds (distance) P-C4' energy: -94.368
flat angles C4'-P-C4' energy: -59.780
flat angles P-C4'-P energy: -34.818
tors. eta vs tors. theta energy: 2.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -356.643295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.643295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.643295 (E_RNA)
where:
Base-Base interactions energy: -124.699
where: short stacking energy: -107.423
Base-Backbone interact. energy: 0.116
local terms energy: -232.060740
where:
bonds (distance) C4'-P energy: -65.709
bonds (distance) P-C4' energy: -81.326
flat angles C4'-P-C4' energy: -59.877
flat angles P-C4'-P energy: -43.639
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1180.480820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.480820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.480820 (E_RNA)
where:
Base-Base interactions energy: -704.140
where: short stacking energy: -421.921
Base-Backbone interact. energy: 0.255
local terms energy: -476.596324
where:
bonds (distance) C4'-P energy: -82.071
bonds (distance) P-C4' energy: -106.050
flat angles C4'-P-C4' energy: -95.024
flat angles P-C4'-P energy: -69.709
tors. eta vs tors. theta energy: -123.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1105.569239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.569239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.569239 (E_RNA)
where:
Base-Base interactions energy: -646.643
where: short stacking energy: -397.773
Base-Backbone interact. energy: -1.941
local terms energy: -456.985359
where:
bonds (distance) C4'-P energy: -95.785
bonds (distance) P-C4' energy: -80.407
flat angles C4'-P-C4' energy: -99.632
flat angles P-C4'-P energy: -75.476
tors. eta vs tors. theta energy: -105.685
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: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -954.609728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.609728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.609728 (E_RNA)
where:
Base-Base interactions energy: -522.634
where: short stacking energy: -332.680
Base-Backbone interact. energy: -1.725
local terms energy: -430.250038
where:
bonds (distance) C4'-P energy: -91.563
bonds (distance) P-C4' energy: -94.167
flat angles C4'-P-C4' energy: -97.722
flat angles P-C4'-P energy: -57.560
tors. eta vs tors. theta energy: -89.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -827.894524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.894524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.894524 (E_RNA)
where:
Base-Base interactions energy: -445.041
where: short stacking energy: -271.243
Base-Backbone interact. energy: -1.758
local terms energy: -381.095560
where:
bonds (distance) C4'-P energy: -78.995
bonds (distance) P-C4' energy: -83.429
flat angles C4'-P-C4' energy: -96.047
flat angles P-C4'-P energy: -65.618
tors. eta vs tors. theta energy: -57.007
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: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -692.323010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.323010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.323010 (E_RNA)
where:
Base-Base interactions energy: -332.681
where: short stacking energy: -219.089
Base-Backbone interact. energy: 1.131
local terms energy: -360.772098
where:
bonds (distance) C4'-P energy: -99.365
bonds (distance) P-C4' energy: -90.474
flat angles C4'-P-C4' energy: -88.239
flat angles P-C4'-P energy: -32.607
tors. eta vs tors. theta energy: -50.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -583.728683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.728683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.728683 (E_RNA)
where:
Base-Base interactions energy: -280.560
where: short stacking energy: -193.513
Base-Backbone interact. energy: -1.033
local terms energy: -302.135447
where:
bonds (distance) C4'-P energy: -81.720
bonds (distance) P-C4' energy: -76.658
flat angles C4'-P-C4' energy: -72.401
flat angles P-C4'-P energy: -49.944
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -520.324314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.324314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.324314 (E_RNA)
where:
Base-Base interactions energy: -232.135
where: short stacking energy: -172.298
Base-Backbone interact. energy: 0.356
local terms energy: -288.545306
where:
bonds (distance) C4'-P energy: -64.433
bonds (distance) P-C4' energy: -84.615
flat angles C4'-P-C4' energy: -75.400
flat angles P-C4'-P energy: -44.951
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -431.475445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.475445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.475445 (E_RNA)
where:
Base-Base interactions energy: -189.631
where: short stacking energy: -134.950
Base-Backbone interact. energy: 1.443
local terms energy: -243.287326
where:
bonds (distance) C4'-P energy: -64.358
bonds (distance) P-C4' energy: -70.002
flat angles C4'-P-C4' energy: -85.849
flat angles P-C4'-P energy: -22.381
tors. eta vs tors. theta energy: -0.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -413.022130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.022130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.022130 (E_RNA)
where:
Base-Base interactions energy: -162.676
where: short stacking energy: -132.579
Base-Backbone interact. energy: -0.312
local terms energy: -250.033671
where:
bonds (distance) C4'-P energy: -68.051
bonds (distance) P-C4' energy: -79.061
flat angles C4'-P-C4' energy: -63.121
flat angles P-C4'-P energy: -32.556
tors. eta vs tors. theta energy: -7.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -359.699983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.699983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.699983 (E_RNA)
where:
Base-Base interactions energy: -112.650
where: short stacking energy: -112.403
Base-Backbone interact. energy: -0.803
local terms energy: -246.246224
where:
bonds (distance) C4'-P energy: -79.807
bonds (distance) P-C4' energy: -78.158
flat angles C4'-P-C4' energy: -65.144
flat angles P-C4'-P energy: -36.165
tors. eta vs tors. theta energy: 13.027
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1202.335729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.335729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.335729 (E_RNA)
where:
Base-Base interactions energy: -702.731
where: short stacking energy: -403.178
Base-Backbone interact. energy: -0.659
local terms energy: -498.945010
where:
bonds (distance) C4'-P energy: -110.235
bonds (distance) P-C4' energy: -100.792
flat angles C4'-P-C4' energy: -102.191
flat angles P-C4'-P energy: -63.823
tors. eta vs tors. theta energy: -121.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1121.709067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.709067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.709067 (E_RNA)
where:
Base-Base interactions energy: -657.434
where: short stacking energy: -395.132
Base-Backbone interact. energy: -0.792
local terms energy: -463.482474
where:
bonds (distance) C4'-P energy: -79.261
bonds (distance) P-C4' energy: -108.313
flat angles C4'-P-C4' energy: -102.962
flat angles P-C4'-P energy: -70.033
tors. eta vs tors. theta energy: -102.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -898.879134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.879134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.879134 (E_RNA)
where:
Base-Base interactions energy: -488.470
where: short stacking energy: -332.844
Base-Backbone interact. energy: 0.769
local terms energy: -411.178357
where:
bonds (distance) C4'-P energy: -92.182
bonds (distance) P-C4' energy: -85.789
flat angles C4'-P-C4' energy: -89.314
flat angles P-C4'-P energy: -58.923
tors. eta vs tors. theta energy: -84.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -856.190053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.190053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.190053 (E_RNA)
where:
Base-Base interactions energy: -436.198
where: short stacking energy: -283.363
Base-Backbone interact. energy: -0.677
local terms energy: -419.314749
where:
bonds (distance) C4'-P energy: -83.430
bonds (distance) P-C4' energy: -94.736
flat angles C4'-P-C4' energy: -100.971
flat angles P-C4'-P energy: -53.855
tors. eta vs tors. theta energy: -86.323
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: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -658.894715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.894715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.894715 (E_RNA)
where:
Base-Base interactions energy: -330.816
where: short stacking energy: -235.248
Base-Backbone interact. energy: -1.037
local terms energy: -327.041540
where:
bonds (distance) C4'-P energy: -80.357
bonds (distance) P-C4' energy: -75.438
flat angles C4'-P-C4' energy: -85.442
flat angles P-C4'-P energy: -37.909
tors. eta vs tors. theta energy: -47.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -645.866646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.866646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.866646 (E_RNA)
where:
Base-Base interactions energy: -311.960
where: short stacking energy: -208.278
Base-Backbone interact. energy: -1.110
local terms energy: -332.797066
where:
bonds (distance) C4'-P energy: -74.903
bonds (distance) P-C4' energy: -81.595
flat angles C4'-P-C4' energy: -79.580
flat angles P-C4'-P energy: -55.956
tors. eta vs tors. theta energy: -40.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -523.086731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.086731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.086731 (E_RNA)
where:
Base-Base interactions energy: -213.925
where: short stacking energy: -166.510
Base-Backbone interact. energy: 0.258
local terms energy: -309.419227
where:
bonds (distance) C4'-P energy: -73.682
bonds (distance) P-C4' energy: -81.889
flat angles C4'-P-C4' energy: -86.824
flat angles P-C4'-P energy: -50.014
tors. eta vs tors. theta energy: -17.010
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: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -428.396646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.396646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.396646 (E_RNA)
where:
Base-Base interactions energy: -165.661
where: short stacking energy: -125.100
Base-Backbone interact. energy: 1.499
local terms energy: -264.234261
where:
bonds (distance) C4'-P energy: -63.606
bonds (distance) P-C4' energy: -80.868
flat angles C4'-P-C4' energy: -84.668
flat angles P-C4'-P energy: -33.887
tors. eta vs tors. theta energy: -1.205
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: 9, replica: 2
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -413.771578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.771578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.771578 (E_RNA)
where:
Base-Base interactions energy: -136.914
where: short stacking energy: -108.932
Base-Backbone interact. energy: -0.742
local terms energy: -276.115327
where:
bonds (distance) C4'-P energy: -78.657
bonds (distance) P-C4' energy: -86.947
flat angles C4'-P-C4' energy: -71.816
flat angles P-C4'-P energy: -48.477
tors. eta vs tors. theta energy: 9.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -363.922836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.922836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.922836 (E_RNA)
where:
Base-Base interactions energy: -133.197
where: short stacking energy: -114.532
Base-Backbone interact. energy: 0.014
local terms energy: -230.739294
where:
bonds (distance) C4'-P energy: -66.899
bonds (distance) P-C4' energy: -63.067
flat angles C4'-P-C4' energy: -63.984
flat angles P-C4'-P energy: -38.385
tors. eta vs tors. theta energy: 1.595
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1193.487618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.487618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.487618 (E_RNA)
where:
Base-Base interactions energy: -716.944
where: short stacking energy: -438.404
Base-Backbone interact. energy: -0.238
local terms energy: -476.305480
where:
bonds (distance) C4'-P energy: -96.758
bonds (distance) P-C4' energy: -99.268
flat angles C4'-P-C4' energy: -99.050
flat angles P-C4'-P energy: -57.171
tors. eta vs tors. theta energy: -124.058
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: 452
Temperature: 0.950000
Total energy: -1161.212957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.212957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.212957 (E_RNA)
where:
Base-Base interactions energy: -674.405
where: short stacking energy: -439.582
Base-Backbone interact. energy: -1.479
local terms energy: -485.328639
where:
bonds (distance) C4'-P energy: -94.369
bonds (distance) P-C4' energy: -90.273
flat angles C4'-P-C4' energy: -104.427
flat angles P-C4'-P energy: -65.310
tors. eta vs tors. theta energy: -130.949
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: 3, replica: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -893.782957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.782957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.782957 (E_RNA)
where:
Base-Base interactions energy: -483.397
where: short stacking energy: -305.192
Base-Backbone interact. energy: 0.348
local terms energy: -410.734340
where:
bonds (distance) C4'-P energy: -86.908
bonds (distance) P-C4' energy: -88.176
flat angles C4'-P-C4' energy: -90.240
flat angles P-C4'-P energy: -62.177
tors. eta vs tors. theta energy: -83.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -788.420618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.420618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.420618 (E_RNA)
where:
Base-Base interactions energy: -398.311
where: short stacking energy: -252.717
Base-Backbone interact. energy: -0.983
local terms energy: -389.126731
where:
bonds (distance) C4'-P energy: -89.966
bonds (distance) P-C4' energy: -90.923
flat angles C4'-P-C4' energy: -91.416
flat angles P-C4'-P energy: -57.073
tors. eta vs tors. theta energy: -59.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -697.119547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.119547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.119547 (E_RNA)
where:
Base-Base interactions energy: -351.816
where: short stacking energy: -222.445
Base-Backbone interact. energy: -0.886
local terms energy: -344.418030
where:
bonds (distance) C4'-P energy: -79.776
bonds (distance) P-C4' energy: -86.746
flat angles C4'-P-C4' energy: -80.192
flat angles P-C4'-P energy: -54.597
tors. eta vs tors. theta energy: -43.107
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: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -640.646113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.646113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.646113 (E_RNA)
where:
Base-Base interactions energy: -340.262
where: short stacking energy: -219.786
Base-Backbone interact. energy: -0.302
local terms energy: -300.082063
where:
bonds (distance) C4'-P energy: -75.609
bonds (distance) P-C4' energy: -64.599
flat angles C4'-P-C4' energy: -77.738
flat angles P-C4'-P energy: -42.930
tors. eta vs tors. theta energy: -39.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -549.244286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.244286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.244286 (E_RNA)
where:
Base-Base interactions energy: -247.485
where: short stacking energy: -159.078
Base-Backbone interact. energy: 0.095
local terms energy: -301.854116
where:
bonds (distance) C4'-P energy: -77.867
bonds (distance) P-C4' energy: -81.933
flat angles C4'-P-C4' energy: -78.487
flat angles P-C4'-P energy: -49.579
tors. eta vs tors. theta energy: -13.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -424.024805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.024805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.024805 (E_RNA)
where:
Base-Base interactions energy: -151.197
where: short stacking energy: -137.211
Base-Backbone interact. energy: 1.594
local terms energy: -274.421553
where:
bonds (distance) C4'-P energy: -79.071
bonds (distance) P-C4' energy: -82.448
flat angles C4'-P-C4' energy: -76.291
flat angles P-C4'-P energy: -37.954
tors. eta vs tors. theta energy: 1.342
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: 2
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -390.746868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.746868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.746868 (E_RNA)
where:
Base-Base interactions energy: -130.838
where: short stacking energy: -118.451
Base-Backbone interact. energy: -1.761
local terms energy: -258.148321
where:
bonds (distance) C4'-P energy: -85.861
bonds (distance) P-C4' energy: -78.603
flat angles C4'-P-C4' energy: -79.640
flat angles P-C4'-P energy: -31.058
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: 10, replica: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -349.771837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.771837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.771837 (E_RNA)
where:
Base-Base interactions energy: -127.481
where: short stacking energy: -122.145
Base-Backbone interact. energy: 0.852
local terms energy: -223.143344
where:
bonds (distance) C4'-P energy: -63.520
bonds (distance) P-C4' energy: -77.029
flat angles C4'-P-C4' energy: -61.859
flat angles P-C4'-P energy: -26.464
tors. eta vs tors. theta energy: 5.728
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1200.157519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.157519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.157519 (E_RNA)
where:
Base-Base interactions energy: -723.720
where: short stacking energy: -433.551
Base-Backbone interact. energy: -0.701
local terms energy: -475.736167
where:
bonds (distance) C4'-P energy: -98.245
bonds (distance) P-C4' energy: -91.491
flat angles C4'-P-C4' energy: -102.818
flat angles P-C4'-P energy: -59.265
tors. eta vs tors. theta energy: -123.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1105.927094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.927094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.927094 (E_RNA)
where:
Base-Base interactions energy: -654.762
where: short stacking energy: -371.689
Base-Backbone interact. energy: -1.304
local terms energy: -449.861153
where:
bonds (distance) C4'-P energy: -80.560
bonds (distance) P-C4' energy: -93.329
flat angles C4'-P-C4' energy: -95.204
flat angles P-C4'-P energy: -67.708
tors. eta vs tors. theta energy: -113.060
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: 9
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -915.094061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.094061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.094061 (E_RNA)
where:
Base-Base interactions energy: -511.082
where: short stacking energy: -318.689
Base-Backbone interact. energy: 1.963
local terms energy: -405.974638
where:
bonds (distance) C4'-P energy: -83.854
bonds (distance) P-C4' energy: -79.619
flat angles C4'-P-C4' energy: -100.067
flat angles P-C4'-P energy: -64.691
tors. eta vs tors. theta energy: -77.744
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: 453
Temperature: 1.050000
Total energy: -814.956110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.956110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.956110 (E_RNA)
where:
Base-Base interactions energy: -418.865
where: short stacking energy: -267.070
Base-Backbone interact. energy: -1.456
local terms energy: -394.635136
where:
bonds (distance) C4'-P energy: -89.227
bonds (distance) P-C4' energy: -97.790
flat angles C4'-P-C4' energy: -83.503
flat angles P-C4'-P energy: -63.371
tors. eta vs tors. theta energy: -60.744
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: 453
Temperature: 1.100000
Total energy: -766.565064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.565064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.565064 (E_RNA)
where:
Base-Base interactions energy: -395.163
where: short stacking energy: -268.453
Base-Backbone interact. energy: 0.666
local terms energy: -372.067674
where:
bonds (distance) C4'-P energy: -82.619
bonds (distance) P-C4' energy: -86.874
flat angles C4'-P-C4' energy: -83.864
flat angles P-C4'-P energy: -59.621
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: 6, replica: 10
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -655.180536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.180536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.180536 (E_RNA)
where:
Base-Base interactions energy: -333.568
where: short stacking energy: -235.115
Base-Backbone interact. energy: -0.782
local terms energy: -320.830966
where:
bonds (distance) C4'-P energy: -79.629
bonds (distance) P-C4' energy: -86.235
flat angles C4'-P-C4' energy: -68.698
flat angles P-C4'-P energy: -48.222
tors. eta vs tors. theta energy: -38.047
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: 1
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -517.723737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.723737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.723737 (E_RNA)
where:
Base-Base interactions energy: -212.376
where: short stacking energy: -162.570
Base-Backbone interact. energy: 5.816
local terms energy: -311.163930
where:
bonds (distance) C4'-P energy: -73.127
bonds (distance) P-C4' energy: -85.625
flat angles C4'-P-C4' energy: -73.228
flat angles P-C4'-P energy: -54.745
tors. eta vs tors. theta energy: -24.439
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: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -417.512557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.512557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.512557 (E_RNA)
where:
Base-Base interactions energy: -153.620
where: short stacking energy: -137.433
Base-Backbone interact. energy: -1.190
local terms energy: -262.703355
where:
bonds (distance) C4'-P energy: -70.454
bonds (distance) P-C4' energy: -86.545
flat angles C4'-P-C4' energy: -78.505
flat angles P-C4'-P energy: -28.022
tors. eta vs tors. theta energy: 0.823
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: 2
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -394.957251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.957251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.957251 (E_RNA)
where:
Base-Base interactions energy: -155.228
where: short stacking energy: -120.463
Base-Backbone interact. energy: -0.189
local terms energy: -239.540354
where:
bonds (distance) C4'-P energy: -66.808
bonds (distance) P-C4' energy: -76.259
flat angles C4'-P-C4' energy: -58.517
flat angles P-C4'-P energy: -45.028
tors. eta vs tors. theta energy: 7.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -344.891619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.891619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.891619 (E_RNA)
where:
Base-Base interactions energy: -101.571
where: short stacking energy: -89.060
Base-Backbone interact. energy: 0.322
local terms energy: -243.643481
where:
bonds (distance) C4'-P energy: -79.804
bonds (distance) P-C4' energy: -83.106
flat angles C4'-P-C4' energy: -63.574
flat angles P-C4'-P energy: -23.054
tors. eta vs tors. theta energy: 5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1202.297228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.297228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.297228 (E_RNA)
where:
Base-Base interactions energy: -720.329
where: short stacking energy: -434.356
Base-Backbone interact. energy: -0.546
local terms energy: -481.422389
where:
bonds (distance) C4'-P energy: -97.270
bonds (distance) P-C4' energy: -86.601
flat angles C4'-P-C4' energy: -105.083
flat angles P-C4'-P energy: -55.315
tors. eta vs tors. theta energy: -137.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1137.182045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.182045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.182045 (E_RNA)
where:
Base-Base interactions energy: -669.571
where: short stacking energy: -411.257
Base-Backbone interact. energy: 1.231
local terms energy: -468.842618
where:
bonds (distance) C4'-P energy: -95.991
bonds (distance) P-C4' energy: -95.713
flat angles C4'-P-C4' energy: -100.776
flat angles P-C4'-P energy: -63.290
tors. eta vs tors. theta energy: -113.071
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: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -931.559134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.559134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.559134 (E_RNA)
where:
Base-Base interactions energy: -502.193
where: short stacking energy: -309.687
Base-Backbone interact. energy: -0.406
local terms energy: -428.960864
where:
bonds (distance) C4'-P energy: -97.265
bonds (distance) P-C4' energy: -94.350
flat angles C4'-P-C4' energy: -92.575
flat angles P-C4'-P energy: -62.094
tors. eta vs tors. theta energy: -82.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -755.314991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.314991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.314991 (E_RNA)
where:
Base-Base interactions energy: -385.545
where: short stacking energy: -227.513
Base-Backbone interact. energy: -3.201
local terms energy: -366.568917
where:
bonds (distance) C4'-P energy: -89.625
bonds (distance) P-C4' energy: -97.785
flat angles C4'-P-C4' energy: -83.513
flat angles P-C4'-P energy: -54.206
tors. eta vs tors. theta energy: -41.441
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: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -774.739491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.739491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.739491 (E_RNA)
where:
Base-Base interactions energy: -421.918
where: short stacking energy: -265.243
Base-Backbone interact. energy: 0.143
local terms energy: -352.963902
where:
bonds (distance) C4'-P energy: -71.223
bonds (distance) P-C4' energy: -75.023
flat angles C4'-P-C4' energy: -89.979
flat angles P-C4'-P energy: -64.017
tors. eta vs tors. theta energy: -52.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -628.449901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.449901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.449901 (E_RNA)
where:
Base-Base interactions energy: -304.201
where: short stacking energy: -203.441
Base-Backbone interact. energy: -1.628
local terms energy: -322.620031
where:
bonds (distance) C4'-P energy: -73.367
bonds (distance) P-C4' energy: -84.469
flat angles C4'-P-C4' energy: -77.877
flat angles P-C4'-P energy: -55.705
tors. eta vs tors. theta energy: -31.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -524.332918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.332918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.332918 (E_RNA)
where:
Base-Base interactions energy: -214.941
where: short stacking energy: -166.468
Base-Backbone interact. energy: -0.328
local terms energy: -309.063032
where:
bonds (distance) C4'-P energy: -77.255
bonds (distance) P-C4' energy: -89.101
flat angles C4'-P-C4' energy: -89.726
flat angles P-C4'-P energy: -44.355
tors. eta vs tors. theta energy: -8.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -432.252147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.252147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.252147 (E_RNA)
where:
Base-Base interactions energy: -148.645
where: short stacking energy: -136.136
Base-Backbone interact. energy: -0.710
local terms energy: -282.897021
where:
bonds (distance) C4'-P energy: -83.227
bonds (distance) P-C4' energy: -77.928
flat angles C4'-P-C4' energy: -72.394
flat angles P-C4'-P energy: -42.821
tors. eta vs tors. theta energy: -6.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -378.133723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.133723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.133723 (E_RNA)
where:
Base-Base interactions energy: -139.683
where: short stacking energy: -122.971
Base-Backbone interact. energy: -1.196
local terms energy: -237.253986
where:
bonds (distance) C4'-P energy: -75.402
bonds (distance) P-C4' energy: -75.945
flat angles C4'-P-C4' energy: -71.092
flat angles P-C4'-P energy: -23.898
tors. eta vs tors. theta energy: 9.083
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: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -357.042985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.042985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.042985 (E_RNA)
where:
Base-Base interactions energy: -123.483
where: short stacking energy: -117.056
Base-Backbone interact. energy: 3.625
local terms energy: -237.185862
where:
bonds (distance) C4'-P energy: -81.046
bonds (distance) P-C4' energy: -73.241
flat angles C4'-P-C4' energy: -73.613
flat angles P-C4'-P energy: -24.479
tors. eta vs tors. theta energy: 15.193
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1214.314637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.314637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.314637 (E_RNA)
where:
Base-Base interactions energy: -714.636
where: short stacking energy: -427.690
Base-Backbone interact. energy: 0.076
local terms energy: -499.754141
where:
bonds (distance) C4'-P energy: -99.655
bonds (distance) P-C4' energy: -99.050
flat angles C4'-P-C4' energy: -101.583
flat angles P-C4'-P energy: -68.853
tors. eta vs tors. theta energy: -130.612
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: 2, replica: 4
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1146.968178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.968178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.968178 (E_RNA)
where:
Base-Base interactions energy: -695.767
where: short stacking energy: -418.374
Base-Backbone interact. energy: -2.303
local terms energy: -448.897733
where:
bonds (distance) C4'-P energy: -87.607
bonds (distance) P-C4' energy: -82.928
flat angles C4'-P-C4' energy: -102.440
flat angles P-C4'-P energy: -57.038
tors. eta vs tors. theta energy: -118.884
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: 9
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -929.537336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.537336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.537336 (E_RNA)
where:
Base-Base interactions energy: -509.844
where: short stacking energy: -301.622
Base-Backbone interact. energy: -0.706
local terms energy: -418.987392
where:
bonds (distance) C4'-P energy: -88.913
bonds (distance) P-C4' energy: -90.562
flat angles C4'-P-C4' energy: -103.423
flat angles P-C4'-P energy: -53.266
tors. eta vs tors. theta energy: -82.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -801.461877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.461877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.461877 (E_RNA)
where:
Base-Base interactions energy: -427.632
where: short stacking energy: -251.003
Base-Backbone interact. energy: 1.181
local terms energy: -375.010886
where:
bonds (distance) C4'-P energy: -87.239
bonds (distance) P-C4' energy: -83.956
flat angles C4'-P-C4' energy: -96.487
flat angles P-C4'-P energy: -50.630
tors. eta vs tors. theta energy: -56.700
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: 455
Temperature: 1.100000
Total energy: -708.114545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.114545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.114545 (E_RNA)
where:
Base-Base interactions energy: -356.538
where: short stacking energy: -222.329
Base-Backbone interact. energy: -1.866
local terms energy: -349.711069
where:
bonds (distance) C4'-P energy: -81.259
bonds (distance) P-C4' energy: -83.715
flat angles C4'-P-C4' energy: -87.505
flat angles P-C4'-P energy: -63.386
tors. eta vs tors. theta energy: -33.846
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: 10
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -674.277282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.277282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.277282 (E_RNA)
where:
Base-Base interactions energy: -359.501
where: short stacking energy: -221.032
Base-Backbone interact. energy: -1.689
local terms energy: -313.086642
where:
bonds (distance) C4'-P energy: -70.512
bonds (distance) P-C4' energy: -81.145
flat angles C4'-P-C4' energy: -66.953
flat angles P-C4'-P energy: -55.079
tors. eta vs tors. theta energy: -39.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -567.915514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.915514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.915514 (E_RNA)
where:
Base-Base interactions energy: -252.801
where: short stacking energy: -166.607
Base-Backbone interact. energy: 0.420
local terms energy: -315.534432
where:
bonds (distance) C4'-P energy: -78.652
bonds (distance) P-C4' energy: -88.027
flat angles C4'-P-C4' energy: -71.960
flat angles P-C4'-P energy: -56.885
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -424.299211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.299211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.299211 (E_RNA)
where:
Base-Base interactions energy: -161.200
where: short stacking energy: -145.208
Base-Backbone interact. energy: 0.524
local terms energy: -263.622841
where:
bonds (distance) C4'-P energy: -71.604
bonds (distance) P-C4' energy: -87.152
flat angles C4'-P-C4' energy: -70.178
flat angles P-C4'-P energy: -35.629
tors. eta vs tors. theta energy: 0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -381.553486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.553486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.553486 (E_RNA)
where:
Base-Base interactions energy: -120.621
where: short stacking energy: -92.986
Base-Backbone interact. energy: -1.519
local terms energy: -259.413719
where:
bonds (distance) C4'-P energy: -59.823
bonds (distance) P-C4' energy: -91.529
flat angles C4'-P-C4' energy: -74.998
flat angles P-C4'-P energy: -40.238
tors. eta vs tors. theta energy: 7.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -354.659503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.659503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.659503 (E_RNA)
where:
Base-Base interactions energy: -118.188
where: short stacking energy: -105.650
Base-Backbone interact. energy: -2.871
local terms energy: -233.600572
where:
bonds (distance) C4'-P energy: -76.153
bonds (distance) P-C4' energy: -72.077
flat angles C4'-P-C4' energy: -62.416
flat angles P-C4'-P energy: -28.759
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1220.150663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.150663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.150663 (E_RNA)
where:
Base-Base interactions energy: -712.585
where: short stacking energy: -436.555
Base-Backbone interact. energy: -0.794
local terms energy: -506.772341
where:
bonds (distance) C4'-P energy: -92.346
bonds (distance) P-C4' energy: -98.454
flat angles C4'-P-C4' energy: -112.698
flat angles P-C4'-P energy: -66.521
tors. eta vs tors. theta energy: -136.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1137.633996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.633996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.633996 (E_RNA)
where:
Base-Base interactions energy: -683.815
where: short stacking energy: -393.000
Base-Backbone interact. energy: 0.325
local terms energy: -454.143833
where:
bonds (distance) C4'-P energy: -88.150
bonds (distance) P-C4' energy: -91.633
flat angles C4'-P-C4' energy: -92.847
flat angles P-C4'-P energy: -69.378
tors. eta vs tors. theta energy: -112.136
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: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -913.605656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.605656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.605656 (E_RNA)
where:
Base-Base interactions energy: -500.761
where: short stacking energy: -314.542
Base-Backbone interact. energy: -1.564
local terms energy: -411.280142
where:
bonds (distance) C4'-P energy: -87.288
bonds (distance) P-C4' energy: -102.434
flat angles C4'-P-C4' energy: -94.484
flat angles P-C4'-P energy: -50.206
tors. eta vs tors. theta energy: -76.868
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: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -771.503574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.503574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.503574 (E_RNA)
where:
Base-Base interactions energy: -394.128
where: short stacking energy: -252.991
Base-Backbone interact. energy: -0.269
local terms energy: -377.106964
where:
bonds (distance) C4'-P energy: -85.596
bonds (distance) P-C4' energy: -85.328
flat angles C4'-P-C4' energy: -89.841
flat angles P-C4'-P energy: -50.609
tors. eta vs tors. theta energy: -65.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -715.058979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.058979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.058979 (E_RNA)
where:
Base-Base interactions energy: -376.146
where: short stacking energy: -238.526
Base-Backbone interact. energy: -1.096
local terms energy: -337.817184
where:
bonds (distance) C4'-P energy: -82.696
bonds (distance) P-C4' energy: -86.237
flat angles C4'-P-C4' energy: -85.989
flat angles P-C4'-P energy: -42.640
tors. eta vs tors. theta energy: -40.255
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: 5
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -616.119606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.119606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.119606 (E_RNA)
where:
Base-Base interactions energy: -285.995
where: short stacking energy: -166.761
Base-Backbone interact. energy: -0.880
local terms energy: -329.244234
where:
bonds (distance) C4'-P energy: -81.115
bonds (distance) P-C4' energy: -96.609
flat angles C4'-P-C4' energy: -76.078
flat angles P-C4'-P energy: -50.354
tors. eta vs tors. theta energy: -25.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -530.921168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.921168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.921168 (E_RNA)
where:
Base-Base interactions energy: -211.597
where: short stacking energy: -165.124
Base-Backbone interact. energy: 1.503
local terms energy: -320.827043
where:
bonds (distance) C4'-P energy: -86.766
bonds (distance) P-C4' energy: -96.533
flat angles C4'-P-C4' energy: -80.004
flat angles P-C4'-P energy: -40.895
tors. eta vs tors. theta energy: -16.630
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: 2
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -412.233930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.233930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.233930 (E_RNA)
where:
Base-Base interactions energy: -139.854
where: short stacking energy: -112.996
Base-Backbone interact. energy: -0.639
local terms energy: -271.740663
where:
bonds (distance) C4'-P energy: -70.925
bonds (distance) P-C4' energy: -86.431
flat angles C4'-P-C4' energy: -77.892
flat angles P-C4'-P energy: -40.257
tors. eta vs tors. theta energy: 3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -406.058424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.058424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.058424 (E_RNA)
where:
Base-Base interactions energy: -154.255
where: short stacking energy: -133.895
Base-Backbone interact. energy: -1.085
local terms energy: -250.718905
where:
bonds (distance) C4'-P energy: -75.165
bonds (distance) P-C4' energy: -73.075
flat angles C4'-P-C4' energy: -58.818
flat angles P-C4'-P energy: -55.495
tors. eta vs tors. theta energy: 11.835
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: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -341.649372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.649372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.649372 (E_RNA)
where:
Base-Base interactions energy: -118.430
where: short stacking energy: -101.780
Base-Backbone interact. energy: 0.462
local terms energy: -223.681314
where:
bonds (distance) C4'-P energy: -76.586
bonds (distance) P-C4' energy: -78.674
flat angles C4'-P-C4' energy: -63.463
flat angles P-C4'-P energy: -33.652
tors. eta vs tors. theta energy: 28.693
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1184.536879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.536879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.536879 (E_RNA)
where:
Base-Base interactions energy: -710.580
where: short stacking energy: -426.195
Base-Backbone interact. energy: 0.477
local terms energy: -474.433867
where:
bonds (distance) C4'-P energy: -86.704
bonds (distance) P-C4' energy: -88.124
flat angles C4'-P-C4' energy: -99.462
flat angles P-C4'-P energy: -64.631
tors. eta vs tors. theta energy: -135.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1130.798865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.798865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.798865 (E_RNA)
where:
Base-Base interactions energy: -680.801
where: short stacking energy: -393.790
Base-Backbone interact. energy: -1.550
local terms energy: -448.447702
where:
bonds (distance) C4'-P energy: -92.539
bonds (distance) P-C4' energy: -100.530
flat angles C4'-P-C4' energy: -94.743
flat angles P-C4'-P energy: -62.512
tors. eta vs tors. theta energy: -98.124
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: 9
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -926.384246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.384246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.384246 (E_RNA)
where:
Base-Base interactions energy: -513.637
where: short stacking energy: -316.278
Base-Backbone interact. energy: -0.039
local terms energy: -412.708034
where:
bonds (distance) C4'-P energy: -85.117
bonds (distance) P-C4' energy: -91.970
flat angles C4'-P-C4' energy: -93.245
flat angles P-C4'-P energy: -62.717
tors. eta vs tors. theta energy: -79.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -813.998374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.998374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.998374 (E_RNA)
where:
Base-Base interactions energy: -419.414
where: short stacking energy: -280.197
Base-Backbone interact. energy: -1.653
local terms energy: -392.931105
where:
bonds (distance) C4'-P energy: -75.642
bonds (distance) P-C4' energy: -101.368
flat angles C4'-P-C4' energy: -75.522
flat angles P-C4'-P energy: -63.419
tors. eta vs tors. theta energy: -76.979
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: 5, replica: 10
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -740.637108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.637108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.637108 (E_RNA)
where:
Base-Base interactions energy: -387.727
where: short stacking energy: -261.172
Base-Backbone interact. energy: 0.442
local terms energy: -353.351822
where:
bonds (distance) C4'-P energy: -73.626
bonds (distance) P-C4' energy: -88.854
flat angles C4'-P-C4' energy: -80.436
flat angles P-C4'-P energy: -61.896
tors. eta vs tors. theta energy: -48.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -600.835803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.835803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.835803 (E_RNA)
where:
Base-Base interactions energy: -268.877
where: short stacking energy: -173.918
Base-Backbone interact. energy: -1.372
local terms energy: -330.587208
where:
bonds (distance) C4'-P energy: -87.241
bonds (distance) P-C4' energy: -82.303
flat angles C4'-P-C4' energy: -86.799
flat angles P-C4'-P energy: -47.128
tors. eta vs tors. theta energy: -27.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -506.377672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.377672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.377672 (E_RNA)
where:
Base-Base interactions energy: -225.540
where: short stacking energy: -161.833
Base-Backbone interact. energy: 0.359
local terms energy: -281.195991
where:
bonds (distance) C4'-P energy: -60.634
bonds (distance) P-C4' energy: -80.997
flat angles C4'-P-C4' energy: -76.420
flat angles P-C4'-P energy: -58.408
tors. eta vs tors. theta energy: -4.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -421.467490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.467490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.467490 (E_RNA)
where:
Base-Base interactions energy: -131.456
where: short stacking energy: -127.851
Base-Backbone interact. energy: -1.171
local terms energy: -288.840344
where:
bonds (distance) C4'-P energy: -82.531
bonds (distance) P-C4' energy: -95.458
flat angles C4'-P-C4' energy: -65.892
flat angles P-C4'-P energy: -42.985
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: 7
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -373.914036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.914036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.914036 (E_RNA)
where:
Base-Base interactions energy: -135.466
where: short stacking energy: -107.936
Base-Backbone interact. energy: -2.445
local terms energy: -236.003488
where:
bonds (distance) C4'-P energy: -74.572
bonds (distance) P-C4' energy: -84.691
flat angles C4'-P-C4' energy: -54.684
flat angles P-C4'-P energy: -27.576
tors. eta vs tors. theta energy: 5.520
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: 10, replica: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -356.889794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.889794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.889794 (E_RNA)
where:
Base-Base interactions energy: -106.868
where: short stacking energy: -89.859
Base-Backbone interact. energy: 2.877
local terms energy: -252.899369
where:
bonds (distance) C4'-P energy: -87.852
bonds (distance) P-C4' energy: -78.880
flat angles C4'-P-C4' energy: -48.981
flat angles P-C4'-P energy: -45.587
tors. eta vs tors. theta energy: 8.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1234.953948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.953948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.953948 (E_RNA)
where:
Base-Base interactions energy: -719.581
where: short stacking energy: -422.167
Base-Backbone interact. energy: -0.928
local terms energy: -514.445241
where:
bonds (distance) C4'-P energy: -97.167
bonds (distance) P-C4' energy: -97.374
flat angles C4'-P-C4' energy: -107.069
flat angles P-C4'-P energy: -83.317
tors. eta vs tors. theta energy: -129.517
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: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1123.480100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.480100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.480100 (E_RNA)
where:
Base-Base interactions energy: -653.167
where: short stacking energy: -389.606
Base-Backbone interact. energy: -1.931
local terms energy: -468.382393
where:
bonds (distance) C4'-P energy: -95.141
bonds (distance) P-C4' energy: -100.424
flat angles C4'-P-C4' energy: -94.016
flat angles P-C4'-P energy: -67.404
tors. eta vs tors. theta energy: -111.398
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: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -925.466498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.466498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.466498 (E_RNA)
where:
Base-Base interactions energy: -506.255
where: short stacking energy: -335.533
Base-Backbone interact. energy: -0.695
local terms energy: -418.515740
where:
bonds (distance) C4'-P energy: -92.596
bonds (distance) P-C4' energy: -86.908
flat angles C4'-P-C4' energy: -93.628
flat angles P-C4'-P energy: -48.593
tors. eta vs tors. theta energy: -96.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -822.682845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.682845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.682845 (E_RNA)
where:
Base-Base interactions energy: -425.067
where: short stacking energy: -273.242
Base-Backbone interact. energy: 0.695
local terms energy: -398.310830
where:
bonds (distance) C4'-P energy: -94.393
bonds (distance) P-C4' energy: -87.686
flat angles C4'-P-C4' energy: -87.686
flat angles P-C4'-P energy: -58.751
tors. eta vs tors. theta energy: -69.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -693.863769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.863769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.863769 (E_RNA)
where:
Base-Base interactions energy: -343.758
where: short stacking energy: -219.542
Base-Backbone interact. energy: -0.894
local terms energy: -349.211388
where:
bonds (distance) C4'-P energy: -86.454
bonds (distance) P-C4' energy: -71.312
flat angles C4'-P-C4' energy: -93.087
flat angles P-C4'-P energy: -50.559
tors. eta vs tors. theta energy: -47.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -606.856277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.856277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.856277 (E_RNA)
where:
Base-Base interactions energy: -281.263
where: short stacking energy: -207.120
Base-Backbone interact. energy: -1.461
local terms energy: -324.132369
where:
bonds (distance) C4'-P energy: -73.757
bonds (distance) P-C4' energy: -85.561
flat angles C4'-P-C4' energy: -76.568
flat angles P-C4'-P energy: -52.019
tors. eta vs tors. theta energy: -36.227
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: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -528.614585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.614585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.614585 (E_RNA)
where:
Base-Base interactions energy: -220.976
where: short stacking energy: -178.517
Base-Backbone interact. energy: -1.904
local terms energy: -305.734995
where:
bonds (distance) C4'-P energy: -85.801
bonds (distance) P-C4' energy: -67.699
flat angles C4'-P-C4' energy: -77.382
flat angles P-C4'-P energy: -58.640
tors. eta vs tors. theta energy: -16.212
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: 8, replica: 2
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -468.954347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.954347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.954347 (E_RNA)
where:
Base-Base interactions energy: -162.555
where: short stacking energy: -156.245
Base-Backbone interact. energy: 1.785
local terms energy: -308.184299
where:
bonds (distance) C4'-P energy: -80.777
bonds (distance) P-C4' energy: -94.947
flat angles C4'-P-C4' energy: -75.232
flat angles P-C4'-P energy: -46.599
tors. eta vs tors. theta energy: -10.629
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: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -364.891592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.891592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.891592 (E_RNA)
where:
Base-Base interactions energy: -103.225
where: short stacking energy: -99.667
Base-Backbone interact. energy: -1.828
local terms energy: -259.837858
where:
bonds (distance) C4'-P energy: -81.644
bonds (distance) P-C4' energy: -86.368
flat angles C4'-P-C4' energy: -59.452
flat angles P-C4'-P energy: -41.007
tors. eta vs tors. theta energy: 8.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -353.727912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.727912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.727912 (E_RNA)
where:
Base-Base interactions energy: -126.646
where: short stacking energy: -100.697
Base-Backbone interact. energy: 3.120
local terms energy: -230.201634
where:
bonds (distance) C4'-P energy: -76.438
bonds (distance) P-C4' energy: -84.859
flat angles C4'-P-C4' energy: -56.663
flat angles P-C4'-P energy: -20.833
tors. eta vs tors. theta energy: 8.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1200.687325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.687325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.687325 (E_RNA)
where:
Base-Base interactions energy: -719.743
where: short stacking energy: -426.637
Base-Backbone interact. energy: 0.174
local terms energy: -481.118443
where:
bonds (distance) C4'-P energy: -85.981
bonds (distance) P-C4' energy: -96.659
flat angles C4'-P-C4' energy: -101.449
flat angles P-C4'-P energy: -65.181
tors. eta vs tors. theta energy: -131.848
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: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1139.004486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.004486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.004486 (E_RNA)
where:
Base-Base interactions energy: -688.767
where: short stacking energy: -397.961
Base-Backbone interact. energy: -2.122
local terms energy: -448.115639
where:
bonds (distance) C4'-P energy: -86.454
bonds (distance) P-C4' energy: -89.093
flat angles C4'-P-C4' energy: -97.520
flat angles P-C4'-P energy: -65.772
tors. eta vs tors. theta energy: -109.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -938.508270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.508270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.508270 (E_RNA)
where:
Base-Base interactions energy: -507.970
where: short stacking energy: -315.218
Base-Backbone interact. energy: 1.632
local terms energy: -432.170128
where:
bonds (distance) C4'-P energy: -83.644
bonds (distance) P-C4' energy: -89.314
flat angles C4'-P-C4' energy: -102.709
flat angles P-C4'-P energy: -71.105
tors. eta vs tors. theta energy: -85.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -856.617588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.617588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.617588 (E_RNA)
where:
Base-Base interactions energy: -450.902
where: short stacking energy: -264.305
Base-Backbone interact. energy: -0.751
local terms energy: -404.964381
where:
bonds (distance) C4'-P energy: -90.491
bonds (distance) P-C4' energy: -94.983
flat angles C4'-P-C4' energy: -93.652
flat angles P-C4'-P energy: -63.335
tors. eta vs tors. theta energy: -62.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -657.153600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.153600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.153600 (E_RNA)
where:
Base-Base interactions energy: -329.862
where: short stacking energy: -201.514
Base-Backbone interact. energy: -2.030
local terms energy: -325.261902
where:
bonds (distance) C4'-P energy: -86.038
bonds (distance) P-C4' energy: -89.693
flat angles C4'-P-C4' energy: -74.933
flat angles P-C4'-P energy: -45.211
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: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -578.711623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.711623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.711623 (E_RNA)
where:
Base-Base interactions energy: -271.985
where: short stacking energy: -181.091
Base-Backbone interact. energy: 1.936
local terms energy: -308.662327
where:
bonds (distance) C4'-P energy: -88.474
bonds (distance) P-C4' energy: -91.595
flat angles C4'-P-C4' energy: -65.958
flat angles P-C4'-P energy: -38.343
tors. eta vs tors. theta energy: -24.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -523.869145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.869145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.869145 (E_RNA)
where:
Base-Base interactions energy: -236.024
where: short stacking energy: -175.774
Base-Backbone interact. energy: 2.695
local terms energy: -290.539618
where:
bonds (distance) C4'-P energy: -80.955
bonds (distance) P-C4' energy: -90.875
flat angles C4'-P-C4' energy: -74.315
flat angles P-C4'-P energy: -29.816
tors. eta vs tors. theta energy: -14.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -429.704261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.704261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.704261 (E_RNA)
where:
Base-Base interactions energy: -147.992
where: short stacking energy: -117.101
Base-Backbone interact. energy: 4.716
local terms energy: -286.428070
where:
bonds (distance) C4'-P energy: -80.385
bonds (distance) P-C4' energy: -78.272
flat angles C4'-P-C4' energy: -89.303
flat angles P-C4'-P energy: -46.278
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: 2
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -366.780948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.780948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.780948 (E_RNA)
where:
Base-Base interactions energy: -114.430
where: short stacking energy: -98.486
Base-Backbone interact. energy: 0.489
local terms energy: -252.840156
where:
bonds (distance) C4'-P energy: -66.929
bonds (distance) P-C4' energy: -81.410
flat angles C4'-P-C4' energy: -60.979
flat angles P-C4'-P energy: -55.518
tors. eta vs tors. theta energy: 11.995
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: 10, replica: 7
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -332.238355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.238355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.238355 (E_RNA)
where:
Base-Base interactions energy: -93.768
where: short stacking energy: -82.501
Base-Backbone interact. energy: -0.945
local terms energy: -237.525518
where:
bonds (distance) C4'-P energy: -60.089
bonds (distance) P-C4' energy: -81.502
flat angles C4'-P-C4' energy: -79.313
flat angles P-C4'-P energy: -42.745
tors. eta vs tors. theta energy: 26.123
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1175.415295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.415295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.415295 (E_RNA)
where:
Base-Base interactions energy: -717.377
where: short stacking energy: -389.478
Base-Backbone interact. energy: 0.323
local terms energy: -458.361273
where:
bonds (distance) C4'-P energy: -81.400
bonds (distance) P-C4' energy: -96.928
flat angles C4'-P-C4' energy: -97.008
flat angles P-C4'-P energy: -68.708
tors. eta vs tors. theta energy: -114.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1144.455553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.455553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.455553 (E_RNA)
where:
Base-Base interactions energy: -669.647
where: short stacking energy: -384.879
Base-Backbone interact. energy: -0.922
local terms energy: -473.886422
where:
bonds (distance) C4'-P energy: -95.968
bonds (distance) P-C4' energy: -86.771
flat angles C4'-P-C4' energy: -103.747
flat angles P-C4'-P energy: -75.094
tors. eta vs tors. theta energy: -112.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -924.322403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.322403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.322403 (E_RNA)
where:
Base-Base interactions energy: -514.738
where: short stacking energy: -306.133
Base-Backbone interact. energy: 1.519
local terms energy: -411.103412
where:
bonds (distance) C4'-P energy: -82.566
bonds (distance) P-C4' energy: -93.769
flat angles C4'-P-C4' energy: -90.807
flat angles P-C4'-P energy: -74.164
tors. eta vs tors. theta energy: -69.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -813.828625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.828625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.828625 (E_RNA)
where:
Base-Base interactions energy: -439.254
where: short stacking energy: -271.085
Base-Backbone interact. energy: -2.647
local terms energy: -371.927604
where:
bonds (distance) C4'-P energy: -85.058
bonds (distance) P-C4' energy: -88.039
flat angles C4'-P-C4' energy: -78.967
flat angles P-C4'-P energy: -51.982
tors. eta vs tors. theta energy: -67.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -656.994175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.994175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.994175 (E_RNA)
where:
Base-Base interactions energy: -321.119
where: short stacking energy: -219.676
Base-Backbone interact. energy: -0.866
local terms energy: -335.009248
where:
bonds (distance) C4'-P energy: -79.142
bonds (distance) P-C4' energy: -87.003
flat angles C4'-P-C4' energy: -81.190
flat angles P-C4'-P energy: -58.287
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: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -661.786876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.786876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.786876 (E_RNA)
where:
Base-Base interactions energy: -326.674
where: short stacking energy: -224.936
Base-Backbone interact. energy: -2.539
local terms energy: -332.573609
where:
bonds (distance) C4'-P energy: -83.253
bonds (distance) P-C4' energy: -81.249
flat angles C4'-P-C4' energy: -71.131
flat angles P-C4'-P energy: -54.800
tors. eta vs tors. theta energy: -42.141
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: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -466.615715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.615715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.615715 (E_RNA)
where:
Base-Base interactions energy: -222.222
where: short stacking energy: -151.843
Base-Backbone interact. energy: -0.128
local terms energy: -244.265095
where:
bonds (distance) C4'-P energy: -68.916
bonds (distance) P-C4' energy: -70.101
flat angles C4'-P-C4' energy: -63.794
flat angles P-C4'-P energy: -41.095
tors. eta vs tors. theta energy: -0.359
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: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -399.587025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.587025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.587025 (E_RNA)
where:
Base-Base interactions energy: -141.683
where: short stacking energy: -125.768
Base-Backbone interact. energy: -1.105
local terms energy: -256.798718
where:
bonds (distance) C4'-P energy: -65.692
bonds (distance) P-C4' energy: -95.381
flat angles C4'-P-C4' energy: -66.358
flat angles P-C4'-P energy: -30.127
tors. eta vs tors. theta energy: 0.760
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: 9, replica: 2
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -388.446253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.446253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.446253 (E_RNA)
where:
Base-Base interactions energy: -143.497
where: short stacking energy: -127.374
Base-Backbone interact. energy: 3.315
local terms energy: -248.264286
where:
bonds (distance) C4'-P energy: -64.613
bonds (distance) P-C4' energy: -86.427
flat angles C4'-P-C4' energy: -60.899
flat angles P-C4'-P energy: -42.533
tors. eta vs tors. theta energy: 6.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -351.987018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.987018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.987018 (E_RNA)
where:
Base-Base interactions energy: -85.869
where: short stacking energy: -69.062
Base-Backbone interact. energy: 2.856
local terms energy: -268.974165
where:
bonds (distance) C4'-P energy: -86.393
bonds (distance) P-C4' energy: -94.054
flat angles C4'-P-C4' energy: -78.829
flat angles P-C4'-P energy: -24.074
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1235.226188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.226188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.226188 (E_RNA)
where:
Base-Base interactions energy: -749.744
where: short stacking energy: -431.661
Base-Backbone interact. energy: -1.008
local terms energy: -484.473990
where:
bonds (distance) C4'-P energy: -94.509
bonds (distance) P-C4' energy: -91.467
flat angles C4'-P-C4' energy: -102.285
flat angles P-C4'-P energy: -59.854
tors. eta vs tors. theta energy: -136.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1183.399460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.399460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.399460 (E_RNA)
where:
Base-Base interactions energy: -711.440
where: short stacking energy: -412.651
Base-Backbone interact. energy: -0.974
local terms energy: -470.985908
where:
bonds (distance) C4'-P energy: -93.492
bonds (distance) P-C4' energy: -86.939
flat angles C4'-P-C4' energy: -100.638
flat angles P-C4'-P energy: -65.354
tors. eta vs tors. theta energy: -124.562
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: 3, replica: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -901.453422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.453422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.453422 (E_RNA)
where:
Base-Base interactions energy: -496.197
where: short stacking energy: -293.307
Base-Backbone interact. energy: -0.617
local terms energy: -404.638836
where:
bonds (distance) C4'-P energy: -76.263
bonds (distance) P-C4' energy: -88.376
flat angles C4'-P-C4' energy: -93.173
flat angles P-C4'-P energy: -67.853
tors. eta vs tors. theta energy: -78.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -848.651783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.651783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.651783 (E_RNA)
where:
Base-Base interactions energy: -461.275
where: short stacking energy: -307.160
Base-Backbone interact. energy: -0.520
local terms energy: -386.857476
where:
bonds (distance) C4'-P energy: -89.167
bonds (distance) P-C4' energy: -88.997
flat angles C4'-P-C4' energy: -78.555
flat angles P-C4'-P energy: -51.810
tors. eta vs tors. theta energy: -78.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -709.150632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.150632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.150632 (E_RNA)
where:
Base-Base interactions energy: -346.869
where: short stacking energy: -252.120
Base-Backbone interact. energy: -1.429
local terms energy: -360.852701
where:
bonds (distance) C4'-P energy: -74.738
bonds (distance) P-C4' energy: -89.843
flat angles C4'-P-C4' energy: -93.685
flat angles P-C4'-P energy: -55.294
tors. eta vs tors. theta energy: -47.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -628.758274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.758274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.758274 (E_RNA)
where:
Base-Base interactions energy: -287.663
where: short stacking energy: -203.309
Base-Backbone interact. energy: 1.705
local terms energy: -342.799676
where:
bonds (distance) C4'-P energy: -91.022
bonds (distance) P-C4' energy: -76.551
flat angles C4'-P-C4' energy: -80.862
flat angles P-C4'-P energy: -50.672
tors. eta vs tors. theta energy: -43.692
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: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -468.812782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.812782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.812782 (E_RNA)
where:
Base-Base interactions energy: -177.810
where: short stacking energy: -147.931
Base-Backbone interact. energy: -0.802
local terms energy: -290.201586
where:
bonds (distance) C4'-P energy: -77.700
bonds (distance) P-C4' energy: -86.822
flat angles C4'-P-C4' energy: -82.222
flat angles P-C4'-P energy: -45.179
tors. eta vs tors. theta energy: 1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -421.969744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.969744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.969744 (E_RNA)
where:
Base-Base interactions energy: -141.136
where: short stacking energy: -139.128
Base-Backbone interact. energy: 4.205
local terms energy: -285.039144
where:
bonds (distance) C4'-P energy: -74.671
bonds (distance) P-C4' energy: -83.216
flat angles C4'-P-C4' energy: -82.143
flat angles P-C4'-P energy: -46.061
tors. eta vs tors. theta energy: 1.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -401.637514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.637514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.637514 (E_RNA)
where:
Base-Base interactions energy: -133.154
where: short stacking energy: -126.621
Base-Backbone interact. energy: 1.001
local terms energy: -269.484167
where:
bonds (distance) C4'-P energy: -87.951
bonds (distance) P-C4' energy: -70.508
flat angles C4'-P-C4' energy: -60.695
flat angles P-C4'-P energy: -36.789
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -358.905692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.905692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.905692 (E_RNA)
where:
Base-Base interactions energy: -118.373
where: short stacking energy: -82.818
Base-Backbone interact. energy: -1.539
local terms energy: -238.993978
where:
bonds (distance) C4'-P energy: -71.955
bonds (distance) P-C4' energy: -76.941
flat angles C4'-P-C4' energy: -67.606
flat angles P-C4'-P energy: -44.277
tors. eta vs tors. theta energy: 21.786
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1256.801491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.801491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.801491 (E_RNA)
where:
Base-Base interactions energy: -759.409
where: short stacking energy: -443.122
Base-Backbone interact. energy: 0.158
local terms energy: -497.550508
where:
bonds (distance) C4'-P energy: -90.885
bonds (distance) P-C4' energy: -99.525
flat angles C4'-P-C4' energy: -107.101
flat angles P-C4'-P energy: -61.169
tors. eta vs tors. theta energy: -138.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1134.644283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.644283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.644283 (E_RNA)
where:
Base-Base interactions energy: -675.109
where: short stacking energy: -408.952
Base-Backbone interact. energy: -1.789
local terms energy: -457.746661
where:
bonds (distance) C4'-P energy: -67.417
bonds (distance) P-C4' energy: -95.602
flat angles C4'-P-C4' energy: -110.292
flat angles P-C4'-P energy: -65.684
tors. eta vs tors. theta energy: -118.752
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: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -925.018946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.018946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.018946 (E_RNA)
where:
Base-Base interactions energy: -517.518
where: short stacking energy: -315.812
Base-Backbone interact. energy: -0.525
local terms energy: -406.975316
where:
bonds (distance) C4'-P energy: -79.661
bonds (distance) P-C4' energy: -94.600
flat angles C4'-P-C4' energy: -94.635
flat angles P-C4'-P energy: -64.415
tors. eta vs tors. theta energy: -73.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -854.538767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.538767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.538767 (E_RNA)
where:
Base-Base interactions energy: -481.393
where: short stacking energy: -300.941
Base-Backbone interact. energy: -0.930
local terms energy: -372.216483
where:
bonds (distance) C4'-P energy: -79.835
bonds (distance) P-C4' energy: -86.168
flat angles C4'-P-C4' energy: -84.641
flat angles P-C4'-P energy: -53.761
tors. eta vs tors. theta energy: -67.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -673.476901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.476901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.476901 (E_RNA)
where:
Base-Base interactions energy: -329.518
where: short stacking energy: -235.060
Base-Backbone interact. energy: 2.596
local terms energy: -346.554770
where:
bonds (distance) C4'-P energy: -85.830
bonds (distance) P-C4' energy: -83.035
flat angles C4'-P-C4' energy: -82.244
flat angles P-C4'-P energy: -53.884
tors. eta vs tors. theta energy: -41.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -567.989297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.989297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.989297 (E_RNA)
where:
Base-Base interactions energy: -257.028
where: short stacking energy: -164.620
Base-Backbone interact. energy: -0.424
local terms energy: -310.537542
where:
bonds (distance) C4'-P energy: -83.566
bonds (distance) P-C4' energy: -82.935
flat angles C4'-P-C4' energy: -82.977
flat angles P-C4'-P energy: -49.116
tors. eta vs tors. theta energy: -11.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -462.322524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.322524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.322524 (E_RNA)
where:
Base-Base interactions energy: -154.751
where: short stacking energy: -140.267
Base-Backbone interact. energy: -1.524
local terms energy: -306.047988
where:
bonds (distance) C4'-P energy: -77.683
bonds (distance) P-C4' energy: -85.933
flat angles C4'-P-C4' energy: -80.044
flat angles P-C4'-P energy: -43.033
tors. eta vs tors. theta energy: -19.355
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: 2
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -428.066463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.066463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.066463 (E_RNA)
where:
Base-Base interactions energy: -155.371
where: short stacking energy: -142.754
Base-Backbone interact. energy: 3.269
local terms energy: -275.964028
where:
bonds (distance) C4'-P energy: -81.293
bonds (distance) P-C4' energy: -88.933
flat angles C4'-P-C4' energy: -69.895
flat angles P-C4'-P energy: -44.156
tors. eta vs tors. theta energy: 8.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -390.435611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.435611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.435611 (E_RNA)
where:
Base-Base interactions energy: -139.711
where: short stacking energy: -109.453
Base-Backbone interact. energy: 1.927
local terms energy: -252.651206
where:
bonds (distance) C4'-P energy: -83.903
bonds (distance) P-C4' energy: -78.635
flat angles C4'-P-C4' energy: -61.077
flat angles P-C4'-P energy: -35.922
tors. eta vs tors. theta energy: 6.886
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: 1
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -337.858448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.858448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.858448 (E_RNA)
where:
Base-Base interactions energy: -101.878
where: short stacking energy: -101.036
Base-Backbone interact. energy: -1.706
local terms energy: -234.275190
where:
bonds (distance) C4'-P energy: -68.714
bonds (distance) P-C4' energy: -81.632
flat angles C4'-P-C4' energy: -64.420
flat angles P-C4'-P energy: -32.142
tors. eta vs tors. theta energy: 12.632
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1229.057299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.057299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.057299 (E_RNA)
where:
Base-Base interactions energy: -727.211
where: short stacking energy: -427.842
Base-Backbone interact. energy: -1.392
local terms energy: -500.454195
where:
bonds (distance) C4'-P energy: -87.095
bonds (distance) P-C4' energy: -94.423
flat angles C4'-P-C4' energy: -113.178
flat angles P-C4'-P energy: -67.857
tors. eta vs tors. theta energy: -137.902
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: 463
Temperature: 0.950000
Total energy: -1148.154687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.154687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.154687 (E_RNA)
where:
Base-Base interactions energy: -685.079
where: short stacking energy: -405.873
Base-Backbone interact. energy: 2.155
local terms energy: -465.230957
where:
bonds (distance) C4'-P energy: -82.887
bonds (distance) P-C4' energy: -84.422
flat angles C4'-P-C4' energy: -108.815
flat angles P-C4'-P energy: -73.043
tors. eta vs tors. theta energy: -116.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -905.541423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.541423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.541423 (E_RNA)
where:
Base-Base interactions energy: -486.852
where: short stacking energy: -299.574
Base-Backbone interact. energy: -1.281
local terms energy: -417.408346
where:
bonds (distance) C4'-P energy: -96.352
bonds (distance) P-C4' energy: -88.043
flat angles C4'-P-C4' energy: -101.608
flat angles P-C4'-P energy: -55.989
tors. eta vs tors. theta energy: -75.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -857.637834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.637834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.637834 (E_RNA)
where:
Base-Base interactions energy: -455.393
where: short stacking energy: -296.682
Base-Backbone interact. energy: -0.716
local terms energy: -401.528204
where:
bonds (distance) C4'-P energy: -90.480
bonds (distance) P-C4' energy: -79.867
flat angles C4'-P-C4' energy: -92.564
flat angles P-C4'-P energy: -59.437
tors. eta vs tors. theta energy: -79.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -667.905725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.905725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.905725 (E_RNA)
where:
Base-Base interactions energy: -332.879
where: short stacking energy: -238.867
Base-Backbone interact. energy: 2.711
local terms energy: -337.736879
where:
bonds (distance) C4'-P energy: -87.572
bonds (distance) P-C4' energy: -80.677
flat angles C4'-P-C4' energy: -78.329
flat angles P-C4'-P energy: -38.954
tors. eta vs tors. theta energy: -52.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -565.988766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.988766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.988766 (E_RNA)
where:
Base-Base interactions energy: -274.900
where: short stacking energy: -201.748
Base-Backbone interact. energy: -1.415
local terms energy: -289.673486
where:
bonds (distance) C4'-P energy: -56.226
bonds (distance) P-C4' energy: -83.528
flat angles C4'-P-C4' energy: -79.632
flat angles P-C4'-P energy: -47.781
tors. eta vs tors. theta energy: -22.507
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: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -451.353395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.353395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.353395 (E_RNA)
where:
Base-Base interactions energy: -166.807
where: short stacking energy: -146.967
Base-Backbone interact. energy: -1.297
local terms energy: -283.250178
where:
bonds (distance) C4'-P energy: -82.539
bonds (distance) P-C4' energy: -72.378
flat angles C4'-P-C4' energy: -71.674
flat angles P-C4'-P energy: -47.295
tors. eta vs tors. theta energy: -9.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -434.792517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.792517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.792517 (E_RNA)
where:
Base-Base interactions energy: -155.595
where: short stacking energy: -137.421
Base-Backbone interact. energy: -0.682
local terms energy: -278.515105
where:
bonds (distance) C4'-P energy: -83.134
bonds (distance) P-C4' energy: -86.631
flat angles C4'-P-C4' energy: -65.110
flat angles P-C4'-P energy: -43.314
tors. eta vs tors. theta energy: -0.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -383.318355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.318355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.318355 (E_RNA)
where:
Base-Base interactions energy: -133.949
where: short stacking energy: -119.621
Base-Backbone interact. energy: 3.638
local terms energy: -253.007196
where:
bonds (distance) C4'-P energy: -75.221
bonds (distance) P-C4' energy: -82.057
flat angles C4'-P-C4' energy: -70.016
flat angles P-C4'-P energy: -30.866
tors. eta vs tors. theta energy: 5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -362.059278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.059278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.059278 (E_RNA)
where:
Base-Base interactions energy: -103.854
where: short stacking energy: -94.449
Base-Backbone interact. energy: 3.958
local terms energy: -262.162521
where:
bonds (distance) C4'-P energy: -81.370
bonds (distance) P-C4' energy: -88.087
flat angles C4'-P-C4' energy: -66.770
flat angles P-C4'-P energy: -43.310
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1244.921378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.921378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.921378 (E_RNA)
where:
Base-Base interactions energy: -735.423
where: short stacking energy: -433.108
Base-Backbone interact. energy: -0.390
local terms energy: -509.107541
where:
bonds (distance) C4'-P energy: -101.537
bonds (distance) P-C4' energy: -95.588
flat angles C4'-P-C4' energy: -100.519
flat angles P-C4'-P energy: -70.722
tors. eta vs tors. theta energy: -140.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1108.032112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.032112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.032112 (E_RNA)
where:
Base-Base interactions energy: -683.898
where: short stacking energy: -377.642
Base-Backbone interact. energy: -0.546
local terms energy: -423.587454
where:
bonds (distance) C4'-P energy: -82.447
bonds (distance) P-C4' energy: -80.922
flat angles C4'-P-C4' energy: -102.526
flat angles P-C4'-P energy: -59.122
tors. eta vs tors. theta energy: -98.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -952.394321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.394321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.394321 (E_RNA)
where:
Base-Base interactions energy: -525.830
where: short stacking energy: -351.965
Base-Backbone interact. energy: -0.779
local terms energy: -425.784859
where:
bonds (distance) C4'-P energy: -81.476
bonds (distance) P-C4' energy: -76.204
flat angles C4'-P-C4' energy: -95.629
flat angles P-C4'-P energy: -66.752
tors. eta vs tors. theta energy: -105.724
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: 4, replica: 9
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -849.132973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.132973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.132973 (E_RNA)
where:
Base-Base interactions energy: -459.264
where: short stacking energy: -274.253
Base-Backbone interact. energy: 0.865
local terms energy: -390.734282
where:
bonds (distance) C4'-P energy: -87.471
bonds (distance) P-C4' energy: -90.227
flat angles C4'-P-C4' energy: -87.664
flat angles P-C4'-P energy: -55.707
tors. eta vs tors. theta energy: -69.665
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: 464
Temperature: 1.100000
Total energy: -673.771884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.771884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.771884 (E_RNA)
where:
Base-Base interactions energy: -336.072
where: short stacking energy: -221.355
Base-Backbone interact. energy: -1.738
local terms energy: -335.962761
where:
bonds (distance) C4'-P energy: -81.646
bonds (distance) P-C4' energy: -72.253
flat angles C4'-P-C4' energy: -84.685
flat angles P-C4'-P energy: -48.250
tors. eta vs tors. theta energy: -49.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -593.289912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.289912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.289912 (E_RNA)
where:
Base-Base interactions energy: -269.727
where: short stacking energy: -178.791
Base-Backbone interact. energy: -1.001
local terms energy: -322.561765
where:
bonds (distance) C4'-P energy: -89.491
bonds (distance) P-C4' energy: -68.225
flat angles C4'-P-C4' energy: -88.067
flat angles P-C4'-P energy: -44.795
tors. eta vs tors. theta energy: -31.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -449.497516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.497516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.497516 (E_RNA)
where:
Base-Base interactions energy: -143.909
where: short stacking energy: -109.187
Base-Backbone interact. energy: -1.956
local terms energy: -303.631651
where:
bonds (distance) C4'-P energy: -80.777
bonds (distance) P-C4' energy: -96.383
flat angles C4'-P-C4' energy: -68.711
flat angles P-C4'-P energy: -53.723
tors. eta vs tors. theta energy: -4.037
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: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -410.507843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.507843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.507843 (E_RNA)
where:
Base-Base interactions energy: -139.256
where: short stacking energy: -113.707
Base-Backbone interact. energy: 0.254
local terms energy: -271.505814
where:
bonds (distance) C4'-P energy: -70.457
bonds (distance) P-C4' energy: -82.603
flat angles C4'-P-C4' energy: -65.829
flat angles P-C4'-P energy: -46.977
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -371.382039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.382039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.382039 (E_RNA)
where:
Base-Base interactions energy: -126.911
where: short stacking energy: -107.131
Base-Backbone interact. energy: 3.203
local terms energy: -247.674143
where:
bonds (distance) C4'-P energy: -61.088
bonds (distance) P-C4' energy: -90.051
flat angles C4'-P-C4' energy: -73.645
flat angles P-C4'-P energy: -35.261
tors. eta vs tors. theta energy: 12.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -342.965049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.965049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.965049 (E_RNA)
where:
Base-Base interactions energy: -93.530
where: short stacking energy: -80.512
Base-Backbone interact. energy: -1.423
local terms energy: -248.011870
where:
bonds (distance) C4'-P energy: -76.736
bonds (distance) P-C4' energy: -84.947
flat angles C4'-P-C4' energy: -62.945
flat angles P-C4'-P energy: -42.796
tors. eta vs tors. theta energy: 19.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1195.460819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.460819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.460819 (E_RNA)
where:
Base-Base interactions energy: -705.379
where: short stacking energy: -428.508
Base-Backbone interact. energy: -0.354
local terms energy: -489.727933
where:
bonds (distance) C4'-P energy: -98.049
bonds (distance) P-C4' energy: -99.584
flat angles C4'-P-C4' energy: -103.831
flat angles P-C4'-P energy: -70.164
tors. eta vs tors. theta energy: -118.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1138.067890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.067890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.067890 (E_RNA)
where:
Base-Base interactions energy: -671.633
where: short stacking energy: -395.770
Base-Backbone interact. energy: -2.342
local terms energy: -464.092871
where:
bonds (distance) C4'-P energy: -85.221
bonds (distance) P-C4' energy: -94.619
flat angles C4'-P-C4' energy: -101.167
flat angles P-C4'-P energy: -72.931
tors. eta vs tors. theta energy: -110.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -922.563937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.563937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.563937 (E_RNA)
where:
Base-Base interactions energy: -508.535
where: short stacking energy: -317.143
Base-Backbone interact. energy: 0.178
local terms energy: -414.207447
where:
bonds (distance) C4'-P energy: -84.124
bonds (distance) P-C4' energy: -84.085
flat angles C4'-P-C4' energy: -100.238
flat angles P-C4'-P energy: -61.003
tors. eta vs tors. theta energy: -84.757
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: 9
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -834.710288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.710288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.710288 (E_RNA)
where:
Base-Base interactions energy: -463.663
where: short stacking energy: -277.723
Base-Backbone interact. energy: 0.815
local terms energy: -371.862473
where:
bonds (distance) C4'-P energy: -83.001
bonds (distance) P-C4' energy: -89.448
flat angles C4'-P-C4' energy: -89.579
flat angles P-C4'-P energy: -53.969
tors. eta vs tors. theta energy: -55.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -664.305452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.305452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.305452 (E_RNA)
where:
Base-Base interactions energy: -321.249
where: short stacking energy: -212.534
Base-Backbone interact. energy: -1.804
local terms energy: -341.251707
where:
bonds (distance) C4'-P energy: -87.131
bonds (distance) P-C4' energy: -82.515
flat angles C4'-P-C4' energy: -82.029
flat angles P-C4'-P energy: -46.083
tors. eta vs tors. theta energy: -43.494
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: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -598.506709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.506709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.506709 (E_RNA)
where:
Base-Base interactions energy: -275.996
where: short stacking energy: -190.726
Base-Backbone interact. energy: -1.629
local terms energy: -320.881942
where:
bonds (distance) C4'-P energy: -83.327
bonds (distance) P-C4' energy: -90.244
flat angles C4'-P-C4' energy: -76.970
flat angles P-C4'-P energy: -39.494
tors. eta vs tors. theta energy: -30.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -439.713326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.713326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.713326 (E_RNA)
where:
Base-Base interactions energy: -151.631
where: short stacking energy: -142.182
Base-Backbone interact. energy: 0.014
local terms energy: -288.096693
where:
bonds (distance) C4'-P energy: -71.532
bonds (distance) P-C4' energy: -77.132
flat angles C4'-P-C4' energy: -85.073
flat angles P-C4'-P energy: -46.598
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: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -442.423278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.423278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.423278 (E_RNA)
where:
Base-Base interactions energy: -187.981
where: short stacking energy: -143.057
Base-Backbone interact. energy: 3.673
local terms energy: -258.115566
where:
bonds (distance) C4'-P energy: -78.965
bonds (distance) P-C4' energy: -79.895
flat angles C4'-P-C4' energy: -67.728
flat angles P-C4'-P energy: -31.352
tors. eta vs tors. theta energy: -0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -399.696748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.696748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.696748 (E_RNA)
where:
Base-Base interactions energy: -138.497
where: short stacking energy: -115.347
Base-Backbone interact. energy: 3.750
local terms energy: -264.949729
where:
bonds (distance) C4'-P energy: -74.464
bonds (distance) P-C4' energy: -82.437
flat angles C4'-P-C4' energy: -60.899
flat angles P-C4'-P energy: -53.058
tors. eta vs tors. theta energy: 5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -348.657290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.657290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.657290 (E_RNA)
where:
Base-Base interactions energy: -98.838
where: short stacking energy: -94.210
Base-Backbone interact. energy: -0.618
local terms energy: -249.201997
where:
bonds (distance) C4'-P energy: -82.858
bonds (distance) P-C4' energy: -80.721
flat angles C4'-P-C4' energy: -76.222
flat angles P-C4'-P energy: -37.888
tors. eta vs tors. theta energy: 28.487
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1191.337008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.337008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.337008 (E_RNA)
where:
Base-Base interactions energy: -721.521
where: short stacking energy: -415.699
Base-Backbone interact. energy: -0.411
local terms energy: -469.405166
where:
bonds (distance) C4'-P energy: -91.684
bonds (distance) P-C4' energy: -91.542
flat angles C4'-P-C4' energy: -97.352
flat angles P-C4'-P energy: -61.889
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: 4
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1112.471843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.471843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.471843 (E_RNA)
where:
Base-Base interactions energy: -640.922
where: short stacking energy: -395.645
Base-Backbone interact. energy: -0.933
local terms energy: -470.616786
where:
bonds (distance) C4'-P energy: -87.293
bonds (distance) P-C4' energy: -92.111
flat angles C4'-P-C4' energy: -97.920
flat angles P-C4'-P energy: -71.311
tors. eta vs tors. theta energy: -121.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -905.597702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.597702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.597702 (E_RNA)
where:
Base-Base interactions energy: -506.047
where: short stacking energy: -315.339
Base-Backbone interact. energy: 0.410
local terms energy: -399.960362
where:
bonds (distance) C4'-P energy: -81.043
bonds (distance) P-C4' energy: -86.300
flat angles C4'-P-C4' energy: -84.524
flat angles P-C4'-P energy: -62.769
tors. eta vs tors. theta energy: -85.325
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: 4, replica: 9
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -863.894009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.894009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.894009 (E_RNA)
where:
Base-Base interactions energy: -475.112
where: short stacking energy: -281.935
Base-Backbone interact. energy: -0.354
local terms energy: -388.428689
where:
bonds (distance) C4'-P energy: -94.671
bonds (distance) P-C4' energy: -86.098
flat angles C4'-P-C4' energy: -87.219
flat angles P-C4'-P energy: -58.492
tors. eta vs tors. theta energy: -61.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -643.516286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.516286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.516286 (E_RNA)
where:
Base-Base interactions energy: -314.048
where: short stacking energy: -198.326
Base-Backbone interact. energy: -0.353
local terms energy: -329.116136
where:
bonds (distance) C4'-P energy: -79.498
bonds (distance) P-C4' energy: -87.404
flat angles C4'-P-C4' energy: -70.060
flat angles P-C4'-P energy: -57.351
tors. eta vs tors. theta energy: -34.803
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: 6, replica: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -578.911666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.911666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.911666 (E_RNA)
where:
Base-Base interactions energy: -250.228
where: short stacking energy: -187.575
Base-Backbone interact. energy: 4.192
local terms energy: -332.875811
where:
bonds (distance) C4'-P energy: -82.227
bonds (distance) P-C4' energy: -100.288
flat angles C4'-P-C4' energy: -80.934
flat angles P-C4'-P energy: -38.444
tors. eta vs tors. theta energy: -30.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -471.101068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.101068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.101068 (E_RNA)
where:
Base-Base interactions energy: -162.892
where: short stacking energy: -133.816
Base-Backbone interact. energy: -0.777
local terms energy: -307.432365
where:
bonds (distance) C4'-P energy: -68.135
bonds (distance) P-C4' energy: -77.224
flat angles C4'-P-C4' energy: -85.357
flat angles P-C4'-P energy: -63.887
tors. eta vs tors. theta energy: -12.829
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: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -454.719812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.719812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.719812 (E_RNA)
where:
Base-Base interactions energy: -165.458
where: short stacking energy: -115.673
Base-Backbone interact. energy: -2.040
local terms energy: -287.221562
where:
bonds (distance) C4'-P energy: -79.709
bonds (distance) P-C4' energy: -89.320
flat angles C4'-P-C4' energy: -71.250
flat angles P-C4'-P energy: -43.293
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -377.429763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.429763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.429763 (E_RNA)
where:
Base-Base interactions energy: -149.500
where: short stacking energy: -120.463
Base-Backbone interact. energy: 0.921
local terms energy: -228.850624
where:
bonds (distance) C4'-P energy: -71.246
bonds (distance) P-C4' energy: -80.184
flat angles C4'-P-C4' energy: -31.531
flat angles P-C4'-P energy: -53.821
tors. eta vs tors. theta energy: 7.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -350.210523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.210523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.210523 (E_RNA)
where:
Base-Base interactions energy: -93.763
where: short stacking energy: -89.862
Base-Backbone interact. energy: -1.001
local terms energy: -255.446955
where:
bonds (distance) C4'-P energy: -78.068
bonds (distance) P-C4' energy: -81.407
flat angles C4'-P-C4' energy: -58.741
flat angles P-C4'-P energy: -39.828
tors. eta vs tors. theta energy: 2.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1159.091522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.091522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.091522 (E_RNA)
where:
Base-Base interactions energy: -692.318
where: short stacking energy: -413.098
Base-Backbone interact. energy: -0.959
local terms energy: -465.815095
where:
bonds (distance) C4'-P energy: -91.298
bonds (distance) P-C4' energy: -89.298
flat angles C4'-P-C4' energy: -95.914
flat angles P-C4'-P energy: -77.314
tors. eta vs tors. theta energy: -111.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1106.793783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.793783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.793783 (E_RNA)
where:
Base-Base interactions energy: -646.790
where: short stacking energy: -402.225
Base-Backbone interact. energy: -0.463
local terms energy: -459.540351
where:
bonds (distance) C4'-P energy: -79.651
bonds (distance) P-C4' energy: -89.285
flat angles C4'-P-C4' energy: -105.110
flat angles P-C4'-P energy: -71.160
tors. eta vs tors. theta energy: -114.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -905.958404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.958404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.958404 (E_RNA)
where:
Base-Base interactions energy: -498.840
where: short stacking energy: -304.503
Base-Backbone interact. energy: -0.498
local terms energy: -406.620400
where:
bonds (distance) C4'-P energy: -98.912
bonds (distance) P-C4' energy: -88.534
flat angles C4'-P-C4' energy: -87.121
flat angles P-C4'-P energy: -59.469
tors. eta vs tors. theta energy: -72.584
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: 9
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -813.924866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.924866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.924866 (E_RNA)
where:
Base-Base interactions energy: -424.342
where: short stacking energy: -255.090
Base-Backbone interact. energy: -3.098
local terms energy: -386.485678
where:
bonds (distance) C4'-P energy: -90.084
bonds (distance) P-C4' energy: -80.524
flat angles C4'-P-C4' energy: -94.699
flat angles P-C4'-P energy: -62.166
tors. eta vs tors. theta energy: -59.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -721.251274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.251274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.251274 (E_RNA)
where:
Base-Base interactions energy: -382.367
where: short stacking energy: -233.500
Base-Backbone interact. energy: -1.108
local terms energy: -337.776177
where:
bonds (distance) C4'-P energy: -77.682
bonds (distance) P-C4' energy: -76.050
flat angles C4'-P-C4' energy: -79.778
flat angles P-C4'-P energy: -55.220
tors. eta vs tors. theta energy: -49.046
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: 467
Temperature: 1.150000
Total energy: -561.644422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.644422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.644422 (E_RNA)
where:
Base-Base interactions energy: -222.046
where: short stacking energy: -175.614
Base-Backbone interact. energy: 0.701
local terms energy: -340.299773
where:
bonds (distance) C4'-P energy: -78.699
bonds (distance) P-C4' energy: -92.332
flat angles C4'-P-C4' energy: -80.151
flat angles P-C4'-P energy: -52.431
tors. eta vs tors. theta energy: -36.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -479.385759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.385759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.385759 (E_RNA)
where:
Base-Base interactions energy: -200.531
where: short stacking energy: -157.958
Base-Backbone interact. energy: -0.813
local terms energy: -278.041902
where:
bonds (distance) C4'-P energy: -62.360
bonds (distance) P-C4' energy: -83.218
flat angles C4'-P-C4' energy: -80.990
flat angles P-C4'-P energy: -50.118
tors. eta vs tors. theta energy: -1.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -453.572290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.572290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.572290 (E_RNA)
where:
Base-Base interactions energy: -164.716
where: short stacking energy: -138.673
Base-Backbone interact. energy: 4.166
local terms energy: -293.022449
where:
bonds (distance) C4'-P energy: -82.302
bonds (distance) P-C4' energy: -84.373
flat angles C4'-P-C4' energy: -72.511
flat angles P-C4'-P energy: -50.262
tors. eta vs tors. theta energy: -3.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -422.966897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.966897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.966897 (E_RNA)
where:
Base-Base interactions energy: -154.800
where: short stacking energy: -126.292
Base-Backbone interact. energy: -0.361
local terms energy: -267.806253
where:
bonds (distance) C4'-P energy: -76.182
bonds (distance) P-C4' energy: -75.023
flat angles C4'-P-C4' energy: -85.215
flat angles P-C4'-P energy: -30.831
tors. eta vs tors. theta energy: -0.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -351.942711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.942711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.942711 (E_RNA)
where:
Base-Base interactions energy: -128.017
where: short stacking energy: -111.263
Base-Backbone interact. energy: 0.338
local terms energy: -224.264590
where:
bonds (distance) C4'-P energy: -71.482
bonds (distance) P-C4' energy: -71.319
flat angles C4'-P-C4' energy: -53.810
flat angles P-C4'-P energy: -44.518
tors. eta vs tors. theta energy: 16.864
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1183.538584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.538584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.538584 (E_RNA)
where:
Base-Base interactions energy: -703.668
where: short stacking energy: -405.077
Base-Backbone interact. energy: -0.705
local terms energy: -479.165641
where:
bonds (distance) C4'-P energy: -91.486
bonds (distance) P-C4' energy: -100.529
flat angles C4'-P-C4' energy: -103.932
flat angles P-C4'-P energy: -67.789
tors. eta vs tors. theta energy: -115.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1104.686430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.686430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.686430 (E_RNA)
where:
Base-Base interactions energy: -676.072
where: short stacking energy: -371.429
Base-Backbone interact. energy: -1.882
local terms energy: -426.732062
where:
bonds (distance) C4'-P energy: -90.398
bonds (distance) P-C4' energy: -85.810
flat angles C4'-P-C4' energy: -75.290
flat angles P-C4'-P energy: -72.219
tors. eta vs tors. theta energy: -103.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -903.977683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.977683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.977683 (E_RNA)
where:
Base-Base interactions energy: -478.287
where: short stacking energy: -312.728
Base-Backbone interact. energy: -1.505
local terms energy: -424.185818
where:
bonds (distance) C4'-P energy: -92.843
bonds (distance) P-C4' energy: -81.372
flat angles C4'-P-C4' energy: -87.320
flat angles P-C4'-P energy: -81.480
tors. eta vs tors. theta energy: -81.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -880.954356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.954356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.954356 (E_RNA)
where:
Base-Base interactions energy: -497.480
where: short stacking energy: -311.501
Base-Backbone interact. energy: -0.825
local terms energy: -382.649958
where:
bonds (distance) C4'-P energy: -80.432
bonds (distance) P-C4' energy: -84.543
flat angles C4'-P-C4' energy: -89.855
flat angles P-C4'-P energy: -49.364
tors. eta vs tors. theta energy: -78.456
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: 5
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -703.164676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.164676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.164676 (E_RNA)
where:
Base-Base interactions energy: -346.706
where: short stacking energy: -231.571
Base-Backbone interact. energy: 1.846
local terms energy: -358.304057
where:
bonds (distance) C4'-P energy: -89.157
bonds (distance) P-C4' energy: -94.064
flat angles C4'-P-C4' energy: -89.262
flat angles P-C4'-P energy: -53.133
tors. eta vs tors. theta energy: -32.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -553.560600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.560600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.560600 (E_RNA)
where:
Base-Base interactions energy: -238.658
where: short stacking energy: -180.264
Base-Backbone interact. energy: 0.834
local terms energy: -315.737113
where:
bonds (distance) C4'-P energy: -69.772
bonds (distance) P-C4' energy: -94.504
flat angles C4'-P-C4' energy: -81.006
flat angles P-C4'-P energy: -52.643
tors. eta vs tors. theta energy: -17.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -436.863724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.863724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.863724 (E_RNA)
where:
Base-Base interactions energy: -151.327
where: short stacking energy: -119.369
Base-Backbone interact. energy: 0.195
local terms energy: -285.732053
where:
bonds (distance) C4'-P energy: -84.719
bonds (distance) P-C4' energy: -88.901
flat angles C4'-P-C4' energy: -79.716
flat angles P-C4'-P energy: -37.441
tors. eta vs tors. theta energy: 5.045
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: 7
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -427.540268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.540268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.540268 (E_RNA)
where:
Base-Base interactions energy: -153.099
where: short stacking energy: -135.519
Base-Backbone interact. energy: 1.739
local terms energy: -276.180570
where:
bonds (distance) C4'-P energy: -72.784
bonds (distance) P-C4' energy: -83.048
flat angles C4'-P-C4' energy: -67.909
flat angles P-C4'-P energy: -50.589
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: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -378.952803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.952803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.952803 (E_RNA)
where:
Base-Base interactions energy: -113.777
where: short stacking energy: -101.953
Base-Backbone interact. energy: -0.956
local terms energy: -264.219968
where:
bonds (distance) C4'-P energy: -73.542
bonds (distance) P-C4' energy: -87.581
flat angles C4'-P-C4' energy: -66.069
flat angles P-C4'-P energy: -44.901
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: 2
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -334.735031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.735031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.735031 (E_RNA)
where:
Base-Base interactions energy: -115.820
where: short stacking energy: -95.957
Base-Backbone interact. energy: -1.531
local terms energy: -217.384452
where:
bonds (distance) C4'-P energy: -81.368
bonds (distance) P-C4' energy: -72.421
flat angles C4'-P-C4' energy: -43.498
flat angles P-C4'-P energy: -39.766
tors. eta vs tors. theta energy: 19.669
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1236.308451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.308451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.308451 (E_RNA)
where:
Base-Base interactions energy: -747.003
where: short stacking energy: -446.336
Base-Backbone interact. energy: -0.840
local terms energy: -488.465900
where:
bonds (distance) C4'-P energy: -92.829
bonds (distance) P-C4' energy: -91.410
flat angles C4'-P-C4' energy: -102.804
flat angles P-C4'-P energy: -62.759
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: 469
Temperature: 0.950000
Total energy: -1151.248044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.248044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.248044 (E_RNA)
where:
Base-Base interactions energy: -659.560
where: short stacking energy: -390.731
Base-Backbone interact. energy: -2.687
local terms energy: -489.001468
where:
bonds (distance) C4'-P energy: -96.932
bonds (distance) P-C4' energy: -101.316
flat angles C4'-P-C4' energy: -103.996
flat angles P-C4'-P energy: -76.758
tors. eta vs tors. theta energy: -110.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -894.729456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.729456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.729456 (E_RNA)
where:
Base-Base interactions energy: -491.266
where: short stacking energy: -299.611
Base-Backbone interact. energy: -0.799
local terms energy: -402.663702
where:
bonds (distance) C4'-P energy: -94.211
bonds (distance) P-C4' energy: -84.740
flat angles C4'-P-C4' energy: -91.402
flat angles P-C4'-P energy: -59.785
tors. eta vs tors. theta energy: -72.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -823.245067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.245067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.245067 (E_RNA)
where:
Base-Base interactions energy: -427.846
where: short stacking energy: -277.144
Base-Backbone interact. energy: -1.547
local terms energy: -393.851993
where:
bonds (distance) C4'-P energy: -73.207
bonds (distance) P-C4' energy: -93.782
flat angles C4'-P-C4' energy: -96.306
flat angles P-C4'-P energy: -59.108
tors. eta vs tors. theta energy: -71.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -674.128442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.128442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.128442 (E_RNA)
where:
Base-Base interactions energy: -336.272
where: short stacking energy: -204.173
Base-Backbone interact. energy: 0.455
local terms energy: -338.311254
where:
bonds (distance) C4'-P energy: -74.074
bonds (distance) P-C4' energy: -95.612
flat angles C4'-P-C4' energy: -84.919
flat angles P-C4'-P energy: -46.910
tors. eta vs tors. theta energy: -36.797
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: 469
Temperature: 1.150000
Total energy: -525.503218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.503218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.503218 (E_RNA)
where:
Base-Base interactions energy: -214.760
where: short stacking energy: -159.480
Base-Backbone interact. energy: 3.404
local terms energy: -314.147173
where:
bonds (distance) C4'-P energy: -83.952
bonds (distance) P-C4' energy: -95.286
flat angles C4'-P-C4' energy: -78.143
flat angles P-C4'-P energy: -54.939
tors. eta vs tors. theta energy: -1.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -451.610990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.610990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.610990 (E_RNA)
where:
Base-Base interactions energy: -145.582
where: short stacking energy: -129.036
Base-Backbone interact. energy: -0.702
local terms energy: -305.327001
where:
bonds (distance) C4'-P energy: -85.652
bonds (distance) P-C4' energy: -94.577
flat angles C4'-P-C4' energy: -88.972
flat angles P-C4'-P energy: -38.323
tors. eta vs tors. theta energy: 2.197
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: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -404.212975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.212975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.212975 (E_RNA)
where:
Base-Base interactions energy: -144.654
where: short stacking energy: -131.266
Base-Backbone interact. energy: 1.906
local terms energy: -261.465357
where:
bonds (distance) C4'-P energy: -75.676
bonds (distance) P-C4' energy: -79.565
flat angles C4'-P-C4' energy: -67.458
flat angles P-C4'-P energy: -50.250
tors. eta vs tors. theta energy: 11.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -389.785633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.785633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.785633 (E_RNA)
where:
Base-Base interactions energy: -123.126
where: short stacking energy: -116.605
Base-Backbone interact. energy: -0.842
local terms energy: -265.818365
where:
bonds (distance) C4'-P energy: -77.563
bonds (distance) P-C4' energy: -66.916
flat angles C4'-P-C4' energy: -73.296
flat angles P-C4'-P energy: -49.361
tors. eta vs tors. theta energy: 1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -342.058050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.058050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.058050 (E_RNA)
where:
Base-Base interactions energy: -83.618
where: short stacking energy: -73.848
Base-Backbone interact. energy: 0.711
local terms energy: -259.150602
where:
bonds (distance) C4'-P energy: -84.501
bonds (distance) P-C4' energy: -79.564
flat angles C4'-P-C4' energy: -84.602
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: 7.040
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1223.841033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.841033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.841033 (E_RNA)
where:
Base-Base interactions energy: -733.532
where: short stacking energy: -431.565
Base-Backbone interact. energy: -0.613
local terms energy: -489.695988
where:
bonds (distance) C4'-P energy: -95.808
bonds (distance) P-C4' energy: -89.391
flat angles C4'-P-C4' energy: -97.144
flat angles P-C4'-P energy: -72.768
tors. eta vs tors. theta energy: -134.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1141.313098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.313098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.313098 (E_RNA)
where:
Base-Base interactions energy: -686.899
where: short stacking energy: -399.161
Base-Backbone interact. energy: -0.811
local terms energy: -453.602659
where:
bonds (distance) C4'-P energy: -96.863
bonds (distance) P-C4' energy: -94.548
flat angles C4'-P-C4' energy: -98.886
flat angles P-C4'-P energy: -64.066
tors. eta vs tors. theta energy: -99.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -920.295395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.295395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.295395 (E_RNA)
where:
Base-Base interactions energy: -499.133
where: short stacking energy: -322.980
Base-Backbone interact. energy: -2.009
local terms energy: -419.154275
where:
bonds (distance) C4'-P energy: -86.157
bonds (distance) P-C4' energy: -90.478
flat angles C4'-P-C4' energy: -81.968
flat angles P-C4'-P energy: -67.865
tors. eta vs tors. theta energy: -92.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -853.475119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.475119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.475119 (E_RNA)
where:
Base-Base interactions energy: -454.344
where: short stacking energy: -281.493
Base-Backbone interact. energy: -1.969
local terms energy: -397.162058
where:
bonds (distance) C4'-P energy: -89.298
bonds (distance) P-C4' energy: -90.881
flat angles C4'-P-C4' energy: -90.152
flat angles P-C4'-P energy: -62.677
tors. eta vs tors. theta energy: -64.154
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: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -723.485018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.485018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.485018 (E_RNA)
where:
Base-Base interactions energy: -360.699
where: short stacking energy: -229.045
Base-Backbone interact. energy: -0.968
local terms energy: -361.817700
where:
bonds (distance) C4'-P energy: -82.710
bonds (distance) P-C4' energy: -84.383
flat angles C4'-P-C4' energy: -91.508
flat angles P-C4'-P energy: -42.888
tors. eta vs tors. theta energy: -60.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -603.048445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.048445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.048445 (E_RNA)
where:
Base-Base interactions energy: -257.611
where: short stacking energy: -175.600
Base-Backbone interact. energy: 0.856
local terms energy: -346.293938
where:
bonds (distance) C4'-P energy: -88.616
bonds (distance) P-C4' energy: -81.596
flat angles C4'-P-C4' energy: -88.592
flat angles P-C4'-P energy: -61.341
tors. eta vs tors. theta energy: -26.148
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: 1
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -455.632036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.632036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.632036 (E_RNA)
where:
Base-Base interactions energy: -154.212
where: short stacking energy: -135.862
Base-Backbone interact. energy: -0.907
local terms energy: -300.513243
where:
bonds (distance) C4'-P energy: -76.796
bonds (distance) P-C4' energy: -86.966
flat angles C4'-P-C4' energy: -83.788
flat angles P-C4'-P energy: -45.256
tors. eta vs tors. theta energy: -7.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -410.624137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.624137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.624137 (E_RNA)
where:
Base-Base interactions energy: -160.805
where: short stacking energy: -130.864
Base-Backbone interact. energy: 1.931
local terms energy: -251.749682
where:
bonds (distance) C4'-P energy: -64.399
bonds (distance) P-C4' energy: -78.187
flat angles C4'-P-C4' energy: -65.995
flat angles P-C4'-P energy: -41.092
tors. eta vs tors. theta energy: -2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -391.407421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.407421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.407421 (E_RNA)
where:
Base-Base interactions energy: -132.481
where: short stacking energy: -112.872
Base-Backbone interact. energy: 2.920
local terms energy: -261.845762
where:
bonds (distance) C4'-P energy: -74.091
bonds (distance) P-C4' energy: -72.585
flat angles C4'-P-C4' energy: -80.022
flat angles P-C4'-P energy: -37.934
tors. eta vs tors. theta energy: 2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -351.635892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.635892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.635892 (E_RNA)
where:
Base-Base interactions energy: -112.217
where: short stacking energy: -86.711
Base-Backbone interact. energy: 2.782
local terms energy: -242.201590
where:
bonds (distance) C4'-P energy: -68.218
bonds (distance) P-C4' energy: -77.672
flat angles C4'-P-C4' energy: -74.501
flat angles P-C4'-P energy: -33.733
tors. eta vs tors. theta energy: 11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1204.206607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.206607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.206607 (E_RNA)
where:
Base-Base interactions energy: -702.664
where: short stacking energy: -406.666
Base-Backbone interact. energy: -0.864
local terms energy: -500.678185
where:
bonds (distance) C4'-P energy: -102.702
bonds (distance) P-C4' energy: -88.279
flat angles C4'-P-C4' energy: -102.796
flat angles P-C4'-P energy: -70.729
tors. eta vs tors. theta energy: -136.172
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: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1116.012142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.012142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.012142 (E_RNA)
where:
Base-Base interactions energy: -654.257
where: short stacking energy: -377.990
Base-Backbone interact. energy: 0.163
local terms energy: -461.918117
where:
bonds (distance) C4'-P energy: -88.827
bonds (distance) P-C4' energy: -96.745
flat angles C4'-P-C4' energy: -98.156
flat angles P-C4'-P energy: -66.437
tors. eta vs tors. theta energy: -111.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -936.082898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.082898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.082898 (E_RNA)
where:
Base-Base interactions energy: -527.994
where: short stacking energy: -330.823
Base-Backbone interact. energy: -2.044
local terms energy: -406.044378
where:
bonds (distance) C4'-P energy: -81.951
bonds (distance) P-C4' energy: -83.825
flat angles C4'-P-C4' energy: -90.643
flat angles P-C4'-P energy: -60.051
tors. eta vs tors. theta energy: -89.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -870.598727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.598727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.598727 (E_RNA)
where:
Base-Base interactions energy: -468.936
where: short stacking energy: -295.883
Base-Backbone interact. energy: -0.114
local terms energy: -401.548412
where:
bonds (distance) C4'-P energy: -77.538
bonds (distance) P-C4' energy: -98.054
flat angles C4'-P-C4' energy: -83.124
flat angles P-C4'-P energy: -65.430
tors. eta vs tors. theta energy: -77.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -664.202916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.202916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.202916 (E_RNA)
where:
Base-Base interactions energy: -326.833
where: short stacking energy: -214.649
Base-Backbone interact. energy: -0.785
local terms energy: -336.585227
where:
bonds (distance) C4'-P energy: -79.626
bonds (distance) P-C4' energy: -87.081
flat angles C4'-P-C4' energy: -89.090
flat angles P-C4'-P energy: -35.656
tors. eta vs tors. theta energy: -45.132
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: 10
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -573.802555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.802555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.802555 (E_RNA)
where:
Base-Base interactions energy: -241.723
where: short stacking energy: -193.438
Base-Backbone interact. energy: -0.879
local terms energy: -331.199987
where:
bonds (distance) C4'-P energy: -86.542
bonds (distance) P-C4' energy: -87.320
flat angles C4'-P-C4' energy: -80.052
flat angles P-C4'-P energy: -57.652
tors. eta vs tors. theta energy: -19.633
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: 7, replica: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -506.471272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.471272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.471272 (E_RNA)
where:
Base-Base interactions energy: -231.008
where: short stacking energy: -166.168
Base-Backbone interact. energy: 1.929
local terms energy: -277.391867
where:
bonds (distance) C4'-P energy: -65.698
bonds (distance) P-C4' energy: -85.326
flat angles C4'-P-C4' energy: -53.532
flat angles P-C4'-P energy: -46.255
tors. eta vs tors. theta energy: -26.581
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: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -407.875088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.875088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.875088 (E_RNA)
where:
Base-Base interactions energy: -139.461
where: short stacking energy: -92.523
Base-Backbone interact. energy: -1.652
local terms energy: -266.762086
where:
bonds (distance) C4'-P energy: -84.830
bonds (distance) P-C4' energy: -80.234
flat angles C4'-P-C4' energy: -59.380
flat angles P-C4'-P energy: -49.895
tors. eta vs tors. theta energy: 7.576
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: 7
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -380.407883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.407883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.407883 (E_RNA)
where:
Base-Base interactions energy: -113.041
where: short stacking energy: -86.044
Base-Backbone interact. energy: 1.007
local terms energy: -268.373808
where:
bonds (distance) C4'-P energy: -65.922
bonds (distance) P-C4' energy: -84.296
flat angles C4'-P-C4' energy: -73.279
flat angles P-C4'-P energy: -51.236
tors. eta vs tors. theta energy: 6.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -362.907684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.907684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.907684 (E_RNA)
where:
Base-Base interactions energy: -104.877
where: short stacking energy: -97.888
Base-Backbone interact. energy: -1.830
local terms energy: -256.200900
where:
bonds (distance) C4'-P energy: -78.920
bonds (distance) P-C4' energy: -80.530
flat angles C4'-P-C4' energy: -52.043
flat angles P-C4'-P energy: -50.969
tors. eta vs tors. theta energy: 6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1253.759899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.759899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.759899 (E_RNA)
where:
Base-Base interactions energy: -745.561
where: short stacking energy: -453.352
Base-Backbone interact. energy: 0.693
local terms energy: -508.891586
where:
bonds (distance) C4'-P energy: -93.787
bonds (distance) P-C4' energy: -104.597
flat angles C4'-P-C4' energy: -108.288
flat angles P-C4'-P energy: -60.044
tors. eta vs tors. theta energy: -142.175
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: 472
Temperature: 0.950000
Total energy: -1136.576052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.576052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.576052 (E_RNA)
where:
Base-Base interactions energy: -657.328
where: short stacking energy: -397.703
Base-Backbone interact. energy: -2.613
local terms energy: -476.634795
where:
bonds (distance) C4'-P energy: -92.154
bonds (distance) P-C4' energy: -92.607
flat angles C4'-P-C4' energy: -111.756
flat angles P-C4'-P energy: -63.945
tors. eta vs tors. theta energy: -116.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -933.423754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.423754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.423754 (E_RNA)
where:
Base-Base interactions energy: -520.750
where: short stacking energy: -331.658
Base-Backbone interact. energy: -0.396
local terms energy: -412.277633
where:
bonds (distance) C4'-P energy: -80.618
bonds (distance) P-C4' energy: -92.378
flat angles C4'-P-C4' energy: -95.521
flat angles P-C4'-P energy: -51.569
tors. eta vs tors. theta energy: -92.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -831.636371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.636371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.636371 (E_RNA)
where:
Base-Base interactions energy: -450.464
where: short stacking energy: -268.123
Base-Backbone interact. energy: 1.009
local terms energy: -382.181754
where:
bonds (distance) C4'-P energy: -81.076
bonds (distance) P-C4' energy: -98.540
flat angles C4'-P-C4' energy: -94.439
flat angles P-C4'-P energy: -48.123
tors. eta vs tors. theta energy: -60.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -676.028054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.028054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.028054 (E_RNA)
where:
Base-Base interactions energy: -318.925
where: short stacking energy: -220.259
Base-Backbone interact. energy: 3.333
local terms energy: -360.436754
where:
bonds (distance) C4'-P energy: -70.645
bonds (distance) P-C4' energy: -89.052
flat angles C4'-P-C4' energy: -93.615
flat angles P-C4'-P energy: -61.868
tors. eta vs tors. theta energy: -45.257
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: 10
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -571.480356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.480356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.480356 (E_RNA)
where:
Base-Base interactions energy: -227.441
where: short stacking energy: -181.127
Base-Backbone interact. energy: 1.314
local terms energy: -345.353539
where:
bonds (distance) C4'-P energy: -87.393
bonds (distance) P-C4' energy: -94.153
flat angles C4'-P-C4' energy: -78.452
flat angles P-C4'-P energy: -57.594
tors. eta vs tors. theta energy: -27.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -449.176922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.176922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.176922 (E_RNA)
where:
Base-Base interactions energy: -162.086
where: short stacking energy: -128.138
Base-Backbone interact. energy: -0.611
local terms energy: -286.480078
where:
bonds (distance) C4'-P energy: -90.452
bonds (distance) P-C4' energy: -86.405
flat angles C4'-P-C4' energy: -65.735
flat angles P-C4'-P energy: -46.565
tors. eta vs tors. theta energy: 2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -413.377264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.377264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.377264 (E_RNA)
where:
Base-Base interactions energy: -138.360
where: short stacking energy: -136.165
Base-Backbone interact. energy: -1.157
local terms energy: -273.859854
where:
bonds (distance) C4'-P energy: -74.208
bonds (distance) P-C4' energy: -85.346
flat angles C4'-P-C4' energy: -71.654
flat angles P-C4'-P energy: -35.718
tors. eta vs tors. theta energy: -6.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -359.851873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.851873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.851873 (E_RNA)
where:
Base-Base interactions energy: -118.924
where: short stacking energy: -104.623
Base-Backbone interact. energy: -0.877
local terms energy: -240.050854
where:
bonds (distance) C4'-P energy: -65.039
bonds (distance) P-C4' energy: -77.503
flat angles C4'-P-C4' energy: -62.442
flat angles P-C4'-P energy: -51.425
tors. eta vs tors. theta energy: 16.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -336.273478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.273478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.273478 (E_RNA)
where:
Base-Base interactions energy: -110.343
where: short stacking energy: -107.976
Base-Backbone interact. energy: -0.320
local terms energy: -225.611104
where:
bonds (distance) C4'-P energy: -65.714
bonds (distance) P-C4' energy: -68.308
flat angles C4'-P-C4' energy: -43.730
flat angles P-C4'-P energy: -50.099
tors. eta vs tors. theta energy: 2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1267.047237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.047237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.047237 (E_RNA)
where:
Base-Base interactions energy: -748.560
where: short stacking energy: -436.264
Base-Backbone interact. energy: -1.779
local terms energy: -516.708088
where:
bonds (distance) C4'-P energy: -88.271
bonds (distance) P-C4' energy: -103.932
flat angles C4'-P-C4' energy: -110.387
flat angles P-C4'-P energy: -70.454
tors. eta vs tors. theta energy: -143.664
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: 473
Temperature: 0.950000
Total energy: -1126.960013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.960013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.960013 (E_RNA)
where:
Base-Base interactions energy: -677.860
where: short stacking energy: -414.100
Base-Backbone interact. energy: 1.430
local terms energy: -450.530491
where:
bonds (distance) C4'-P energy: -83.826
bonds (distance) P-C4' energy: -85.342
flat angles C4'-P-C4' energy: -98.484
flat angles P-C4'-P energy: -57.661
tors. eta vs tors. theta energy: -125.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -911.323686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.323686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.323686 (E_RNA)
where:
Base-Base interactions energy: -496.241
where: short stacking energy: -322.235
Base-Backbone interact. energy: -1.462
local terms energy: -413.620344
where:
bonds (distance) C4'-P energy: -86.311
bonds (distance) P-C4' energy: -100.152
flat angles C4'-P-C4' energy: -88.906
flat angles P-C4'-P energy: -56.572
tors. eta vs tors. theta energy: -81.680
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: 4, replica: 9
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -828.557058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.557058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.557058 (E_RNA)
where:
Base-Base interactions energy: -456.372
where: short stacking energy: -267.744
Base-Backbone interact. energy: -0.474
local terms energy: -371.710761
where:
bonds (distance) C4'-P energy: -80.413
bonds (distance) P-C4' energy: -82.402
flat angles C4'-P-C4' energy: -85.017
flat angles P-C4'-P energy: -60.163
tors. eta vs tors. theta energy: -63.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -630.524916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.524916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.524916 (E_RNA)
where:
Base-Base interactions energy: -304.688
where: short stacking energy: -210.368
Base-Backbone interact. energy: 0.632
local terms energy: -326.469513
where:
bonds (distance) C4'-P energy: -82.938
bonds (distance) P-C4' energy: -81.417
flat angles C4'-P-C4' energy: -78.382
flat angles P-C4'-P energy: -48.182
tors. eta vs tors. theta energy: -35.551
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: 473
Temperature: 1.150000
Total energy: -494.028247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.028247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.028247 (E_RNA)
where:
Base-Base interactions energy: -178.975
where: short stacking energy: -155.816
Base-Backbone interact. energy: 3.355
local terms energy: -318.408050
where:
bonds (distance) C4'-P energy: -89.766
bonds (distance) P-C4' energy: -93.875
flat angles C4'-P-C4' energy: -74.626
flat angles P-C4'-P energy: -45.901
tors. eta vs tors. theta energy: -14.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -493.438394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.438394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.438394 (E_RNA)
where:
Base-Base interactions energy: -211.157
where: short stacking energy: -160.753
Base-Backbone interact. energy: -1.095
local terms energy: -281.186024
where:
bonds (distance) C4'-P energy: -84.446
bonds (distance) P-C4' energy: -79.021
flat angles C4'-P-C4' energy: -76.708
flat angles P-C4'-P energy: -36.236
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -413.604395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.604395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.604395 (E_RNA)
where:
Base-Base interactions energy: -137.601
where: short stacking energy: -107.022
Base-Backbone interact. energy: -0.782
local terms energy: -275.221339
where:
bonds (distance) C4'-P energy: -74.005
bonds (distance) P-C4' energy: -86.676
flat angles C4'-P-C4' energy: -62.606
flat angles P-C4'-P energy: -54.313
tors. eta vs tors. theta energy: 2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -375.074134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.074134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.074134 (E_RNA)
where:
Base-Base interactions energy: -141.877
where: short stacking energy: -119.517
Base-Backbone interact. energy: 1.595
local terms energy: -234.791981
where:
bonds (distance) C4'-P energy: -75.290
bonds (distance) P-C4' energy: -82.162
flat angles C4'-P-C4' energy: -67.849
flat angles P-C4'-P energy: -29.767
tors. eta vs tors. theta energy: 20.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -343.077318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.077318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.077318 (E_RNA)
where:
Base-Base interactions energy: -108.984
where: short stacking energy: -88.726
Base-Backbone interact. energy: 0.748
local terms energy: -234.841769
where:
bonds (distance) C4'-P energy: -82.299
bonds (distance) P-C4' energy: -75.136
flat angles C4'-P-C4' energy: -68.056
flat angles P-C4'-P energy: -37.551
tors. eta vs tors. theta energy: 28.200
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1214.558196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.558196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.558196 (E_RNA)
where:
Base-Base interactions energy: -714.903
where: short stacking energy: -419.543
Base-Backbone interact. energy: -0.289
local terms energy: -499.365670
where:
bonds (distance) C4'-P energy: -99.472
bonds (distance) P-C4' energy: -92.966
flat angles C4'-P-C4' energy: -108.726
flat angles P-C4'-P energy: -61.138
tors. eta vs tors. theta energy: -137.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1127.373373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.373373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.373373 (E_RNA)
where:
Base-Base interactions energy: -681.776
where: short stacking energy: -400.746
Base-Backbone interact. energy: 1.961
local terms energy: -447.558108
where:
bonds (distance) C4'-P energy: -82.533
bonds (distance) P-C4' energy: -87.562
flat angles C4'-P-C4' energy: -97.975
flat angles P-C4'-P energy: -62.559
tors. eta vs tors. theta energy: -116.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -940.351915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.351915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.351915 (E_RNA)
where:
Base-Base interactions energy: -527.243
where: short stacking energy: -333.244
Base-Backbone interact. energy: -1.541
local terms energy: -411.568342
where:
bonds (distance) C4'-P energy: -87.001
bonds (distance) P-C4' energy: -84.598
flat angles C4'-P-C4' energy: -97.616
flat angles P-C4'-P energy: -56.653
tors. eta vs tors. theta energy: -85.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -869.013198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.013198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.013198 (E_RNA)
where:
Base-Base interactions energy: -455.889
where: short stacking energy: -287.497
Base-Backbone interact. energy: -0.094
local terms energy: -413.030234
where:
bonds (distance) C4'-P energy: -93.068
bonds (distance) P-C4' energy: -81.070
flat angles C4'-P-C4' energy: -94.428
flat angles P-C4'-P energy: -64.344
tors. eta vs tors. theta energy: -80.120
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: 5, replica: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -642.665263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.665263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.665263 (E_RNA)
where:
Base-Base interactions energy: -324.046
where: short stacking energy: -191.527
Base-Backbone interact. energy: 3.649
local terms energy: -322.268061
where:
bonds (distance) C4'-P energy: -65.980
bonds (distance) P-C4' energy: -95.534
flat angles C4'-P-C4' energy: -79.103
flat angles P-C4'-P energy: -57.813
tors. eta vs tors. theta energy: -23.838
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: 1
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -521.670574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.670574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.670574 (E_RNA)
where:
Base-Base interactions energy: -215.731
where: short stacking energy: -171.994
Base-Backbone interact. energy: -0.351
local terms energy: -305.588520
where:
bonds (distance) C4'-P energy: -80.648
bonds (distance) P-C4' energy: -82.217
flat angles C4'-P-C4' energy: -82.383
flat angles P-C4'-P energy: -39.523
tors. eta vs tors. theta energy: -20.817
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: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -492.099100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.099100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.099100 (E_RNA)
where:
Base-Base interactions energy: -193.254
where: short stacking energy: -141.409
Base-Backbone interact. energy: -0.713
local terms energy: -298.132056
where:
bonds (distance) C4'-P energy: -83.428
bonds (distance) P-C4' energy: -95.755
flat angles C4'-P-C4' energy: -89.211
flat angles P-C4'-P energy: -37.329
tors. eta vs tors. theta energy: 7.591
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: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -405.677557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.677557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.677557 (E_RNA)
where:
Base-Base interactions energy: -115.037
where: short stacking energy: -90.578
Base-Backbone interact. energy: -0.231
local terms energy: -290.409263
where:
bonds (distance) C4'-P energy: -76.525
bonds (distance) P-C4' energy: -92.188
flat angles C4'-P-C4' energy: -86.880
flat angles P-C4'-P energy: -43.081
tors. eta vs tors. theta energy: 8.264
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: 2
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -384.157060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.157060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.157060 (E_RNA)
where:
Base-Base interactions energy: -131.974
where: short stacking energy: -114.487
Base-Backbone interact. energy: 1.328
local terms energy: -253.510726
where:
bonds (distance) C4'-P energy: -73.254
bonds (distance) P-C4' energy: -83.598
flat angles C4'-P-C4' energy: -85.720
flat angles P-C4'-P energy: -27.381
tors. eta vs tors. theta energy: 16.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -351.590950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.590950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.590950 (E_RNA)
where:
Base-Base interactions energy: -122.149
where: short stacking energy: -113.229
Base-Backbone interact. energy: 2.801
local terms energy: -232.242346
where:
bonds (distance) C4'-P energy: -61.183
bonds (distance) P-C4' energy: -70.966
flat angles C4'-P-C4' energy: -66.268
flat angles P-C4'-P energy: -43.097
tors. eta vs tors. theta energy: 9.271
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1225.676336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.676336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.676336 (E_RNA)
where:
Base-Base interactions energy: -732.291
where: short stacking energy: -430.641
Base-Backbone interact. energy: 1.672
local terms energy: -495.057245
where:
bonds (distance) C4'-P energy: -98.088
bonds (distance) P-C4' energy: -85.477
flat angles C4'-P-C4' energy: -111.499
flat angles P-C4'-P energy: -63.553
tors. eta vs tors. theta energy: -136.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1112.015517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.015517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.015517 (E_RNA)
where:
Base-Base interactions energy: -662.409
where: short stacking energy: -368.885
Base-Backbone interact. energy: -2.047
local terms energy: -447.559554
where:
bonds (distance) C4'-P energy: -88.157
bonds (distance) P-C4' energy: -89.477
flat angles C4'-P-C4' energy: -108.797
flat angles P-C4'-P energy: -66.135
tors. eta vs tors. theta energy: -94.994
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: 3, replica: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -937.495977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.495977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.495977 (E_RNA)
where:
Base-Base interactions energy: -506.941
where: short stacking energy: -312.800
Base-Backbone interact. energy: -1.197
local terms energy: -429.357915
where:
bonds (distance) C4'-P energy: -94.021
bonds (distance) P-C4' energy: -87.982
flat angles C4'-P-C4' energy: -91.586
flat angles P-C4'-P energy: -65.515
tors. eta vs tors. theta energy: -90.254
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: 9
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -872.354202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.354202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.354202 (E_RNA)
where:
Base-Base interactions energy: -488.394
where: short stacking energy: -293.324
Base-Backbone interact. energy: -0.993
local terms energy: -382.966960
where:
bonds (distance) C4'-P energy: -86.849
bonds (distance) P-C4' energy: -88.310
flat angles C4'-P-C4' energy: -86.919
flat angles P-C4'-P energy: -49.395
tors. eta vs tors. theta energy: -71.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -630.478380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.478380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.478380 (E_RNA)
where:
Base-Base interactions energy: -298.993
where: short stacking energy: -197.534
Base-Backbone interact. energy: 1.208
local terms energy: -332.693092
where:
bonds (distance) C4'-P energy: -74.883
bonds (distance) P-C4' energy: -98.425
flat angles C4'-P-C4' energy: -78.098
flat angles P-C4'-P energy: -54.203
tors. eta vs tors. theta energy: -27.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -507.879309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.879309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.879309 (E_RNA)
where:
Base-Base interactions energy: -199.457
where: short stacking energy: -165.954
Base-Backbone interact. energy: -2.422
local terms energy: -306.000466
where:
bonds (distance) C4'-P energy: -79.753
bonds (distance) P-C4' energy: -85.313
flat angles C4'-P-C4' energy: -78.660
flat angles P-C4'-P energy: -47.448
tors. eta vs tors. theta energy: -14.827
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: 7, replica: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -447.744419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.744419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.744419 (E_RNA)
where:
Base-Base interactions energy: -155.773
where: short stacking energy: -143.696
Base-Backbone interact. energy: -0.649
local terms energy: -291.321847
where:
bonds (distance) C4'-P energy: -83.462
bonds (distance) P-C4' energy: -79.528
flat angles C4'-P-C4' energy: -71.771
flat angles P-C4'-P energy: -49.567
tors. eta vs tors. theta energy: -6.994
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: 8, replica: 2
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -400.791328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.791328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.791328 (E_RNA)
where:
Base-Base interactions energy: -142.990
where: short stacking energy: -132.861
Base-Backbone interact. energy: -1.839
local terms energy: -255.962066
where:
bonds (distance) C4'-P energy: -79.304
bonds (distance) P-C4' energy: -68.059
flat angles C4'-P-C4' energy: -71.893
flat angles P-C4'-P energy: -34.479
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -382.994031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.994031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.994031 (E_RNA)
where:
Base-Base interactions energy: -124.335
where: short stacking energy: -95.147
Base-Backbone interact. energy: 0.465
local terms energy: -259.123666
where:
bonds (distance) C4'-P energy: -72.072
bonds (distance) P-C4' energy: -72.997
flat angles C4'-P-C4' energy: -85.695
flat angles P-C4'-P energy: -46.759
tors. eta vs tors. theta energy: 18.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -359.722990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.722990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.722990 (E_RNA)
where:
Base-Base interactions energy: -108.424
where: short stacking energy: -87.588
Base-Backbone interact. energy: 2.745
local terms energy: -254.044243
where:
bonds (distance) C4'-P energy: -73.085
bonds (distance) P-C4' energy: -89.668
flat angles C4'-P-C4' energy: -66.862
flat angles P-C4'-P energy: -39.357
tors. eta vs tors. theta energy: 14.927
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1201.058072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.058072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.058072 (E_RNA)
where:
Base-Base interactions energy: -739.805
where: short stacking energy: -435.158
Base-Backbone interact. energy: -1.228
local terms energy: -460.024152
where:
bonds (distance) C4'-P energy: -90.778
bonds (distance) P-C4' energy: -85.340
flat angles C4'-P-C4' energy: -96.026
flat angles P-C4'-P energy: -67.648
tors. eta vs tors. theta energy: -120.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1090.350574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.350574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.350574 (E_RNA)
where:
Base-Base interactions energy: -637.100
where: short stacking energy: -376.723
Base-Backbone interact. energy: -2.072
local terms energy: -451.178886
where:
bonds (distance) C4'-P energy: -93.298
bonds (distance) P-C4' energy: -85.182
flat angles C4'-P-C4' energy: -98.559
flat angles P-C4'-P energy: -69.513
tors. eta vs tors. theta energy: -104.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -929.882509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.882509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.882509 (E_RNA)
where:
Base-Base interactions energy: -494.870
where: short stacking energy: -333.256
Base-Backbone interact. energy: -1.721
local terms energy: -433.291019
where:
bonds (distance) C4'-P energy: -99.890
bonds (distance) P-C4' energy: -87.581
flat angles C4'-P-C4' energy: -91.061
flat angles P-C4'-P energy: -58.703
tors. eta vs tors. theta energy: -96.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -829.492878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.492878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.492878 (E_RNA)
where:
Base-Base interactions energy: -461.537
where: short stacking energy: -295.276
Base-Backbone interact. energy: 1.133
local terms energy: -369.089052
where:
bonds (distance) C4'-P energy: -77.479
bonds (distance) P-C4' energy: -77.148
flat angles C4'-P-C4' energy: -96.832
flat angles P-C4'-P energy: -50.652
tors. eta vs tors. theta energy: -66.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -682.334167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.334167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.334167 (E_RNA)
where:
Base-Base interactions energy: -316.433
where: short stacking energy: -239.378
Base-Backbone interact. energy: -0.412
local terms energy: -365.489129
where:
bonds (distance) C4'-P energy: -84.622
bonds (distance) P-C4' energy: -87.600
flat angles C4'-P-C4' energy: -80.277
flat angles P-C4'-P energy: -59.486
tors. eta vs tors. theta energy: -53.505
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: 1
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -462.381988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.381988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.381988 (E_RNA)
where:
Base-Base interactions energy: -157.360
where: short stacking energy: -117.061
Base-Backbone interact. energy: -0.322
local terms energy: -304.699476
where:
bonds (distance) C4'-P energy: -87.760
bonds (distance) P-C4' energy: -95.899
flat angles C4'-P-C4' energy: -74.823
flat angles P-C4'-P energy: -42.375
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -466.350745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.350745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.350745 (E_RNA)
where:
Base-Base interactions energy: -161.608
where: short stacking energy: -156.157
Base-Backbone interact. energy: -1.092
local terms energy: -303.650673
where:
bonds (distance) C4'-P energy: -86.229
bonds (distance) P-C4' energy: -79.248
flat angles C4'-P-C4' energy: -72.889
flat angles P-C4'-P energy: -47.870
tors. eta vs tors. theta energy: -17.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -412.531837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.531837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.531837 (E_RNA)
where:
Base-Base interactions energy: -148.818
where: short stacking energy: -131.909
Base-Backbone interact. energy: 1.811
local terms energy: -265.524935
where:
bonds (distance) C4'-P energy: -84.348
bonds (distance) P-C4' energy: -81.539
flat angles C4'-P-C4' energy: -57.874
flat angles P-C4'-P energy: -43.084
tors. eta vs tors. theta energy: 1.319
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: 9, replica: 7
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -375.606964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.606964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.606964 (E_RNA)
where:
Base-Base interactions energy: -124.183
where: short stacking energy: -112.858
Base-Backbone interact. energy: -0.178
local terms energy: -251.246016
where:
bonds (distance) C4'-P energy: -67.558
bonds (distance) P-C4' energy: -87.165
flat angles C4'-P-C4' energy: -70.339
flat angles P-C4'-P energy: -31.753
tors. eta vs tors. theta energy: 5.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -347.562871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.562871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.562871 (E_RNA)
where:
Base-Base interactions energy: -118.962
where: short stacking energy: -101.670
Base-Backbone interact. energy: -1.772
local terms energy: -226.829358
where:
bonds (distance) C4'-P energy: -63.701
bonds (distance) P-C4' energy: -72.179
flat angles C4'-P-C4' energy: -62.223
flat angles P-C4'-P energy: -30.418
tors. eta vs tors. theta energy: 1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1217.250624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.250624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.250624 (E_RNA)
where:
Base-Base interactions energy: -725.414
where: short stacking energy: -431.725
Base-Backbone interact. energy: -0.630
local terms energy: -491.207048
where:
bonds (distance) C4'-P energy: -94.251
bonds (distance) P-C4' energy: -88.051
flat angles C4'-P-C4' energy: -108.813
flat angles P-C4'-P energy: -65.513
tors. eta vs tors. theta energy: -134.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1119.205633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.205633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.205633 (E_RNA)
where:
Base-Base interactions energy: -651.987
where: short stacking energy: -389.019
Base-Backbone interact. energy: 1.981
local terms energy: -469.199362
where:
bonds (distance) C4'-P energy: -89.364
bonds (distance) P-C4' energy: -90.925
flat angles C4'-P-C4' energy: -110.200
flat angles P-C4'-P energy: -58.609
tors. eta vs tors. theta energy: -120.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -929.785339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.785339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.785339 (E_RNA)
where:
Base-Base interactions energy: -506.869
where: short stacking energy: -327.379
Base-Backbone interact. energy: -0.873
local terms energy: -422.042458
where:
bonds (distance) C4'-P energy: -92.071
bonds (distance) P-C4' energy: -87.246
flat angles C4'-P-C4' energy: -92.183
flat angles P-C4'-P energy: -70.263
tors. eta vs tors. theta energy: -80.280
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: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -833.492921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.492921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.492921 (E_RNA)
where:
Base-Base interactions energy: -449.409
where: short stacking energy: -277.013
Base-Backbone interact. energy: -0.745
local terms energy: -383.338553
where:
bonds (distance) C4'-P energy: -79.535
bonds (distance) P-C4' energy: -88.531
flat angles C4'-P-C4' energy: -100.675
flat angles P-C4'-P energy: -59.666
tors. eta vs tors. theta energy: -54.932
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: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -657.866377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.866377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.866377 (E_RNA)
where:
Base-Base interactions energy: -324.389
where: short stacking energy: -209.282
Base-Backbone interact. energy: 0.204
local terms energy: -333.681601
where:
bonds (distance) C4'-P energy: -74.768
bonds (distance) P-C4' energy: -89.155
flat angles C4'-P-C4' energy: -82.099
flat angles P-C4'-P energy: -58.007
tors. eta vs tors. theta energy: -29.653
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: 6, replica: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -505.564585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.564585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.564585 (E_RNA)
where:
Base-Base interactions energy: -200.433
where: short stacking energy: -191.323
Base-Backbone interact. energy: -2.626
local terms energy: -302.505870
where:
bonds (distance) C4'-P energy: -75.827
bonds (distance) P-C4' energy: -88.822
flat angles C4'-P-C4' energy: -73.632
flat angles P-C4'-P energy: -39.038
tors. eta vs tors. theta energy: -25.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -449.475696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.475696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.475696 (E_RNA)
where:
Base-Base interactions energy: -144.673
where: short stacking energy: -130.688
Base-Backbone interact. energy: -0.114
local terms energy: -304.688427
where:
bonds (distance) C4'-P energy: -77.845
bonds (distance) P-C4' energy: -86.888
flat angles C4'-P-C4' energy: -81.616
flat angles P-C4'-P energy: -37.615
tors. eta vs tors. theta energy: -20.725
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: 8, replica: 2
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -407.074519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.074519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.074519 (E_RNA)
where:
Base-Base interactions energy: -129.923
where: short stacking energy: -125.681
Base-Backbone interact. energy: -1.092
local terms energy: -276.059964
where:
bonds (distance) C4'-P energy: -83.553
bonds (distance) P-C4' energy: -68.185
flat angles C4'-P-C4' energy: -68.605
flat angles P-C4'-P energy: -49.843
tors. eta vs tors. theta energy: -5.873
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: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -374.161755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.161755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.161755 (E_RNA)
where:
Base-Base interactions energy: -119.432
where: short stacking energy: -103.990
Base-Backbone interact. energy: -0.282
local terms energy: -254.448183
where:
bonds (distance) C4'-P energy: -82.209
bonds (distance) P-C4' energy: -89.725
flat angles C4'-P-C4' energy: -58.591
flat angles P-C4'-P energy: -44.066
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: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -335.418535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.418535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.418535 (E_RNA)
where:
Base-Base interactions energy: -87.866
where: short stacking energy: -65.567
Base-Backbone interact. energy: -0.455
local terms energy: -247.097489
where:
bonds (distance) C4'-P energy: -80.634
bonds (distance) P-C4' energy: -80.408
flat angles C4'-P-C4' energy: -64.907
flat angles P-C4'-P energy: -32.545
tors. eta vs tors. theta energy: 11.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1247.684623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.684623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.684623 (E_RNA)
where:
Base-Base interactions energy: -747.233
where: short stacking energy: -450.383
Base-Backbone interact. energy: -0.839
local terms energy: -499.612597
where:
bonds (distance) C4'-P energy: -79.478
bonds (distance) P-C4' energy: -106.356
flat angles C4'-P-C4' energy: -107.281
flat angles P-C4'-P energy: -68.288
tors. eta vs tors. theta energy: -138.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1085.264071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.264071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.264071 (E_RNA)
where:
Base-Base interactions energy: -651.852
where: short stacking energy: -387.607
Base-Backbone interact. energy: -0.293
local terms energy: -433.118923
where:
bonds (distance) C4'-P energy: -87.448
bonds (distance) P-C4' energy: -86.926
flat angles C4'-P-C4' energy: -97.790
flat angles P-C4'-P energy: -62.574
tors. eta vs tors. theta energy: -98.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -881.193199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.193199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.193199 (E_RNA)
where:
Base-Base interactions energy: -466.246
where: short stacking energy: -295.532
Base-Backbone interact. energy: -0.323
local terms energy: -414.623897
where:
bonds (distance) C4'-P energy: -92.641
bonds (distance) P-C4' energy: -96.441
flat angles C4'-P-C4' energy: -93.461
flat angles P-C4'-P energy: -52.937
tors. eta vs tors. theta energy: -79.143
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: 9
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -859.661604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.661604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.661604 (E_RNA)
where:
Base-Base interactions energy: -444.115
where: short stacking energy: -280.657
Base-Backbone interact. energy: -1.598
local terms energy: -413.948692
where:
bonds (distance) C4'-P energy: -91.483
bonds (distance) P-C4' energy: -98.268
flat angles C4'-P-C4' energy: -90.937
flat angles P-C4'-P energy: -65.003
tors. eta vs tors. theta energy: -68.258
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: 5
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -720.394083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.394083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.394083 (E_RNA)
where:
Base-Base interactions energy: -346.667
where: short stacking energy: -233.985
Base-Backbone interact. energy: -0.335
local terms energy: -373.392243
where:
bonds (distance) C4'-P energy: -84.641
bonds (distance) P-C4' energy: -95.424
flat angles C4'-P-C4' energy: -91.030
flat angles P-C4'-P energy: -45.019
tors. eta vs tors. theta energy: -57.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -476.579329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.579329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.579329 (E_RNA)
where:
Base-Base interactions energy: -193.573
where: short stacking energy: -176.181
Base-Backbone interact. energy: 0.379
local terms energy: -283.384606
where:
bonds (distance) C4'-P energy: -79.144
bonds (distance) P-C4' energy: -83.978
flat angles C4'-P-C4' energy: -77.896
flat angles P-C4'-P energy: -31.544
tors. eta vs tors. theta energy: -10.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -454.863719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.863719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.863719 (E_RNA)
where:
Base-Base interactions energy: -147.289
where: short stacking energy: -128.715
Base-Backbone interact. energy: -1.068
local terms energy: -306.506378
where:
bonds (distance) C4'-P energy: -93.702
bonds (distance) P-C4' energy: -74.133
flat angles C4'-P-C4' energy: -77.684
flat angles P-C4'-P energy: -58.161
tors. eta vs tors. theta energy: -2.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -467.556369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.556369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.556369 (E_RNA)
where:
Base-Base interactions energy: -187.724
where: short stacking energy: -125.410
Base-Backbone interact. energy: 0.618
local terms energy: -280.450345
where:
bonds (distance) C4'-P energy: -74.915
bonds (distance) P-C4' energy: -76.190
flat angles C4'-P-C4' energy: -80.012
flat angles P-C4'-P energy: -49.229
tors. eta vs tors. theta energy: -0.104
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: 6
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -393.659030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.659030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.659030 (E_RNA)
where:
Base-Base interactions energy: -124.514
where: short stacking energy: -103.250
Base-Backbone interact. energy: -2.117
local terms energy: -267.028773
where:
bonds (distance) C4'-P energy: -73.681
bonds (distance) P-C4' energy: -88.252
flat angles C4'-P-C4' energy: -74.287
flat angles P-C4'-P energy: -28.285
tors. eta vs tors. theta energy: -2.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -333.171647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.171647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.171647 (E_RNA)
where:
Base-Base interactions energy: -83.137
where: short stacking energy: -54.347
Base-Backbone interact. energy: 5.176
local terms energy: -255.210518
where:
bonds (distance) C4'-P energy: -81.702
bonds (distance) P-C4' energy: -94.104
flat angles C4'-P-C4' energy: -72.724
flat angles P-C4'-P energy: -38.055
tors. eta vs tors. theta energy: 31.375
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1251.237712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.237712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.237712 (E_RNA)
where:
Base-Base interactions energy: -755.359
where: short stacking energy: -430.724
Base-Backbone interact. energy: -0.337
local terms energy: -495.541779
where:
bonds (distance) C4'-P energy: -105.506
bonds (distance) P-C4' energy: -92.914
flat angles C4'-P-C4' energy: -103.221
flat angles P-C4'-P energy: -62.643
tors. eta vs tors. theta energy: -131.257
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: 479
Temperature: 0.950000
Total energy: -1114.549815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.549815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.549815 (E_RNA)
where:
Base-Base interactions energy: -674.030
where: short stacking energy: -360.807
Base-Backbone interact. energy: -1.748
local terms energy: -438.771294
where:
bonds (distance) C4'-P energy: -85.831
bonds (distance) P-C4' energy: -94.023
flat angles C4'-P-C4' energy: -95.153
flat angles P-C4'-P energy: -58.830
tors. eta vs tors. theta energy: -104.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -887.550452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.550452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.550452 (E_RNA)
where:
Base-Base interactions energy: -482.249
where: short stacking energy: -301.677
Base-Backbone interact. energy: 1.065
local terms energy: -406.366179
where:
bonds (distance) C4'-P energy: -84.623
bonds (distance) P-C4' energy: -88.388
flat angles C4'-P-C4' energy: -100.092
flat angles P-C4'-P energy: -65.724
tors. eta vs tors. theta energy: -67.539
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: 4, replica: 9
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -820.464178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.464178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.464178 (E_RNA)
where:
Base-Base interactions energy: -460.063
where: short stacking energy: -283.534
Base-Backbone interact. energy: 0.254
local terms energy: -360.654902
where:
bonds (distance) C4'-P energy: -64.572
bonds (distance) P-C4' energy: -93.588
flat angles C4'-P-C4' energy: -75.114
flat angles P-C4'-P energy: -54.475
tors. eta vs tors. theta energy: -72.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -704.286654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.286654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.286654 (E_RNA)
where:
Base-Base interactions energy: -363.273
where: short stacking energy: -241.414
Base-Backbone interact. energy: -1.359
local terms energy: -339.654817
where:
bonds (distance) C4'-P energy: -75.094
bonds (distance) P-C4' energy: -88.495
flat angles C4'-P-C4' energy: -84.954
flat angles P-C4'-P energy: -48.280
tors. eta vs tors. theta energy: -42.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -504.550566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.550566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.550566 (E_RNA)
where:
Base-Base interactions energy: -202.013
where: short stacking energy: -166.871
Base-Backbone interact. energy: -1.882
local terms energy: -300.654893
where:
bonds (distance) C4'-P energy: -73.266
bonds (distance) P-C4' energy: -85.848
flat angles C4'-P-C4' energy: -77.252
flat angles P-C4'-P energy: -50.786
tors. eta vs tors. theta energy: -13.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -487.172851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.172851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.172851 (E_RNA)
where:
Base-Base interactions energy: -189.163
where: short stacking energy: -137.091
Base-Backbone interact. energy: 0.328
local terms energy: -298.337914
where:
bonds (distance) C4'-P energy: -72.584
bonds (distance) P-C4' energy: -88.565
flat angles C4'-P-C4' energy: -86.641
flat angles P-C4'-P energy: -54.642
tors. eta vs tors. theta energy: 4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -425.160613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.160613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.160613 (E_RNA)
where:
Base-Base interactions energy: -158.015
where: short stacking energy: -157.088
Base-Backbone interact. energy: -3.052
local terms energy: -264.093006
where:
bonds (distance) C4'-P energy: -69.358
bonds (distance) P-C4' energy: -75.565
flat angles C4'-P-C4' energy: -71.088
flat angles P-C4'-P energy: -34.740
tors. eta vs tors. theta energy: -13.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -402.297484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.297484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.297484 (E_RNA)
where:
Base-Base interactions energy: -159.438
where: short stacking energy: -111.555
Base-Backbone interact. energy: 0.998
local terms energy: -243.857130
where:
bonds (distance) C4'-P energy: -66.263
bonds (distance) P-C4' energy: -75.195
flat angles C4'-P-C4' energy: -74.170
flat angles P-C4'-P energy: -36.166
tors. eta vs tors. theta energy: 7.937
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: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -365.035159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.035159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.035159 (E_RNA)
where:
Base-Base interactions energy: -116.190
where: short stacking energy: -84.220
Base-Backbone interact. energy: -1.354
local terms energy: -247.491476
where:
bonds (distance) C4'-P energy: -89.225
bonds (distance) P-C4' energy: -72.170
flat angles C4'-P-C4' energy: -73.495
flat angles P-C4'-P energy: -31.270
tors. eta vs tors. theta energy: 18.668
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1252.958340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.958340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.958340 (E_RNA)
where:
Base-Base interactions energy: -741.911
where: short stacking energy: -432.559
Base-Backbone interact. energy: -1.810
local terms energy: -509.238230
where:
bonds (distance) C4'-P energy: -89.532
bonds (distance) P-C4' energy: -106.212
flat angles C4'-P-C4' energy: -105.277
flat angles P-C4'-P energy: -70.608
tors. eta vs tors. theta energy: -137.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1121.032571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.032571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.032571 (E_RNA)
where:
Base-Base interactions energy: -671.699
where: short stacking energy: -427.309
Base-Backbone interact. energy: -0.485
local terms energy: -448.848745
where:
bonds (distance) C4'-P energy: -81.171
bonds (distance) P-C4' energy: -84.439
flat angles C4'-P-C4' energy: -102.548
flat angles P-C4'-P energy: -70.999
tors. eta vs tors. theta energy: -109.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -888.996314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.996314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.996314 (E_RNA)
where:
Base-Base interactions energy: -466.452
where: short stacking energy: -295.315
Base-Backbone interact. energy: -0.212
local terms energy: -422.332589
where:
bonds (distance) C4'-P energy: -74.153
bonds (distance) P-C4' energy: -104.704
flat angles C4'-P-C4' energy: -102.746
flat angles P-C4'-P energy: -54.933
tors. eta vs tors. theta energy: -85.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -841.198468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.198468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.198468 (E_RNA)
where:
Base-Base interactions energy: -474.636
where: short stacking energy: -287.804
Base-Backbone interact. energy: -1.403
local terms energy: -365.158611
where:
bonds (distance) C4'-P energy: -81.059
bonds (distance) P-C4' energy: -71.027
flat angles C4'-P-C4' energy: -86.808
flat angles P-C4'-P energy: -60.466
tors. eta vs tors. theta energy: -65.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -677.490298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.490298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.490298 (E_RNA)
where:
Base-Base interactions energy: -327.758
where: short stacking energy: -209.487
Base-Backbone interact. energy: -1.076
local terms energy: -348.656173
where:
bonds (distance) C4'-P energy: -84.483
bonds (distance) P-C4' energy: -85.861
flat angles C4'-P-C4' energy: -80.984
flat angles P-C4'-P energy: -63.245
tors. eta vs tors. theta energy: -34.084
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: 1
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -516.703077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.703077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.703077 (E_RNA)
where:
Base-Base interactions energy: -194.885
where: short stacking energy: -173.179
Base-Backbone interact. energy: -1.371
local terms energy: -320.447144
where:
bonds (distance) C4'-P energy: -72.250
bonds (distance) P-C4' energy: -88.750
flat angles C4'-P-C4' energy: -82.156
flat angles P-C4'-P energy: -47.730
tors. eta vs tors. theta energy: -29.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -407.784529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.784529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.784529 (E_RNA)
where:
Base-Base interactions energy: -156.050
where: short stacking energy: -129.525
Base-Backbone interact. energy: 0.746
local terms energy: -252.480241
where:
bonds (distance) C4'-P energy: -74.175
bonds (distance) P-C4' energy: -75.602
flat angles C4'-P-C4' energy: -75.166
flat angles P-C4'-P energy: -38.658
tors. eta vs tors. theta energy: 11.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -422.574861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.574861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.574861 (E_RNA)
where:
Base-Base interactions energy: -120.692
where: short stacking energy: -110.758
Base-Backbone interact. energy: -1.936
local terms energy: -299.946801
where:
bonds (distance) C4'-P energy: -81.586
bonds (distance) P-C4' energy: -78.228
flat angles C4'-P-C4' energy: -81.236
flat angles P-C4'-P energy: -58.058
tors. eta vs tors. theta energy: -0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -397.518873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.518873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.518873 (E_RNA)
where:
Base-Base interactions energy: -138.048
where: short stacking energy: -113.551
Base-Backbone interact. energy: 1.940
local terms energy: -261.410635
where:
bonds (distance) C4'-P energy: -79.936
bonds (distance) P-C4' energy: -85.455
flat angles C4'-P-C4' energy: -65.045
flat angles P-C4'-P energy: -42.978
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: 10, replica: 7
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -349.289563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.289563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.289563 (E_RNA)
where:
Base-Base interactions energy: -95.439
where: short stacking energy: -86.602
Base-Backbone interact. energy: -0.194
local terms energy: -253.656028
where:
bonds (distance) C4'-P energy: -73.707
bonds (distance) P-C4' energy: -85.445
flat angles C4'-P-C4' energy: -60.919
flat angles P-C4'-P energy: -50.427
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1257.614837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.614837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.614837 (E_RNA)
where:
Base-Base interactions energy: -761.348
where: short stacking energy: -428.093
Base-Backbone interact. energy: -2.056
local terms energy: -494.211435
where:
bonds (distance) C4'-P energy: -88.563
bonds (distance) P-C4' energy: -93.058
flat angles C4'-P-C4' energy: -110.921
flat angles P-C4'-P energy: -63.495
tors. eta vs tors. theta energy: -138.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1166.847139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.847139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.847139 (E_RNA)
where:
Base-Base interactions energy: -703.648
where: short stacking energy: -396.733
Base-Backbone interact. energy: -1.483
local terms energy: -461.716558
where:
bonds (distance) C4'-P energy: -85.376
bonds (distance) P-C4' energy: -97.487
flat angles C4'-P-C4' energy: -92.138
flat angles P-C4'-P energy: -67.987
tors. eta vs tors. theta energy: -118.729
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: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -881.725981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.725981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.725981 (E_RNA)
where:
Base-Base interactions energy: -465.006
where: short stacking energy: -317.776
Base-Backbone interact. energy: -1.070
local terms energy: -415.650487
where:
bonds (distance) C4'-P energy: -95.058
bonds (distance) P-C4' energy: -88.668
flat angles C4'-P-C4' energy: -89.796
flat angles P-C4'-P energy: -65.747
tors. eta vs tors. theta energy: -76.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -856.246286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.246286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.246286 (E_RNA)
where:
Base-Base interactions energy: -463.313
where: short stacking energy: -276.574
Base-Backbone interact. energy: -1.063
local terms energy: -391.870222
where:
bonds (distance) C4'-P energy: -82.360
bonds (distance) P-C4' energy: -89.582
flat angles C4'-P-C4' energy: -84.964
flat angles P-C4'-P energy: -63.887
tors. eta vs tors. theta energy: -71.076
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: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -702.999984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.999984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.999984 (E_RNA)
where:
Base-Base interactions energy: -331.153
where: short stacking energy: -252.939
Base-Backbone interact. energy: -0.776
local terms energy: -371.070551
where:
bonds (distance) C4'-P energy: -82.883
bonds (distance) P-C4' energy: -86.019
flat angles C4'-P-C4' energy: -85.222
flat angles P-C4'-P energy: -55.128
tors. eta vs tors. theta energy: -61.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -497.773606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.773606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.773606 (E_RNA)
where:
Base-Base interactions energy: -182.156
where: short stacking energy: -153.375
Base-Backbone interact. energy: 0.710
local terms energy: -316.327617
where:
bonds (distance) C4'-P energy: -84.860
bonds (distance) P-C4' energy: -92.701
flat angles C4'-P-C4' energy: -75.169
flat angles P-C4'-P energy: -54.707
tors. eta vs tors. theta energy: -8.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -456.183645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.183645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.183645 (E_RNA)
where:
Base-Base interactions energy: -172.408
where: short stacking energy: -138.884
Base-Backbone interact. energy: -2.496
local terms energy: -281.279769
where:
bonds (distance) C4'-P energy: -88.260
bonds (distance) P-C4' energy: -78.053
flat angles C4'-P-C4' energy: -72.011
flat angles P-C4'-P energy: -46.547
tors. eta vs tors. theta energy: 3.591
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: 2
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -427.451074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.451074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.451074 (E_RNA)
where:
Base-Base interactions energy: -145.934
where: short stacking energy: -142.067
Base-Backbone interact. energy: 1.275
local terms energy: -282.792657
where:
bonds (distance) C4'-P energy: -73.978
bonds (distance) P-C4' energy: -90.090
flat angles C4'-P-C4' energy: -69.160
flat angles P-C4'-P energy: -45.912
tors. eta vs tors. theta energy: -3.653
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: 6
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -381.820712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.820712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.820712 (E_RNA)
where:
Base-Base interactions energy: -134.204
where: short stacking energy: -114.787
Base-Backbone interact. energy: 3.091
local terms energy: -250.707357
where:
bonds (distance) C4'-P energy: -56.848
bonds (distance) P-C4' energy: -67.615
flat angles C4'-P-C4' energy: -86.581
flat angles P-C4'-P energy: -51.464
tors. eta vs tors. theta energy: 11.800
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: 10, replica: 7
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -371.655986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.655986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.655986 (E_RNA)
where:
Base-Base interactions energy: -150.920
where: short stacking energy: -133.130
Base-Backbone interact. energy: 4.860
local terms energy: -225.595829
where:
bonds (distance) C4'-P energy: -71.017
bonds (distance) P-C4' energy: -70.438
flat angles C4'-P-C4' energy: -53.949
flat angles P-C4'-P energy: -42.948
tors. eta vs tors. theta energy: 12.756
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1280.616773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.616773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.616773 (E_RNA)
where:
Base-Base interactions energy: -763.434
where: short stacking energy: -467.945
Base-Backbone interact. energy: -0.899
local terms energy: -516.284290
where:
bonds (distance) C4'-P energy: -94.725
bonds (distance) P-C4' energy: -95.202
flat angles C4'-P-C4' energy: -109.949
flat angles P-C4'-P energy: -66.696
tors. eta vs tors. theta energy: -149.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1122.168206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.168206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.168206 (E_RNA)
where:
Base-Base interactions energy: -659.181
where: short stacking energy: -373.727
Base-Backbone interact. energy: -0.834
local terms energy: -462.152938
where:
bonds (distance) C4'-P energy: -90.879
bonds (distance) P-C4' energy: -95.342
flat angles C4'-P-C4' energy: -88.043
flat angles P-C4'-P energy: -70.715
tors. eta vs tors. theta energy: -117.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -885.182066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.182066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.182066 (E_RNA)
where:
Base-Base interactions energy: -474.872
where: short stacking energy: -320.416
Base-Backbone interact. energy: 2.263
local terms energy: -412.572668
where:
bonds (distance) C4'-P energy: -94.476
bonds (distance) P-C4' energy: -85.690
flat angles C4'-P-C4' energy: -87.880
flat angles P-C4'-P energy: -65.468
tors. eta vs tors. theta energy: -79.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -813.674099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.674099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.674099 (E_RNA)
where:
Base-Base interactions energy: -421.314
where: short stacking energy: -246.996
Base-Backbone interact. energy: -1.205
local terms energy: -391.155107
where:
bonds (distance) C4'-P energy: -84.160
bonds (distance) P-C4' energy: -93.771
flat angles C4'-P-C4' energy: -93.460
flat angles P-C4'-P energy: -55.329
tors. eta vs tors. theta energy: -64.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -710.971175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.971175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.971175 (E_RNA)
where:
Base-Base interactions energy: -378.098
where: short stacking energy: -231.498
Base-Backbone interact. energy: -2.613
local terms energy: -330.260036
where:
bonds (distance) C4'-P energy: -67.815
bonds (distance) P-C4' energy: -97.675
flat angles C4'-P-C4' energy: -79.721
flat angles P-C4'-P energy: -40.104
tors. eta vs tors. theta energy: -44.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -531.614130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.614130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.614130 (E_RNA)
where:
Base-Base interactions energy: -201.045
where: short stacking energy: -188.901
Base-Backbone interact. energy: 0.317
local terms energy: -330.886574
where:
bonds (distance) C4'-P energy: -88.027
bonds (distance) P-C4' energy: -89.829
flat angles C4'-P-C4' energy: -88.471
flat angles P-C4'-P energy: -35.245
tors. eta vs tors. theta energy: -29.313
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: 1
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -444.651322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.651322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.651322 (E_RNA)
where:
Base-Base interactions energy: -159.074
where: short stacking energy: -130.200
Base-Backbone interact. energy: 2.894
local terms energy: -288.471719
where:
bonds (distance) C4'-P energy: -68.963
bonds (distance) P-C4' energy: -88.871
flat angles C4'-P-C4' energy: -81.259
flat angles P-C4'-P energy: -46.798
tors. eta vs tors. theta energy: -2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -453.929222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.929222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.929222 (E_RNA)
where:
Base-Base interactions energy: -178.979
where: short stacking energy: -138.488
Base-Backbone interact. energy: -2.629
local terms energy: -272.321276
where:
bonds (distance) C4'-P energy: -76.072
bonds (distance) P-C4' energy: -73.926
flat angles C4'-P-C4' energy: -66.723
flat angles P-C4'-P energy: -42.654
tors. eta vs tors. theta energy: -12.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -353.624583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.624583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.624583 (E_RNA)
where:
Base-Base interactions energy: -107.401
where: short stacking energy: -99.751
Base-Backbone interact. energy: -1.242
local terms energy: -244.981691
where:
bonds (distance) C4'-P energy: -70.282
bonds (distance) P-C4' energy: -88.364
flat angles C4'-P-C4' energy: -64.456
flat angles P-C4'-P energy: -28.000
tors. eta vs tors. theta energy: 6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -368.374333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.374333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.374333 (E_RNA)
where:
Base-Base interactions energy: -101.941
where: short stacking energy: -83.200
Base-Backbone interact. energy: -0.370
local terms energy: -266.062559
where:
bonds (distance) C4'-P energy: -75.582
bonds (distance) P-C4' energy: -96.558
flat angles C4'-P-C4' energy: -53.253
flat angles P-C4'-P energy: -43.151
tors. eta vs tors. theta energy: 2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1287.305516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.305516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.305516 (E_RNA)
where:
Base-Base interactions energy: -775.468
where: short stacking energy: -464.848
Base-Backbone interact. energy: -0.629
local terms energy: -511.208915
where:
bonds (distance) C4'-P energy: -101.910
bonds (distance) P-C4' energy: -92.635
flat angles C4'-P-C4' energy: -99.806
flat angles P-C4'-P energy: -68.366
tors. eta vs tors. theta energy: -148.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1102.443976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.443976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.443976 (E_RNA)
where:
Base-Base interactions energy: -656.187
where: short stacking energy: -395.752
Base-Backbone interact. energy: -1.819
local terms energy: -444.438011
where:
bonds (distance) C4'-P energy: -78.232
bonds (distance) P-C4' energy: -95.703
flat angles C4'-P-C4' energy: -97.619
flat angles P-C4'-P energy: -60.777
tors. eta vs tors. theta energy: -112.107
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: 3
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -905.205222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.205222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.205222 (E_RNA)
where:
Base-Base interactions energy: -481.670
where: short stacking energy: -325.439
Base-Backbone interact. energy: -0.496
local terms energy: -423.040067
where:
bonds (distance) C4'-P energy: -92.727
bonds (distance) P-C4' energy: -90.800
flat angles C4'-P-C4' energy: -90.735
flat angles P-C4'-P energy: -60.965
tors. eta vs tors. theta energy: -87.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -861.881722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.881722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.881722 (E_RNA)
where:
Base-Base interactions energy: -466.186
where: short stacking energy: -290.279
Base-Backbone interact. energy: 2.416
local terms energy: -398.111892
where:
bonds (distance) C4'-P energy: -97.890
bonds (distance) P-C4' energy: -79.703
flat angles C4'-P-C4' energy: -83.180
flat angles P-C4'-P energy: -54.820
tors. eta vs tors. theta energy: -82.518
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: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -719.710519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.710519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.710519 (E_RNA)
where:
Base-Base interactions energy: -362.856
where: short stacking energy: -215.561
Base-Backbone interact. energy: 1.830
local terms energy: -358.684700
where:
bonds (distance) C4'-P energy: -93.828
bonds (distance) P-C4' energy: -82.923
flat angles C4'-P-C4' energy: -85.140
flat angles P-C4'-P energy: -53.639
tors. eta vs tors. theta energy: -43.155
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: 483
Temperature: 1.150000
Total energy: -469.959809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.959809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.959809 (E_RNA)
where:
Base-Base interactions energy: -170.222
where: short stacking energy: -164.953
Base-Backbone interact. energy: 2.116
local terms energy: -301.853696
where:
bonds (distance) C4'-P energy: -78.880
bonds (distance) P-C4' energy: -79.673
flat angles C4'-P-C4' energy: -73.235
flat angles P-C4'-P energy: -44.766
tors. eta vs tors. theta energy: -25.300
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: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -472.672947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.672947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.672947 (E_RNA)
where:
Base-Base interactions energy: -174.118
where: short stacking energy: -154.088
Base-Backbone interact. energy: -0.562
local terms energy: -297.992031
where:
bonds (distance) C4'-P energy: -78.591
bonds (distance) P-C4' energy: -91.753
flat angles C4'-P-C4' energy: -79.759
flat angles P-C4'-P energy: -27.771
tors. eta vs tors. theta energy: -20.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -428.426297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.426297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.426297 (E_RNA)
where:
Base-Base interactions energy: -173.621
where: short stacking energy: -124.576
Base-Backbone interact. energy: -0.990
local terms energy: -253.815704
where:
bonds (distance) C4'-P energy: -65.252
bonds (distance) P-C4' energy: -84.785
flat angles C4'-P-C4' energy: -69.018
flat angles P-C4'-P energy: -27.516
tors. eta vs tors. theta energy: -7.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -380.832276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.832276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.832276 (E_RNA)
where:
Base-Base interactions energy: -111.056
where: short stacking energy: -106.853
Base-Backbone interact. energy: 0.252
local terms energy: -270.028343
where:
bonds (distance) C4'-P energy: -76.002
bonds (distance) P-C4' energy: -87.892
flat angles C4'-P-C4' energy: -70.780
flat angles P-C4'-P energy: -43.368
tors. eta vs tors. theta energy: 8.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -346.457213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.457213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.457213 (E_RNA)
where:
Base-Base interactions energy: -109.488
where: short stacking energy: -99.432
Base-Backbone interact. energy: 1.460
local terms energy: -238.429711
where:
bonds (distance) C4'-P energy: -66.617
bonds (distance) P-C4' energy: -79.047
flat angles C4'-P-C4' energy: -55.550
flat angles P-C4'-P energy: -45.914
tors. eta vs tors. theta energy: 8.697
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1245.799097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.799097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.799097 (E_RNA)
where:
Base-Base interactions energy: -750.637
where: short stacking energy: -448.115
Base-Backbone interact. energy: -0.812
local terms energy: -494.350646
where:
bonds (distance) C4'-P energy: -91.724
bonds (distance) P-C4' energy: -93.153
flat angles C4'-P-C4' energy: -106.876
flat angles P-C4'-P energy: -63.815
tors. eta vs tors. theta energy: -138.783
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: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1134.944267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.944267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.944267 (E_RNA)
where:
Base-Base interactions energy: -670.507
where: short stacking energy: -406.626
Base-Backbone interact. energy: -0.874
local terms energy: -463.563012
where:
bonds (distance) C4'-P energy: -85.917
bonds (distance) P-C4' energy: -89.625
flat angles C4'-P-C4' energy: -104.477
flat angles P-C4'-P energy: -68.859
tors. eta vs tors. theta energy: -114.685
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: 9
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -912.286020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.286020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.286020 (E_RNA)
where:
Base-Base interactions energy: -519.199
where: short stacking energy: -287.608
Base-Backbone interact. energy: -2.202
local terms energy: -390.884635
where:
bonds (distance) C4'-P energy: -89.408
bonds (distance) P-C4' energy: -88.522
flat angles C4'-P-C4' energy: -90.010
flat angles P-C4'-P energy: -60.399
tors. eta vs tors. theta energy: -62.546
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: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -839.231044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.231044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.231044 (E_RNA)
where:
Base-Base interactions energy: -451.938
where: short stacking energy: -273.090
Base-Backbone interact. energy: 0.522
local terms energy: -387.815364
where:
bonds (distance) C4'-P energy: -67.404
bonds (distance) P-C4' energy: -101.226
flat angles C4'-P-C4' energy: -98.906
flat angles P-C4'-P energy: -57.677
tors. eta vs tors. theta energy: -62.601
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: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -746.276580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.276580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.276580 (E_RNA)
where:
Base-Base interactions energy: -393.606
where: short stacking energy: -235.390
Base-Backbone interact. energy: 0.682
local terms energy: -353.352315
where:
bonds (distance) C4'-P energy: -85.307
bonds (distance) P-C4' energy: -85.188
flat angles C4'-P-C4' energy: -96.243
flat angles P-C4'-P energy: -52.920
tors. eta vs tors. theta energy: -33.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -502.991101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.991101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.991101 (E_RNA)
where:
Base-Base interactions energy: -201.714
where: short stacking energy: -196.589
Base-Backbone interact. energy: -0.087
local terms energy: -301.189665
where:
bonds (distance) C4'-P energy: -75.123
bonds (distance) P-C4' energy: -73.741
flat angles C4'-P-C4' energy: -79.216
flat angles P-C4'-P energy: -45.912
tors. eta vs tors. theta energy: -27.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -431.916427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.916427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.916427 (E_RNA)
where:
Base-Base interactions energy: -157.127
where: short stacking energy: -130.025
Base-Backbone interact. energy: -1.389
local terms energy: -273.400014
where:
bonds (distance) C4'-P energy: -82.854
bonds (distance) P-C4' energy: -91.781
flat angles C4'-P-C4' energy: -64.459
flat angles P-C4'-P energy: -38.160
tors. eta vs tors. theta energy: 3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -424.409793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.409793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.409793 (E_RNA)
where:
Base-Base interactions energy: -155.727
where: short stacking energy: -145.281
Base-Backbone interact. energy: 0.723
local terms energy: -269.405890
where:
bonds (distance) C4'-P energy: -72.354
bonds (distance) P-C4' energy: -83.695
flat angles C4'-P-C4' energy: -68.374
flat angles P-C4'-P energy: -41.217
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -397.365794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.365794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.365794 (E_RNA)
where:
Base-Base interactions energy: -140.022
where: short stacking energy: -107.865
Base-Backbone interact. energy: -2.617
local terms energy: -254.726182
where:
bonds (distance) C4'-P energy: -85.336
bonds (distance) P-C4' energy: -69.410
flat angles C4'-P-C4' energy: -57.461
flat angles P-C4'-P energy: -51.023
tors. eta vs tors. theta energy: 8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -377.939180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.939180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.939180 (E_RNA)
where:
Base-Base interactions energy: -102.334
where: short stacking energy: -92.809
Base-Backbone interact. energy: -1.566
local terms energy: -274.039223
where:
bonds (distance) C4'-P energy: -81.327
bonds (distance) P-C4' energy: -77.354
flat angles C4'-P-C4' energy: -71.521
flat angles P-C4'-P energy: -49.788
tors. eta vs tors. theta energy: 5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1273.901204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.901204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.901204 (E_RNA)
where:
Base-Base interactions energy: -779.052
where: short stacking energy: -458.523
Base-Backbone interact. energy: -0.329
local terms energy: -494.519773
where:
bonds (distance) C4'-P energy: -92.685
bonds (distance) P-C4' energy: -95.591
flat angles C4'-P-C4' energy: -102.751
flat angles P-C4'-P energy: -63.646
tors. eta vs tors. theta energy: -139.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1119.945179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.945179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.945179 (E_RNA)
where:
Base-Base interactions energy: -671.793
where: short stacking energy: -403.221
Base-Backbone interact. energy: -0.141
local terms energy: -448.011385
where:
bonds (distance) C4'-P energy: -91.171
bonds (distance) P-C4' energy: -84.659
flat angles C4'-P-C4' energy: -99.279
flat angles P-C4'-P energy: -65.299
tors. eta vs tors. theta energy: -107.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -977.777785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.777785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.777785 (E_RNA)
where:
Base-Base interactions energy: -569.500
where: short stacking energy: -326.936
Base-Backbone interact. energy: 1.199
local terms energy: -409.476750
where:
bonds (distance) C4'-P energy: -90.974
bonds (distance) P-C4' energy: -88.571
flat angles C4'-P-C4' energy: -92.473
flat angles P-C4'-P energy: -56.122
tors. eta vs tors. theta energy: -81.337
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: 3
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -860.094087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.094087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.094087 (E_RNA)
where:
Base-Base interactions energy: -472.901
where: short stacking energy: -281.512
Base-Backbone interact. energy: 0.718
local terms energy: -387.911616
where:
bonds (distance) C4'-P energy: -84.824
bonds (distance) P-C4' energy: -85.728
flat angles C4'-P-C4' energy: -91.576
flat angles P-C4'-P energy: -65.323
tors. eta vs tors. theta energy: -60.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -736.895619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.895619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.895619 (E_RNA)
where:
Base-Base interactions energy: -372.138
where: short stacking energy: -248.203
Base-Backbone interact. energy: -0.684
local terms energy: -364.073852
where:
bonds (distance) C4'-P energy: -75.517
bonds (distance) P-C4' energy: -93.434
flat angles C4'-P-C4' energy: -92.469
flat angles P-C4'-P energy: -53.551
tors. eta vs tors. theta energy: -49.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -522.912586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.912586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.912586 (E_RNA)
where:
Base-Base interactions energy: -209.770
where: short stacking energy: -155.708
Base-Backbone interact. energy: -0.826
local terms energy: -312.316725
where:
bonds (distance) C4'-P energy: -86.638
bonds (distance) P-C4' energy: -88.145
flat angles C4'-P-C4' energy: -69.845
flat angles P-C4'-P energy: -46.237
tors. eta vs tors. theta energy: -21.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -467.185217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.185217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.185217 (E_RNA)
where:
Base-Base interactions energy: -168.651
where: short stacking energy: -152.088
Base-Backbone interact. energy: -2.270
local terms energy: -296.264418
where:
bonds (distance) C4'-P energy: -87.238
bonds (distance) P-C4' energy: -86.892
flat angles C4'-P-C4' energy: -69.613
flat angles P-C4'-P energy: -31.329
tors. eta vs tors. theta energy: -21.192
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: 7
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -419.716529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.716529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.716529 (E_RNA)
where:
Base-Base interactions energy: -142.931
where: short stacking energy: -125.758
Base-Backbone interact. energy: -1.054
local terms energy: -275.731765
where:
bonds (distance) C4'-P energy: -92.476
bonds (distance) P-C4' energy: -87.156
flat angles C4'-P-C4' energy: -66.624
flat angles P-C4'-P energy: -34.148
tors. eta vs tors. theta energy: 4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -390.653586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.653586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.653586 (E_RNA)
where:
Base-Base interactions energy: -127.836
where: short stacking energy: -104.695
Base-Backbone interact. energy: 2.269
local terms energy: -265.087157
where:
bonds (distance) C4'-P energy: -83.566
bonds (distance) P-C4' energy: -79.873
flat angles C4'-P-C4' energy: -68.100
flat angles P-C4'-P energy: -37.693
tors. eta vs tors. theta energy: 4.146
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: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -358.095796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.095796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.095796 (E_RNA)
where:
Base-Base interactions energy: -133.209
where: short stacking energy: -115.469
Base-Backbone interact. energy: 1.289
local terms energy: -226.175904
where:
bonds (distance) C4'-P energy: -68.309
bonds (distance) P-C4' energy: -80.235
flat angles C4'-P-C4' energy: -52.783
flat angles P-C4'-P energy: -39.173
tors. eta vs tors. theta energy: 14.325
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1252.860697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.860697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.860697 (E_RNA)
where:
Base-Base interactions energy: -761.696
where: short stacking energy: -447.536
Base-Backbone interact. energy: -0.106
local terms energy: -491.058437
where:
bonds (distance) C4'-P energy: -88.560
bonds (distance) P-C4' energy: -91.142
flat angles C4'-P-C4' energy: -103.601
flat angles P-C4'-P energy: -72.798
tors. eta vs tors. theta energy: -134.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1097.523402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.523402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.523402 (E_RNA)
where:
Base-Base interactions energy: -657.539
where: short stacking energy: -364.206
Base-Backbone interact. energy: -1.707
local terms energy: -438.277454
where:
bonds (distance) C4'-P energy: -86.225
bonds (distance) P-C4' energy: -79.494
flat angles C4'-P-C4' energy: -99.986
flat angles P-C4'-P energy: -65.514
tors. eta vs tors. theta energy: -107.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -982.848667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.848667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.848667 (E_RNA)
where:
Base-Base interactions energy: -548.135
where: short stacking energy: -325.674
Base-Backbone interact. energy: -2.651
local terms energy: -432.061891
where:
bonds (distance) C4'-P energy: -97.657
bonds (distance) P-C4' energy: -86.609
flat angles C4'-P-C4' energy: -90.260
flat angles P-C4'-P energy: -73.864
tors. eta vs tors. theta energy: -83.671
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: 3
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -834.811748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.811748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.811748 (E_RNA)
where:
Base-Base interactions energy: -457.063
where: short stacking energy: -257.741
Base-Backbone interact. energy: -1.594
local terms energy: -376.154283
where:
bonds (distance) C4'-P energy: -88.970
bonds (distance) P-C4' energy: -92.355
flat angles C4'-P-C4' energy: -73.961
flat angles P-C4'-P energy: -62.994
tors. eta vs tors. theta energy: -57.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -695.165263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.165263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.165263 (E_RNA)
where:
Base-Base interactions energy: -364.928
where: short stacking energy: -221.738
Base-Backbone interact. energy: -0.964
local terms energy: -329.273904
where:
bonds (distance) C4'-P energy: -88.175
bonds (distance) P-C4' energy: -74.314
flat angles C4'-P-C4' energy: -78.378
flat angles P-C4'-P energy: -57.828
tors. eta vs tors. theta energy: -30.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -498.917370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.917370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.917370 (E_RNA)
where:
Base-Base interactions energy: -185.321
where: short stacking energy: -172.469
Base-Backbone interact. energy: -0.797
local terms energy: -312.799954
where:
bonds (distance) C4'-P energy: -82.315
bonds (distance) P-C4' energy: -67.732
flat angles C4'-P-C4' energy: -77.892
flat angles P-C4'-P energy: -58.963
tors. eta vs tors. theta energy: -25.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -455.244136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.244136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.244136 (E_RNA)
where:
Base-Base interactions energy: -147.254
where: short stacking energy: -127.202
Base-Backbone interact. energy: -1.422
local terms energy: -306.567539
where:
bonds (distance) C4'-P energy: -84.612
bonds (distance) P-C4' energy: -96.340
flat angles C4'-P-C4' energy: -78.438
flat angles P-C4'-P energy: -50.654
tors. eta vs tors. theta energy: 3.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -404.770903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.770903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.770903 (E_RNA)
where:
Base-Base interactions energy: -153.141
where: short stacking energy: -130.077
Base-Backbone interact. energy: 3.649
local terms energy: -255.279211
where:
bonds (distance) C4'-P energy: -50.450
bonds (distance) P-C4' energy: -82.372
flat angles C4'-P-C4' energy: -65.823
flat angles P-C4'-P energy: -49.592
tors. eta vs tors. theta energy: -7.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -386.024268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.024268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.024268 (E_RNA)
where:
Base-Base interactions energy: -134.479
where: short stacking energy: -108.954
Base-Backbone interact. energy: 3.096
local terms energy: -254.641138
where:
bonds (distance) C4'-P energy: -78.749
bonds (distance) P-C4' energy: -81.711
flat angles C4'-P-C4' energy: -66.944
flat angles P-C4'-P energy: -32.082
tors. eta vs tors. theta energy: 4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -352.268008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.268008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.268008 (E_RNA)
where:
Base-Base interactions energy: -86.460
where: short stacking energy: -79.303
Base-Backbone interact. energy: 0.425
local terms energy: -266.232576
where:
bonds (distance) C4'-P energy: -83.231
bonds (distance) P-C4' energy: -83.223
flat angles C4'-P-C4' energy: -84.137
flat angles P-C4'-P energy: -39.013
tors. eta vs tors. theta energy: 23.371
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1220.295581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.295581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.295581 (E_RNA)
where:
Base-Base interactions energy: -748.169
where: short stacking energy: -443.706
Base-Backbone interact. energy: -1.083
local terms energy: -471.043251
where:
bonds (distance) C4'-P energy: -87.118
bonds (distance) P-C4' energy: -89.892
flat angles C4'-P-C4' energy: -112.793
flat angles P-C4'-P energy: -49.842
tors. eta vs tors. theta energy: -131.399
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: 487
Temperature: 0.950000
Total energy: -1113.209377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.209377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.209377 (E_RNA)
where:
Base-Base interactions energy: -639.478
where: short stacking energy: -374.359
Base-Backbone interact. energy: -1.019
local terms energy: -472.712250
where:
bonds (distance) C4'-P energy: -87.948
bonds (distance) P-C4' energy: -94.699
flat angles C4'-P-C4' energy: -99.206
flat angles P-C4'-P energy: -73.206
tors. eta vs tors. theta energy: -117.653
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: 9
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -952.822735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.822735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.822735 (E_RNA)
where:
Base-Base interactions energy: -512.333
where: short stacking energy: -310.787
Base-Backbone interact. energy: -0.735
local terms energy: -439.755091
where:
bonds (distance) C4'-P energy: -95.753
bonds (distance) P-C4' energy: -95.118
flat angles C4'-P-C4' energy: -95.559
flat angles P-C4'-P energy: -70.165
tors. eta vs tors. theta energy: -83.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -850.354582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.354582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.354582 (E_RNA)
where:
Base-Base interactions energy: -472.245
where: short stacking energy: -281.650
Base-Backbone interact. energy: 1.028
local terms energy: -379.136958
where:
bonds (distance) C4'-P energy: -83.678
bonds (distance) P-C4' energy: -98.302
flat angles C4'-P-C4' energy: -91.346
flat angles P-C4'-P energy: -49.452
tors. eta vs tors. theta energy: -56.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -737.654859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.654859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.654859 (E_RNA)
where:
Base-Base interactions energy: -378.517
where: short stacking energy: -224.470
Base-Backbone interact. energy: -0.008
local terms energy: -359.129511
where:
bonds (distance) C4'-P energy: -77.384
bonds (distance) P-C4' energy: -95.887
flat angles C4'-P-C4' energy: -87.533
flat angles P-C4'-P energy: -51.602
tors. eta vs tors. theta energy: -46.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -476.679734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.679734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.679734 (E_RNA)
where:
Base-Base interactions energy: -192.366
where: short stacking energy: -152.609
Base-Backbone interact. energy: -0.689
local terms energy: -283.624066
where:
bonds (distance) C4'-P energy: -80.234
bonds (distance) P-C4' energy: -72.231
flat angles C4'-P-C4' energy: -82.848
flat angles P-C4'-P energy: -41.900
tors. eta vs tors. theta energy: -6.412
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: 1
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -459.444635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.444635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.444635 (E_RNA)
where:
Base-Base interactions energy: -164.306
where: short stacking energy: -132.511
Base-Backbone interact. energy: 4.851
local terms energy: -299.989053
where:
bonds (distance) C4'-P energy: -82.280
bonds (distance) P-C4' energy: -82.963
flat angles C4'-P-C4' energy: -72.808
flat angles P-C4'-P energy: -50.358
tors. eta vs tors. theta energy: -11.581
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: 8, replica: 10
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -403.782185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.782185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.782185 (E_RNA)
where:
Base-Base interactions energy: -151.431
where: short stacking energy: -135.584
Base-Backbone interact. energy: 1.474
local terms energy: -253.825469
where:
bonds (distance) C4'-P energy: -62.459
bonds (distance) P-C4' energy: -81.021
flat angles C4'-P-C4' energy: -69.531
flat angles P-C4'-P energy: -45.738
tors. eta vs tors. theta energy: 4.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -396.475915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.475915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.475915 (E_RNA)
where:
Base-Base interactions energy: -126.453
where: short stacking energy: -106.433
Base-Backbone interact. energy: 2.407
local terms energy: -272.429935
where:
bonds (distance) C4'-P energy: -78.058
bonds (distance) P-C4' energy: -89.898
flat angles C4'-P-C4' energy: -58.622
flat angles P-C4'-P energy: -38.047
tors. eta vs tors. theta energy: -7.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -347.275503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.275503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.275503 (E_RNA)
where:
Base-Base interactions energy: -108.614
where: short stacking energy: -98.785
Base-Backbone interact. energy: 1.673
local terms energy: -240.334629
where:
bonds (distance) C4'-P energy: -80.233
bonds (distance) P-C4' energy: -80.249
flat angles C4'-P-C4' energy: -70.146
flat angles P-C4'-P energy: -30.182
tors. eta vs tors. theta energy: 20.476
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1236.186686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.186686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.186686 (E_RNA)
where:
Base-Base interactions energy: -749.746
where: short stacking energy: -432.516
Base-Backbone interact. energy: 1.987
local terms energy: -488.426758
where:
bonds (distance) C4'-P energy: -93.909
bonds (distance) P-C4' energy: -93.726
flat angles C4'-P-C4' energy: -94.138
flat angles P-C4'-P energy: -67.661
tors. eta vs tors. theta energy: -138.993
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: 2, replica: 4
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1118.020288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.020288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.020288 (E_RNA)
where:
Base-Base interactions energy: -673.283
where: short stacking energy: -387.317
Base-Backbone interact. energy: -0.758
local terms energy: -443.979458
where:
bonds (distance) C4'-P energy: -80.540
bonds (distance) P-C4' energy: -88.221
flat angles C4'-P-C4' energy: -96.006
flat angles P-C4'-P energy: -62.356
tors. eta vs tors. theta energy: -116.857
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: 9
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -921.701366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.701366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.701366 (E_RNA)
where:
Base-Base interactions energy: -521.226
where: short stacking energy: -322.669
Base-Backbone interact. energy: -0.889
local terms energy: -399.586696
where:
bonds (distance) C4'-P energy: -88.553
bonds (distance) P-C4' energy: -92.362
flat angles C4'-P-C4' energy: -83.942
flat angles P-C4'-P energy: -51.166
tors. eta vs tors. theta energy: -83.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -836.120820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.120820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.120820 (E_RNA)
where:
Base-Base interactions energy: -449.748
where: short stacking energy: -277.007
Base-Backbone interact. energy: -0.970
local terms energy: -385.402105
where:
bonds (distance) C4'-P energy: -83.815
bonds (distance) P-C4' energy: -90.598
flat angles C4'-P-C4' energy: -90.654
flat angles P-C4'-P energy: -62.540
tors. eta vs tors. theta energy: -57.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -701.482045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.482045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.482045 (E_RNA)
where:
Base-Base interactions energy: -354.539
where: short stacking energy: -206.738
Base-Backbone interact. energy: -0.658
local terms energy: -346.285141
where:
bonds (distance) C4'-P energy: -86.168
bonds (distance) P-C4' energy: -91.223
flat angles C4'-P-C4' energy: -75.416
flat angles P-C4'-P energy: -54.332
tors. eta vs tors. theta energy: -39.147
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: 2
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -472.142762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.142762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.142762 (E_RNA)
where:
Base-Base interactions energy: -194.379
where: short stacking energy: -169.386
Base-Backbone interact. energy: 1.633
local terms energy: -279.396800
where:
bonds (distance) C4'-P energy: -75.740
bonds (distance) P-C4' energy: -73.717
flat angles C4'-P-C4' energy: -73.625
flat angles P-C4'-P energy: -52.884
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -434.325866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.325866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.325866 (E_RNA)
where:
Base-Base interactions energy: -173.614
where: short stacking energy: -146.168
Base-Backbone interact. energy: 1.565
local terms energy: -262.277065
where:
bonds (distance) C4'-P energy: -84.328
bonds (distance) P-C4' energy: -63.634
flat angles C4'-P-C4' energy: -69.001
flat angles P-C4'-P energy: -38.106
tors. eta vs tors. theta energy: -7.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -416.124152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.124152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.124152 (E_RNA)
where:
Base-Base interactions energy: -147.663
where: short stacking energy: -140.989
Base-Backbone interact. energy: -0.052
local terms energy: -268.409204
where:
bonds (distance) C4'-P energy: -70.478
bonds (distance) P-C4' energy: -75.313
flat angles C4'-P-C4' energy: -74.422
flat angles P-C4'-P energy: -41.276
tors. eta vs tors. theta energy: -6.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -362.559827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.559827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.559827 (E_RNA)
where:
Base-Base interactions energy: -121.749
where: short stacking energy: -91.830
Base-Backbone interact. energy: 0.109
local terms energy: -240.919963
where:
bonds (distance) C4'-P energy: -85.747
bonds (distance) P-C4' energy: -86.947
flat angles C4'-P-C4' energy: -57.553
flat angles P-C4'-P energy: -40.930
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: 10, replica: 7
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -335.125279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.125279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.125279 (E_RNA)
where:
Base-Base interactions energy: -111.304
where: short stacking energy: -94.818
Base-Backbone interact. energy: -0.488
local terms energy: -223.333171
where:
bonds (distance) C4'-P energy: -68.254
bonds (distance) P-C4' energy: -76.479
flat angles C4'-P-C4' energy: -69.900
flat angles P-C4'-P energy: -45.472
tors. eta vs tors. theta energy: 36.770
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1209.482741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.482741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.482741 (E_RNA)
where:
Base-Base interactions energy: -717.927
where: short stacking energy: -414.952
Base-Backbone interact. energy: 0.618
local terms energy: -492.173347
where:
bonds (distance) C4'-P energy: -87.553
bonds (distance) P-C4' energy: -94.277
flat angles C4'-P-C4' energy: -97.811
flat angles P-C4'-P energy: -74.951
tors. eta vs tors. theta energy: -137.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1129.603570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.603570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.603570 (E_RNA)
where:
Base-Base interactions energy: -659.906
where: short stacking energy: -408.016
Base-Backbone interact. energy: -2.055
local terms energy: -467.642402
where:
bonds (distance) C4'-P energy: -86.885
bonds (distance) P-C4' energy: -101.485
flat angles C4'-P-C4' energy: -95.775
flat angles P-C4'-P energy: -69.022
tors. eta vs tors. theta energy: -114.475
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: 3, replica: 9
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -912.165421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.165421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.165421 (E_RNA)
where:
Base-Base interactions energy: -514.783
where: short stacking energy: -328.068
Base-Backbone interact. energy: 0.969
local terms energy: -398.351553
where:
bonds (distance) C4'-P energy: -89.396
bonds (distance) P-C4' energy: -95.543
flat angles C4'-P-C4' energy: -78.448
flat angles P-C4'-P energy: -57.931
tors. eta vs tors. theta energy: -77.033
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: 3
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -837.141056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.141056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.141056 (E_RNA)
where:
Base-Base interactions energy: -446.174
where: short stacking energy: -289.896
Base-Backbone interact. energy: -0.345
local terms energy: -390.622451
where:
bonds (distance) C4'-P energy: -93.176
bonds (distance) P-C4' energy: -98.862
flat angles C4'-P-C4' energy: -85.974
flat angles P-C4'-P energy: -49.047
tors. eta vs tors. theta energy: -63.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -691.409956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.409956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.409956 (E_RNA)
where:
Base-Base interactions energy: -324.451
where: short stacking energy: -231.433
Base-Backbone interact. energy: 1.093
local terms energy: -368.051484
where:
bonds (distance) C4'-P energy: -75.741
bonds (distance) P-C4' energy: -93.133
flat angles C4'-P-C4' energy: -78.767
flat angles P-C4'-P energy: -63.908
tors. eta vs tors. theta energy: -56.503
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: 1
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -498.798836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.798836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.798836 (E_RNA)
where:
Base-Base interactions energy: -200.320
where: short stacking energy: -179.229
Base-Backbone interact. energy: 2.447
local terms energy: -300.926042
where:
bonds (distance) C4'-P energy: -83.116
bonds (distance) P-C4' energy: -76.375
flat angles C4'-P-C4' energy: -77.244
flat angles P-C4'-P energy: -49.356
tors. eta vs tors. theta energy: -14.834
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: 2
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -464.573958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.573958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.573958 (E_RNA)
where:
Base-Base interactions energy: -170.759
where: short stacking energy: -152.008
Base-Backbone interact. energy: -0.547
local terms energy: -293.267518
where:
bonds (distance) C4'-P energy: -80.818
bonds (distance) P-C4' energy: -78.505
flat angles C4'-P-C4' energy: -67.508
flat angles P-C4'-P energy: -48.380
tors. eta vs tors. theta energy: -18.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -415.734743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.734743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.734743 (E_RNA)
where:
Base-Base interactions energy: -153.405
where: short stacking energy: -134.959
Base-Backbone interact. energy: 1.622
local terms energy: -263.951876
where:
bonds (distance) C4'-P energy: -70.595
bonds (distance) P-C4' energy: -71.219
flat angles C4'-P-C4' energy: -89.686
flat angles P-C4'-P energy: -32.120
tors. eta vs tors. theta energy: -0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -401.541115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.541115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.541115 (E_RNA)
where:
Base-Base interactions energy: -116.886
where: short stacking energy: -116.168
Base-Backbone interact. energy: -0.433
local terms energy: -284.222185
where:
bonds (distance) C4'-P energy: -75.664
bonds (distance) P-C4' energy: -90.181
flat angles C4'-P-C4' energy: -69.886
flat angles P-C4'-P energy: -39.494
tors. eta vs tors. theta energy: -8.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -380.567128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.567128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.567128 (E_RNA)
where:
Base-Base interactions energy: -117.390
where: short stacking energy: -108.988
Base-Backbone interact. energy: -0.965
local terms energy: -262.211998
where:
bonds (distance) C4'-P energy: -96.228
bonds (distance) P-C4' energy: -66.723
flat angles C4'-P-C4' energy: -56.141
flat angles P-C4'-P energy: -48.634
tors. eta vs tors. theta energy: 5.514
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1266.247349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.247349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.247349 (E_RNA)
where:
Base-Base interactions energy: -753.705
where: short stacking energy: -443.360
Base-Backbone interact. energy: -1.108
local terms energy: -511.434133
where:
bonds (distance) C4'-P energy: -85.391
bonds (distance) P-C4' energy: -97.397
flat angles C4'-P-C4' energy: -108.941
flat angles P-C4'-P energy: -75.434
tors. eta vs tors. theta energy: -144.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1146.382036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.382036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.382036 (E_RNA)
where:
Base-Base interactions energy: -670.009
where: short stacking energy: -395.739
Base-Backbone interact. energy: 0.918
local terms energy: -477.290875
where:
bonds (distance) C4'-P energy: -99.689
bonds (distance) P-C4' energy: -92.063
flat angles C4'-P-C4' energy: -111.248
flat angles P-C4'-P energy: -56.566
tors. eta vs tors. theta energy: -117.724
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: 9
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -897.199992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.199992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.199992 (E_RNA)
where:
Base-Base interactions energy: -498.621
where: short stacking energy: -326.207
Base-Backbone interact. energy: -1.417
local terms energy: -397.161653
where:
bonds (distance) C4'-P energy: -72.129
bonds (distance) P-C4' energy: -94.893
flat angles C4'-P-C4' energy: -89.127
flat angles P-C4'-P energy: -62.452
tors. eta vs tors. theta energy: -78.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -807.302108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.302108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.302108 (E_RNA)
where:
Base-Base interactions energy: -406.261
where: short stacking energy: -263.327
Base-Backbone interact. energy: 2.178
local terms energy: -403.219205
where:
bonds (distance) C4'-P energy: -89.221
bonds (distance) P-C4' energy: -88.825
flat angles C4'-P-C4' energy: -98.598
flat angles P-C4'-P energy: -61.983
tors. eta vs tors. theta energy: -64.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -718.874897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.874897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.874897 (E_RNA)
where:
Base-Base interactions energy: -362.916
where: short stacking energy: -244.703
Base-Backbone interact. energy: -1.701
local terms energy: -354.257741
where:
bonds (distance) C4'-P energy: -87.466
bonds (distance) P-C4' energy: -81.289
flat angles C4'-P-C4' energy: -76.903
flat angles P-C4'-P energy: -58.121
tors. eta vs tors. theta energy: -50.480
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: 1
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -466.670047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.670047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.670047 (E_RNA)
where:
Base-Base interactions energy: -171.259
where: short stacking energy: -163.769
Base-Backbone interact. energy: -1.035
local terms energy: -294.375881
where:
bonds (distance) C4'-P energy: -84.691
bonds (distance) P-C4' energy: -89.481
flat angles C4'-P-C4' energy: -70.220
flat angles P-C4'-P energy: -47.060
tors. eta vs tors. theta energy: -2.925
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: 10
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -453.470978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.470978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.470978 (E_RNA)
where:
Base-Base interactions energy: -177.186
where: short stacking energy: -147.222
Base-Backbone interact. energy: -1.728
local terms energy: -274.557153
where:
bonds (distance) C4'-P energy: -57.882
bonds (distance) P-C4' energy: -80.261
flat angles C4'-P-C4' energy: -64.180
flat angles P-C4'-P energy: -55.772
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -404.502023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.502023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.502023 (E_RNA)
where:
Base-Base interactions energy: -135.947
where: short stacking energy: -129.832
Base-Backbone interact. energy: -0.042
local terms energy: -268.512583
where:
bonds (distance) C4'-P energy: -78.395
bonds (distance) P-C4' energy: -84.690
flat angles C4'-P-C4' energy: -60.761
flat angles P-C4'-P energy: -39.790
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -373.795661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.795661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.795661 (E_RNA)
where:
Base-Base interactions energy: -124.134
where: short stacking energy: -124.959
Base-Backbone interact. energy: 0.077
local terms energy: -249.738918
where:
bonds (distance) C4'-P energy: -82.495
bonds (distance) P-C4' energy: -68.335
flat angles C4'-P-C4' energy: -65.762
flat angles P-C4'-P energy: -33.823
tors. eta vs tors. theta energy: 0.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -383.581780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.581780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.581780 (E_RNA)
where:
Base-Base interactions energy: -112.038
where: short stacking energy: -109.081
Base-Backbone interact. energy: -3.362
local terms energy: -268.182602
where:
bonds (distance) C4'-P energy: -85.900
bonds (distance) P-C4' energy: -78.054
flat angles C4'-P-C4' energy: -54.001
flat angles P-C4'-P energy: -46.166
tors. eta vs tors. theta energy: -4.061
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1238.992764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.992764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.992764 (E_RNA)
where:
Base-Base interactions energy: -746.343
where: short stacking energy: -428.469
Base-Backbone interact. energy: 0.285
local terms energy: -492.935350
where:
bonds (distance) C4'-P energy: -99.664
bonds (distance) P-C4' energy: -99.938
flat angles C4'-P-C4' energy: -99.782
flat angles P-C4'-P energy: -66.361
tors. eta vs tors. theta energy: -127.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1163.358583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.358583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.358583 (E_RNA)
where:
Base-Base interactions energy: -669.377
where: short stacking energy: -411.895
Base-Backbone interact. energy: -1.664
local terms energy: -492.317308
where:
bonds (distance) C4'-P energy: -100.990
bonds (distance) P-C4' energy: -92.994
flat angles C4'-P-C4' energy: -102.335
flat angles P-C4'-P energy: -63.243
tors. eta vs tors. theta energy: -132.755
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: 9
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -914.923704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.923704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.923704 (E_RNA)
where:
Base-Base interactions energy: -503.897
where: short stacking energy: -311.301
Base-Backbone interact. energy: -0.238
local terms energy: -410.789001
where:
bonds (distance) C4'-P energy: -94.222
bonds (distance) P-C4' energy: -83.768
flat angles C4'-P-C4' energy: -87.976
flat angles P-C4'-P energy: -59.958
tors. eta vs tors. theta energy: -84.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -790.425581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.425581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.425581 (E_RNA)
where:
Base-Base interactions energy: -433.644
where: short stacking energy: -277.333
Base-Backbone interact. energy: -0.615
local terms energy: -356.167329
where:
bonds (distance) C4'-P energy: -74.949
bonds (distance) P-C4' energy: -76.524
flat angles C4'-P-C4' energy: -91.205
flat angles P-C4'-P energy: -57.137
tors. eta vs tors. theta energy: -56.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -733.965504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.965504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.965504 (E_RNA)
where:
Base-Base interactions energy: -358.558
where: short stacking energy: -236.686
Base-Backbone interact. energy: -0.807
local terms energy: -374.601267
where:
bonds (distance) C4'-P energy: -88.081
bonds (distance) P-C4' energy: -91.674
flat angles C4'-P-C4' energy: -75.612
flat angles P-C4'-P energy: -61.682
tors. eta vs tors. theta energy: -57.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -472.997806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.997806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.997806 (E_RNA)
where:
Base-Base interactions energy: -157.423
where: short stacking energy: -135.189
Base-Backbone interact. energy: 4.823
local terms energy: -320.397596
where:
bonds (distance) C4'-P energy: -79.465
bonds (distance) P-C4' energy: -87.739
flat angles C4'-P-C4' energy: -83.914
flat angles P-C4'-P energy: -47.557
tors. eta vs tors. theta energy: -21.722
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: 1
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -465.679495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.679495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.679495 (E_RNA)
where:
Base-Base interactions energy: -178.245
where: short stacking energy: -144.236
Base-Backbone interact. energy: 0.639
local terms energy: -288.072954
where:
bonds (distance) C4'-P energy: -85.503
bonds (distance) P-C4' energy: -73.555
flat angles C4'-P-C4' energy: -63.286
flat angles P-C4'-P energy: -57.968
tors. eta vs tors. theta energy: -7.761
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: 6
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -423.556111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.556111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.556111 (E_RNA)
where:
Base-Base interactions energy: -145.162
where: short stacking energy: -132.746
Base-Backbone interact. energy: 1.856
local terms energy: -280.250023
where:
bonds (distance) C4'-P energy: -77.479
bonds (distance) P-C4' energy: -89.399
flat angles C4'-P-C4' energy: -85.910
flat angles P-C4'-P energy: -23.163
tors. eta vs tors. theta energy: -4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -381.726190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.726190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.726190 (E_RNA)
where:
Base-Base interactions energy: -134.855
where: short stacking energy: -113.555
Base-Backbone interact. energy: -0.531
local terms energy: -246.339879
where:
bonds (distance) C4'-P energy: -77.641
bonds (distance) P-C4' energy: -78.453
flat angles C4'-P-C4' energy: -62.867
flat angles P-C4'-P energy: -32.618
tors. eta vs tors. theta energy: 5.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -345.562960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.562960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.562960 (E_RNA)
where:
Base-Base interactions energy: -111.344
where: short stacking energy: -106.494
Base-Backbone interact. energy: -0.014
local terms energy: -234.204704
where:
bonds (distance) C4'-P energy: -71.421
bonds (distance) P-C4' energy: -77.935
flat angles C4'-P-C4' energy: -59.972
flat angles P-C4'-P energy: -34.464
tors. eta vs tors. theta energy: 9.587
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1224.288588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.288588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.288588 (E_RNA)
where:
Base-Base interactions energy: -731.760
where: short stacking energy: -422.082
Base-Backbone interact. energy: -0.836
local terms energy: -491.692028
where:
bonds (distance) C4'-P energy: -98.311
bonds (distance) P-C4' energy: -100.233
flat angles C4'-P-C4' energy: -100.476
flat angles P-C4'-P energy: -69.483
tors. eta vs tors. theta energy: -123.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1171.308251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.308251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.308251 (E_RNA)
where:
Base-Base interactions energy: -676.529
where: short stacking energy: -402.454
Base-Backbone interact. energy: -1.038
local terms energy: -493.740844
where:
bonds (distance) C4'-P energy: -97.052
bonds (distance) P-C4' energy: -104.383
flat angles C4'-P-C4' energy: -95.218
flat angles P-C4'-P energy: -68.293
tors. eta vs tors. theta energy: -128.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -923.119307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.119307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.119307 (E_RNA)
where:
Base-Base interactions energy: -519.018
where: short stacking energy: -306.894
Base-Backbone interact. energy: -0.846
local terms energy: -403.255125
where:
bonds (distance) C4'-P energy: -79.412
bonds (distance) P-C4' energy: -83.341
flat angles C4'-P-C4' energy: -95.910
flat angles P-C4'-P energy: -64.572
tors. eta vs tors. theta energy: -80.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -783.918198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.918198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.918198 (E_RNA)
where:
Base-Base interactions energy: -395.499
where: short stacking energy: -244.934
Base-Backbone interact. energy: -1.748
local terms energy: -386.671160
where:
bonds (distance) C4'-P energy: -85.918
bonds (distance) P-C4' energy: -91.922
flat angles C4'-P-C4' energy: -94.811
flat angles P-C4'-P energy: -58.167
tors. eta vs tors. theta energy: -55.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -704.293318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.293318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.293318 (E_RNA)
where:
Base-Base interactions energy: -340.667
where: short stacking energy: -212.825
Base-Backbone interact. energy: -1.370
local terms energy: -362.256213
where:
bonds (distance) C4'-P energy: -88.918
bonds (distance) P-C4' energy: -90.226
flat angles C4'-P-C4' energy: -81.869
flat angles P-C4'-P energy: -61.255
tors. eta vs tors. theta energy: -39.988
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: 10
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -517.901032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.901032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.901032 (E_RNA)
where:
Base-Base interactions energy: -184.647
where: short stacking energy: -171.309
Base-Backbone interact. energy: -0.476
local terms energy: -332.778123
where:
bonds (distance) C4'-P energy: -84.924
bonds (distance) P-C4' energy: -86.000
flat angles C4'-P-C4' energy: -84.781
flat angles P-C4'-P energy: -55.112
tors. eta vs tors. theta energy: -21.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -462.771810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.771810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.771810 (E_RNA)
where:
Base-Base interactions energy: -157.466
where: short stacking energy: -139.967
Base-Backbone interact. energy: 4.043
local terms energy: -309.349350
where:
bonds (distance) C4'-P energy: -90.739
bonds (distance) P-C4' energy: -86.333
flat angles C4'-P-C4' energy: -71.909
flat angles P-C4'-P energy: -45.234
tors. eta vs tors. theta energy: -15.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -415.289321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.289321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.289321 (E_RNA)
where:
Base-Base interactions energy: -141.353
where: short stacking energy: -115.217
Base-Backbone interact. energy: -1.145
local terms energy: -272.791585
where:
bonds (distance) C4'-P energy: -89.032
bonds (distance) P-C4' energy: -72.153
flat angles C4'-P-C4' energy: -75.878
flat angles P-C4'-P energy: -42.993
tors. eta vs tors. theta energy: 7.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -395.506122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.506122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.506122 (E_RNA)
where:
Base-Base interactions energy: -159.008
where: short stacking energy: -125.607
Base-Backbone interact. energy: -1.205
local terms energy: -235.292731
where:
bonds (distance) C4'-P energy: -61.279
bonds (distance) P-C4' energy: -81.168
flat angles C4'-P-C4' energy: -65.944
flat angles P-C4'-P energy: -31.523
tors. eta vs tors. theta energy: 4.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -389.133018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.133018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.133018 (E_RNA)
where:
Base-Base interactions energy: -148.962
where: short stacking energy: -108.257
Base-Backbone interact. energy: -1.652
local terms energy: -238.518858
where:
bonds (distance) C4'-P energy: -74.241
bonds (distance) P-C4' energy: -70.500
flat angles C4'-P-C4' energy: -70.339
flat angles P-C4'-P energy: -35.394
tors. eta vs tors. theta energy: 11.954
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1250.869584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.869584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.869584 (E_RNA)
where:
Base-Base interactions energy: -752.507
where: short stacking energy: -425.329
Base-Backbone interact. energy: -0.393
local terms energy: -497.969375
where:
bonds (distance) C4'-P energy: -98.546
bonds (distance) P-C4' energy: -98.698
flat angles C4'-P-C4' energy: -104.405
flat angles P-C4'-P energy: -69.838
tors. eta vs tors. theta energy: -126.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1154.013029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.013029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.013029 (E_RNA)
where:
Base-Base interactions energy: -682.045
where: short stacking energy: -406.092
Base-Backbone interact. energy: -1.011
local terms energy: -470.957354
where:
bonds (distance) C4'-P energy: -90.487
bonds (distance) P-C4' energy: -92.753
flat angles C4'-P-C4' energy: -102.465
flat angles P-C4'-P energy: -64.893
tors. eta vs tors. theta energy: -120.360
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: 9
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -929.630184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.630184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.630184 (E_RNA)
where:
Base-Base interactions energy: -520.227
where: short stacking energy: -317.099
Base-Backbone interact. energy: -2.024
local terms energy: -407.378989
where:
bonds (distance) C4'-P energy: -86.615
bonds (distance) P-C4' energy: -88.351
flat angles C4'-P-C4' energy: -89.942
flat angles P-C4'-P energy: -52.340
tors. eta vs tors. theta energy: -90.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -804.463379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.463379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.463379 (E_RNA)
where:
Base-Base interactions energy: -404.764
where: short stacking energy: -259.737
Base-Backbone interact. energy: 0.044
local terms energy: -399.743749
where:
bonds (distance) C4'-P energy: -89.820
bonds (distance) P-C4' energy: -89.575
flat angles C4'-P-C4' energy: -87.980
flat angles P-C4'-P energy: -70.520
tors. eta vs tors. theta energy: -61.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -690.028995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.028995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.028995 (E_RNA)
where:
Base-Base interactions energy: -336.250
where: short stacking energy: -223.306
Base-Backbone interact. energy: -1.762
local terms energy: -352.016289
where:
bonds (distance) C4'-P energy: -76.648
bonds (distance) P-C4' energy: -85.930
flat angles C4'-P-C4' energy: -87.861
flat angles P-C4'-P energy: -56.605
tors. eta vs tors. theta energy: -44.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -497.276139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.276139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.276139 (E_RNA)
where:
Base-Base interactions energy: -176.064
where: short stacking energy: -161.493
Base-Backbone interact. energy: 1.286
local terms energy: -322.497899
where:
bonds (distance) C4'-P energy: -84.646
bonds (distance) P-C4' energy: -74.457
flat angles C4'-P-C4' energy: -73.931
flat angles P-C4'-P energy: -62.882
tors. eta vs tors. theta energy: -26.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -432.867079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.867079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.867079 (E_RNA)
where:
Base-Base interactions energy: -164.120
where: short stacking energy: -129.623
Base-Backbone interact. energy: -0.476
local terms energy: -268.270916
where:
bonds (distance) C4'-P energy: -76.338
bonds (distance) P-C4' energy: -77.186
flat angles C4'-P-C4' energy: -65.249
flat angles P-C4'-P energy: -49.211
tors. eta vs tors. theta energy: -0.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -438.273919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.273919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.273919 (E_RNA)
where:
Base-Base interactions energy: -165.588
where: short stacking energy: -127.124
Base-Backbone interact. energy: 1.370
local terms energy: -274.055671
where:
bonds (distance) C4'-P energy: -69.355
bonds (distance) P-C4' energy: -81.745
flat angles C4'-P-C4' energy: -66.303
flat angles P-C4'-P energy: -58.433
tors. eta vs tors. theta energy: 1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -388.234781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.234781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.234781 (E_RNA)
where:
Base-Base interactions energy: -141.097
where: short stacking energy: -88.876
Base-Backbone interact. energy: 1.614
local terms energy: -248.751847
where:
bonds (distance) C4'-P energy: -81.666
bonds (distance) P-C4' energy: -85.226
flat angles C4'-P-C4' energy: -57.877
flat angles P-C4'-P energy: -39.870
tors. eta vs tors. theta energy: 15.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -341.249414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.249414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.249414 (E_RNA)
where:
Base-Base interactions energy: -93.089
where: short stacking energy: -91.827
Base-Backbone interact. energy: 4.633
local terms energy: -252.793557
where:
bonds (distance) C4'-P energy: -59.060
bonds (distance) P-C4' energy: -75.840
flat angles C4'-P-C4' energy: -70.120
flat angles P-C4'-P energy: -45.075
tors. eta vs tors. theta energy: -2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1250.830569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.830569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.830569 (E_RNA)
where:
Base-Base interactions energy: -773.532
where: short stacking energy: -452.575
Base-Backbone interact. energy: -1.716
local terms energy: -475.582521
where:
bonds (distance) C4'-P energy: -78.114
bonds (distance) P-C4' energy: -100.982
flat angles C4'-P-C4' energy: -98.250
flat angles P-C4'-P energy: -67.181
tors. eta vs tors. theta energy: -131.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1126.244227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.244227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.244227 (E_RNA)
where:
Base-Base interactions energy: -671.404
where: short stacking energy: -409.895
Base-Backbone interact. energy: 0.678
local terms energy: -455.518815
where:
bonds (distance) C4'-P energy: -97.095
bonds (distance) P-C4' energy: -83.478
flat angles C4'-P-C4' energy: -100.157
flat angles P-C4'-P energy: -59.220
tors. eta vs tors. theta energy: -115.569
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: 9
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -895.214046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.214046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.214046 (E_RNA)
where:
Base-Base interactions energy: -484.094
where: short stacking energy: -302.318
Base-Backbone interact. energy: 0.655
local terms energy: -411.775421
where:
bonds (distance) C4'-P energy: -83.387
bonds (distance) P-C4' energy: -93.885
flat angles C4'-P-C4' energy: -97.789
flat angles P-C4'-P energy: -61.484
tors. eta vs tors. theta energy: -75.230
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: 494
Temperature: 1.050000
Total energy: -822.291948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.291948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.291948 (E_RNA)
where:
Base-Base interactions energy: -441.431
where: short stacking energy: -256.885
Base-Backbone interact. energy: -1.287
local terms energy: -379.574189
where:
bonds (distance) C4'-P energy: -80.437
bonds (distance) P-C4' energy: -94.335
flat angles C4'-P-C4' energy: -86.413
flat angles P-C4'-P energy: -65.983
tors. eta vs tors. theta energy: -52.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -696.074622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.074622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.074622 (E_RNA)
where:
Base-Base interactions energy: -346.938
where: short stacking energy: -237.469
Base-Backbone interact. energy: -2.390
local terms energy: -346.746963
where:
bonds (distance) C4'-P energy: -82.947
bonds (distance) P-C4' energy: -83.896
flat angles C4'-P-C4' energy: -78.638
flat angles P-C4'-P energy: -53.217
tors. eta vs tors. theta energy: -48.048
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: 6, replica: 10
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -496.745705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.745705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.745705 (E_RNA)
where:
Base-Base interactions energy: -172.300
where: short stacking energy: -160.429
Base-Backbone interact. energy: 1.078
local terms energy: -325.523605
where:
bonds (distance) C4'-P energy: -87.704
bonds (distance) P-C4' energy: -80.131
flat angles C4'-P-C4' energy: -76.205
flat angles P-C4'-P energy: -50.761
tors. eta vs tors. theta energy: -30.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -438.944752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.944752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.944752 (E_RNA)
where:
Base-Base interactions energy: -154.298
where: short stacking energy: -133.673
Base-Backbone interact. energy: 1.465
local terms energy: -286.112186
where:
bonds (distance) C4'-P energy: -63.926
bonds (distance) P-C4' energy: -87.767
flat angles C4'-P-C4' energy: -76.208
flat angles P-C4'-P energy: -53.639
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -408.827692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.827692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.827692 (E_RNA)
where:
Base-Base interactions energy: -148.437
where: short stacking energy: -130.545
Base-Backbone interact. energy: -1.047
local terms energy: -259.343298
where:
bonds (distance) C4'-P energy: -70.939
bonds (distance) P-C4' energy: -87.715
flat angles C4'-P-C4' energy: -61.859
flat angles P-C4'-P energy: -42.016
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: 2
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -388.369286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.369286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.369286 (E_RNA)
where:
Base-Base interactions energy: -135.974
where: short stacking energy: -133.656
Base-Backbone interact. energy: 1.217
local terms energy: -253.612430
where:
bonds (distance) C4'-P energy: -71.511
bonds (distance) P-C4' energy: -73.899
flat angles C4'-P-C4' energy: -66.136
flat angles P-C4'-P energy: -44.910
tors. eta vs tors. theta energy: 2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -351.232609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.232609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.232609 (E_RNA)
where:
Base-Base interactions energy: -101.152
where: short stacking energy: -91.684
Base-Backbone interact. energy: 4.981
local terms energy: -255.062234
where:
bonds (distance) C4'-P energy: -71.060
bonds (distance) P-C4' energy: -80.911
flat angles C4'-P-C4' energy: -66.528
flat angles P-C4'-P energy: -49.704
tors. eta vs tors. theta energy: 13.141
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1230.003136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.003136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.003136 (E_RNA)
where:
Base-Base interactions energy: -738.111
where: short stacking energy: -427.257
Base-Backbone interact. energy: -0.566
local terms energy: -491.325868
where:
bonds (distance) C4'-P energy: -90.227
bonds (distance) P-C4' energy: -89.764
flat angles C4'-P-C4' energy: -109.620
flat angles P-C4'-P energy: -70.874
tors. eta vs tors. theta energy: -130.840
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: 2, replica: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1163.449520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.449520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.449520 (E_RNA)
where:
Base-Base interactions energy: -685.531
where: short stacking energy: -393.188
Base-Backbone interact. energy: -1.413
local terms energy: -476.505668
where:
bonds (distance) C4'-P energy: -85.545
bonds (distance) P-C4' energy: -100.468
flat angles C4'-P-C4' energy: -106.153
flat angles P-C4'-P energy: -65.134
tors. eta vs tors. theta energy: -119.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -873.947161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.947161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.947161 (E_RNA)
where:
Base-Base interactions energy: -460.647
where: short stacking energy: -271.349
Base-Backbone interact. energy: 0.847
local terms energy: -414.147727
where:
bonds (distance) C4'-P energy: -84.915
bonds (distance) P-C4' energy: -86.596
flat angles C4'-P-C4' energy: -88.431
flat angles P-C4'-P energy: -75.310
tors. eta vs tors. theta energy: -78.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -826.075542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.075542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.075542 (E_RNA)
where:
Base-Base interactions energy: -448.211
where: short stacking energy: -282.471
Base-Backbone interact. energy: -0.213
local terms energy: -377.650985
where:
bonds (distance) C4'-P energy: -75.423
bonds (distance) P-C4' energy: -72.744
flat angles C4'-P-C4' energy: -93.515
flat angles P-C4'-P energy: -70.525
tors. eta vs tors. theta energy: -65.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -656.755213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.755213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.755213 (E_RNA)
where:
Base-Base interactions energy: -318.117
where: short stacking energy: -217.030
Base-Backbone interact. energy: -1.506
local terms energy: -337.131717
where:
bonds (distance) C4'-P energy: -68.358
bonds (distance) P-C4' energy: -100.715
flat angles C4'-P-C4' energy: -82.657
flat angles P-C4'-P energy: -45.173
tors. eta vs tors. theta energy: -40.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -468.978968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.978968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.978968 (E_RNA)
where:
Base-Base interactions energy: -173.984
where: short stacking energy: -136.821
Base-Backbone interact. energy: 1.249
local terms energy: -296.243461
where:
bonds (distance) C4'-P energy: -88.846
bonds (distance) P-C4' energy: -89.045
flat angles C4'-P-C4' energy: -68.429
flat angles P-C4'-P energy: -45.691
tors. eta vs tors. theta energy: -4.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -449.169046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.169046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.169046 (E_RNA)
where:
Base-Base interactions energy: -177.809
where: short stacking energy: -144.275
Base-Backbone interact. energy: 0.005
local terms energy: -271.365558
where:
bonds (distance) C4'-P energy: -65.138
bonds (distance) P-C4' energy: -87.554
flat angles C4'-P-C4' energy: -72.991
flat angles P-C4'-P energy: -41.234
tors. eta vs tors. theta energy: -4.448
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: 8, replica: 2
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -435.464084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.464084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.464084 (E_RNA)
where:
Base-Base interactions energy: -165.355
where: short stacking energy: -146.642
Base-Backbone interact. energy: 0.652
local terms energy: -270.761961
where:
bonds (distance) C4'-P energy: -69.772
bonds (distance) P-C4' energy: -93.141
flat angles C4'-P-C4' energy: -65.500
flat angles P-C4'-P energy: -45.148
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: 9, replica: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -421.585190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.585190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.585190 (E_RNA)
where:
Base-Base interactions energy: -154.068
where: short stacking energy: -122.475
Base-Backbone interact. energy: 3.129
local terms energy: -270.646707
where:
bonds (distance) C4'-P energy: -64.732
bonds (distance) P-C4' energy: -100.153
flat angles C4'-P-C4' energy: -73.381
flat angles P-C4'-P energy: -29.675
tors. eta vs tors. theta energy: -2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -361.030036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.030036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.030036 (E_RNA)
where:
Base-Base interactions energy: -112.070
where: short stacking energy: -100.780
Base-Backbone interact. energy: -1.194
local terms energy: -247.765946
where:
bonds (distance) C4'-P energy: -54.483
bonds (distance) P-C4' energy: -78.232
flat angles C4'-P-C4' energy: -83.439
flat angles P-C4'-P energy: -53.014
tors. eta vs tors. theta energy: 21.402
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1234.809593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.809593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.809593 (E_RNA)
where:
Base-Base interactions energy: -736.763
where: short stacking energy: -417.499
Base-Backbone interact. energy: 0.514
local terms energy: -498.560151
where:
bonds (distance) C4'-P energy: -98.349
bonds (distance) P-C4' energy: -94.704
flat angles C4'-P-C4' energy: -100.293
flat angles P-C4'-P energy: -71.617
tors. eta vs tors. theta energy: -133.597
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: 4
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1144.725899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.725899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.725899 (E_RNA)
where:
Base-Base interactions energy: -684.474
where: short stacking energy: -415.521
Base-Backbone interact. energy: 0.169
local terms energy: -460.420795
where:
bonds (distance) C4'-P energy: -86.222
bonds (distance) P-C4' energy: -90.977
flat angles C4'-P-C4' energy: -99.548
flat angles P-C4'-P energy: -57.938
tors. eta vs tors. theta energy: -125.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -957.793566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.793566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.793566 (E_RNA)
where:
Base-Base interactions energy: -549.047
where: short stacking energy: -339.599
Base-Backbone interact. energy: -0.371
local terms energy: -408.375619
where:
bonds (distance) C4'-P energy: -74.666
bonds (distance) P-C4' energy: -93.022
flat angles C4'-P-C4' energy: -88.945
flat angles P-C4'-P energy: -67.523
tors. eta vs tors. theta energy: -84.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -845.181783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.181783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.181783 (E_RNA)
where:
Base-Base interactions energy: -459.359
where: short stacking energy: -284.074
Base-Backbone interact. energy: -0.824
local terms energy: -384.999051
where:
bonds (distance) C4'-P energy: -80.197
bonds (distance) P-C4' energy: -94.227
flat angles C4'-P-C4' energy: -79.771
flat angles P-C4'-P energy: -63.621
tors. eta vs tors. theta energy: -67.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -708.397477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.397477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.397477 (E_RNA)
where:
Base-Base interactions energy: -362.943
where: short stacking energy: -240.636
Base-Backbone interact. energy: -0.591
local terms energy: -344.863468
where:
bonds (distance) C4'-P energy: -87.020
bonds (distance) P-C4' energy: -77.764
flat angles C4'-P-C4' energy: -85.649
flat angles P-C4'-P energy: -59.021
tors. eta vs tors. theta energy: -35.409
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: 6
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -481.872479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.872479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.872479 (E_RNA)
where:
Base-Base interactions energy: -179.392
where: short stacking energy: -154.340
Base-Backbone interact. energy: -0.591
local terms energy: -301.888766
where:
bonds (distance) C4'-P energy: -90.645
bonds (distance) P-C4' energy: -81.768
flat angles C4'-P-C4' energy: -66.254
flat angles P-C4'-P energy: -52.279
tors. eta vs tors. theta energy: -10.944
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: 10
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -444.274040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.274040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.274040 (E_RNA)
where:
Base-Base interactions energy: -140.679
where: short stacking energy: -130.247
Base-Backbone interact. energy: 0.288
local terms energy: -303.882857
where:
bonds (distance) C4'-P energy: -94.725
bonds (distance) P-C4' energy: -89.095
flat angles C4'-P-C4' energy: -63.573
flat angles P-C4'-P energy: -51.144
tors. eta vs tors. theta energy: -5.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -420.296442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.296442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.296442 (E_RNA)
where:
Base-Base interactions energy: -155.558
where: short stacking energy: -128.109
Base-Backbone interact. energy: -1.317
local terms energy: -263.421266
where:
bonds (distance) C4'-P energy: -71.221
bonds (distance) P-C4' energy: -90.757
flat angles C4'-P-C4' energy: -66.112
flat angles P-C4'-P energy: -43.521
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: 7
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -366.627409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.627409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.627409 (E_RNA)
where:
Base-Base interactions energy: -127.366
where: short stacking energy: -112.896
Base-Backbone interact. energy: 3.627
local terms energy: -242.887577
where:
bonds (distance) C4'-P energy: -54.613
bonds (distance) P-C4' energy: -94.029
flat angles C4'-P-C4' energy: -59.890
flat angles P-C4'-P energy: -47.072
tors. eta vs tors. theta energy: 12.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -330.233432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.233432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.233432 (E_RNA)
where:
Base-Base interactions energy: -95.346
where: short stacking energy: -84.302
Base-Backbone interact. energy: 1.226
local terms energy: -236.113427
where:
bonds (distance) C4'-P energy: -88.557
bonds (distance) P-C4' energy: -80.536
flat angles C4'-P-C4' energy: -67.449
flat angles P-C4'-P energy: -24.133
tors. eta vs tors. theta energy: 24.562
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1250.188097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.188097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.188097 (E_RNA)
where:
Base-Base interactions energy: -737.600
where: short stacking energy: -424.493
Base-Backbone interact. energy: -0.495
local terms energy: -512.093237
where:
bonds (distance) C4'-P energy: -93.632
bonds (distance) P-C4' energy: -103.432
flat angles C4'-P-C4' energy: -113.537
flat angles P-C4'-P energy: -66.258
tors. eta vs tors. theta energy: -135.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1158.940495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.940495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.940495 (E_RNA)
where:
Base-Base interactions energy: -691.198
where: short stacking energy: -395.520
Base-Backbone interact. energy: -1.002
local terms energy: -466.741096
where:
bonds (distance) C4'-P energy: -93.575
bonds (distance) P-C4' energy: -94.811
flat angles C4'-P-C4' energy: -97.508
flat angles P-C4'-P energy: -64.019
tors. eta vs tors. theta energy: -116.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -926.179797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.179797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.179797 (E_RNA)
where:
Base-Base interactions energy: -509.388
where: short stacking energy: -314.042
Base-Backbone interact. energy: -0.379
local terms energy: -416.412200
where:
bonds (distance) C4'-P energy: -88.167
bonds (distance) P-C4' energy: -81.872
flat angles C4'-P-C4' energy: -97.042
flat angles P-C4'-P energy: -68.364
tors. eta vs tors. theta energy: -80.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -843.064687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.064687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.064687 (E_RNA)
where:
Base-Base interactions energy: -454.845
where: short stacking energy: -286.208
Base-Backbone interact. energy: 1.515
local terms energy: -389.734121
where:
bonds (distance) C4'-P energy: -84.101
bonds (distance) P-C4' energy: -99.040
flat angles C4'-P-C4' energy: -87.922
flat angles P-C4'-P energy: -56.752
tors. eta vs tors. theta energy: -61.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -648.665068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.665068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.665068 (E_RNA)
where:
Base-Base interactions energy: -307.914
where: short stacking energy: -207.456
Base-Backbone interact. energy: 0.393
local terms energy: -341.144109
where:
bonds (distance) C4'-P energy: -87.973
bonds (distance) P-C4' energy: -88.207
flat angles C4'-P-C4' energy: -87.038
flat angles P-C4'-P energy: -41.576
tors. eta vs tors. theta energy: -36.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -523.463597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.463597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.463597 (E_RNA)
where:
Base-Base interactions energy: -199.846
where: short stacking energy: -149.775
Base-Backbone interact. energy: -0.902
local terms energy: -322.716151
where:
bonds (distance) C4'-P energy: -89.460
bonds (distance) P-C4' energy: -92.009
flat angles C4'-P-C4' energy: -74.652
flat angles P-C4'-P energy: -49.928
tors. eta vs tors. theta energy: -16.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -450.202086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.202086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.202086 (E_RNA)
where:
Base-Base interactions energy: -175.262
where: short stacking energy: -141.195
Base-Backbone interact. energy: 4.929
local terms energy: -279.869008
where:
bonds (distance) C4'-P energy: -71.066
bonds (distance) P-C4' energy: -82.635
flat angles C4'-P-C4' energy: -75.185
flat angles P-C4'-P energy: -46.130
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -435.559102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.559102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.559102 (E_RNA)
where:
Base-Base interactions energy: -145.936
where: short stacking energy: -131.986
Base-Backbone interact. energy: -0.606
local terms energy: -289.016701
where:
bonds (distance) C4'-P energy: -82.644
bonds (distance) P-C4' energy: -91.333
flat angles C4'-P-C4' energy: -67.998
flat angles P-C4'-P energy: -42.186
tors. eta vs tors. theta energy: -4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -356.575554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.575554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.575554 (E_RNA)
where:
Base-Base interactions energy: -117.620
where: short stacking energy: -111.905
Base-Backbone interact. energy: 2.763
local terms energy: -241.718620
where:
bonds (distance) C4'-P energy: -75.809
bonds (distance) P-C4' energy: -77.843
flat angles C4'-P-C4' energy: -45.533
flat angles P-C4'-P energy: -53.968
tors. eta vs tors. theta energy: 11.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -337.381269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.381269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.381269 (E_RNA)
where:
Base-Base interactions energy: -110.712
where: short stacking energy: -104.331
Base-Backbone interact. energy: -0.728
local terms energy: -225.941443
where:
bonds (distance) C4'-P energy: -64.239
bonds (distance) P-C4' energy: -87.754
flat angles C4'-P-C4' energy: -62.395
flat angles P-C4'-P energy: -29.981
tors. eta vs tors. theta energy: 18.428
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1285.716311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.716311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.716311 (E_RNA)
where:
Base-Base interactions energy: -782.546
where: short stacking energy: -448.754
Base-Backbone interact. energy: -1.034
local terms energy: -502.136808
where:
bonds (distance) C4'-P energy: -89.574
bonds (distance) P-C4' energy: -99.095
flat angles C4'-P-C4' energy: -96.224
flat angles P-C4'-P energy: -73.386
tors. eta vs tors. theta energy: -143.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1166.283149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.283149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.283149 (E_RNA)
where:
Base-Base interactions energy: -713.187
where: short stacking energy: -410.962
Base-Backbone interact. energy: -0.734
local terms energy: -452.362012
where:
bonds (distance) C4'-P energy: -84.117
bonds (distance) P-C4' energy: -92.913
flat angles C4'-P-C4' energy: -86.600
flat angles P-C4'-P energy: -67.062
tors. eta vs tors. theta energy: -121.670
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: 9
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -941.156259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.156259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.156259 (E_RNA)
where:
Base-Base interactions energy: -518.465
where: short stacking energy: -308.783
Base-Backbone interact. energy: -0.292
local terms energy: -422.399328
where:
bonds (distance) C4'-P energy: -90.290
bonds (distance) P-C4' energy: -97.843
flat angles C4'-P-C4' energy: -99.698
flat angles P-C4'-P energy: -52.277
tors. eta vs tors. theta energy: -82.292
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: 498
Temperature: 1.050000
Total energy: -840.637046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.637046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.637046 (E_RNA)
where:
Base-Base interactions energy: -431.884
where: short stacking energy: -267.008
Base-Backbone interact. energy: -1.166
local terms energy: -407.586411
where:
bonds (distance) C4'-P energy: -99.831
bonds (distance) P-C4' energy: -96.336
flat angles C4'-P-C4' energy: -100.870
flat angles P-C4'-P energy: -50.503
tors. eta vs tors. theta energy: -60.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -689.493612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.493612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.493612 (E_RNA)
where:
Base-Base interactions energy: -349.266
where: short stacking energy: -226.086
Base-Backbone interact. energy: 1.497
local terms energy: -341.723878
where:
bonds (distance) C4'-P energy: -80.785
bonds (distance) P-C4' energy: -91.777
flat angles C4'-P-C4' energy: -78.222
flat angles P-C4'-P energy: -55.474
tors. eta vs tors. theta energy: -35.466
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: 6
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -513.456069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.456069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.456069 (E_RNA)
where:
Base-Base interactions energy: -214.023
where: short stacking energy: -185.527
Base-Backbone interact. energy: 2.144
local terms energy: -301.576932
where:
bonds (distance) C4'-P energy: -69.946
bonds (distance) P-C4' energy: -91.436
flat angles C4'-P-C4' energy: -75.167
flat angles P-C4'-P energy: -52.951
tors. eta vs tors. theta energy: -12.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -460.293255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.293255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.293255 (E_RNA)
where:
Base-Base interactions energy: -163.969
where: short stacking energy: -145.409
Base-Backbone interact. energy: 3.540
local terms energy: -299.863657
where:
bonds (distance) C4'-P energy: -76.634
bonds (distance) P-C4' energy: -92.910
flat angles C4'-P-C4' energy: -78.620
flat angles P-C4'-P energy: -40.474
tors. eta vs tors. theta energy: -11.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -421.206020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.206020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.206020 (E_RNA)
where:
Base-Base interactions energy: -140.066
where: short stacking energy: -125.848
Base-Backbone interact. energy: -0.874
local terms energy: -280.266097
where:
bonds (distance) C4'-P energy: -68.076
bonds (distance) P-C4' energy: -93.923
flat angles C4'-P-C4' energy: -64.909
flat angles P-C4'-P energy: -45.903
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -377.865111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.865111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.865111 (E_RNA)
where:
Base-Base interactions energy: -141.820
where: short stacking energy: -123.544
Base-Backbone interact. energy: 3.084
local terms energy: -239.128267
where:
bonds (distance) C4'-P energy: -53.567
bonds (distance) P-C4' energy: -79.667
flat angles C4'-P-C4' energy: -77.072
flat angles P-C4'-P energy: -35.463
tors. eta vs tors. theta energy: 6.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -354.913290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.913290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.913290 (E_RNA)
where:
Base-Base interactions energy: -116.478
where: short stacking energy: -90.231
Base-Backbone interact. energy: 1.817
local terms energy: -240.253218
where:
bonds (distance) C4'-P energy: -73.302
bonds (distance) P-C4' energy: -87.598
flat angles C4'-P-C4' energy: -62.193
flat angles P-C4'-P energy: -35.772
tors. eta vs tors. theta energy: 18.611
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1212.604496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.604496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.604496 (E_RNA)
where:
Base-Base interactions energy: -719.394
where: short stacking energy: -426.853
Base-Backbone interact. energy: -1.187
local terms energy: -492.023473
where:
bonds (distance) C4'-P energy: -94.971
bonds (distance) P-C4' energy: -89.302
flat angles C4'-P-C4' energy: -96.487
flat angles P-C4'-P energy: -66.544
tors. eta vs tors. theta energy: -144.718
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: 4
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1173.618073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.618073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.618073 (E_RNA)
where:
Base-Base interactions energy: -681.315
where: short stacking energy: -377.823
Base-Backbone interact. energy: -3.866
local terms energy: -488.437284
where:
bonds (distance) C4'-P energy: -94.238
bonds (distance) P-C4' energy: -94.967
flat angles C4'-P-C4' energy: -106.467
flat angles P-C4'-P energy: -72.733
tors. eta vs tors. theta energy: -120.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -918.160038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.160038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.160038 (E_RNA)
where:
Base-Base interactions energy: -507.703
where: short stacking energy: -341.551
Base-Backbone interact. energy: 1.344
local terms energy: -411.800419
where:
bonds (distance) C4'-P energy: -86.724
bonds (distance) P-C4' energy: -77.900
flat angles C4'-P-C4' energy: -104.018
flat angles P-C4'-P energy: -51.917
tors. eta vs tors. theta energy: -91.241
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: 499
Temperature: 1.050000
Total energy: -839.887104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.887104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.887104 (E_RNA)
where:
Base-Base interactions energy: -451.013
where: short stacking energy: -268.125
Base-Backbone interact. energy: 0.701
local terms energy: -389.574622
where:
bonds (distance) C4'-P energy: -86.515
bonds (distance) P-C4' energy: -95.832
flat angles C4'-P-C4' energy: -92.664
flat angles P-C4'-P energy: -50.201
tors. eta vs tors. theta energy: -64.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -674.151431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.151431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.151431 (E_RNA)
where:
Base-Base interactions energy: -335.226
where: short stacking energy: -209.997
Base-Backbone interact. energy: -0.772
local terms energy: -338.152630
where:
bonds (distance) C4'-P energy: -73.643
bonds (distance) P-C4' energy: -87.747
flat angles C4'-P-C4' energy: -98.874
flat angles P-C4'-P energy: -48.013
tors. eta vs tors. theta energy: -29.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -520.348876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.348876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.348876 (E_RNA)
where:
Base-Base interactions energy: -221.907
where: short stacking energy: -203.553
Base-Backbone interact. energy: -0.223
local terms energy: -298.219402
where:
bonds (distance) C4'-P energy: -75.754
bonds (distance) P-C4' energy: -80.003
flat angles C4'-P-C4' energy: -69.028
flat angles P-C4'-P energy: -41.813
tors. eta vs tors. theta energy: -31.621
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: 10
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -450.658467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.658467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.658467 (E_RNA)
where:
Base-Base interactions energy: -159.209
where: short stacking energy: -138.879
Base-Backbone interact. energy: -2.485
local terms energy: -288.964771
where:
bonds (distance) C4'-P energy: -61.431
bonds (distance) P-C4' energy: -91.196
flat angles C4'-P-C4' energy: -77.443
flat angles P-C4'-P energy: -61.285
tors. eta vs tors. theta energy: 2.390
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: 2
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -450.359456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.359456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.359456 (E_RNA)
where:
Base-Base interactions energy: -142.235
where: short stacking energy: -105.150
Base-Backbone interact. energy: -0.260
local terms energy: -307.864750
where:
bonds (distance) C4'-P energy: -83.888
bonds (distance) P-C4' energy: -92.954
flat angles C4'-P-C4' energy: -82.798
flat angles P-C4'-P energy: -41.836
tors. eta vs tors. theta energy: -6.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -368.397215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.397215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.397215 (E_RNA)
where:
Base-Base interactions energy: -114.148
where: short stacking energy: -103.782
Base-Backbone interact. energy: -0.390
local terms energy: -253.859904
where:
bonds (distance) C4'-P energy: -80.462
bonds (distance) P-C4' energy: -84.742
flat angles C4'-P-C4' energy: -76.858
flat angles P-C4'-P energy: -29.718
tors. eta vs tors. theta energy: 17.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -360.673611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.673611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.673611 (E_RNA)
where:
Base-Base interactions energy: -95.938
where: short stacking energy: -89.857
Base-Backbone interact. energy: 2.189
local terms energy: -266.923659
where:
bonds (distance) C4'-P energy: -81.724
bonds (distance) P-C4' energy: -99.602
flat angles C4'-P-C4' energy: -65.089
flat angles P-C4'-P energy: -35.775
tors. eta vs tors. theta energy: 15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1251.453983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.453983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.453983 (E_RNA)
where:
Base-Base interactions energy: -757.181
where: short stacking energy: -430.183
Base-Backbone interact. energy: -0.866
local terms energy: -493.406672
where:
bonds (distance) C4'-P energy: -88.543
bonds (distance) P-C4' energy: -99.530
flat angles C4'-P-C4' energy: -106.309
flat angles P-C4'-P energy: -64.910
tors. eta vs tors. theta energy: -134.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1166.534495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.534495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.534495 (E_RNA)
where:
Base-Base interactions energy: -680.821
where: short stacking energy: -386.968
Base-Backbone interact. energy: -2.051
local terms energy: -483.662735
where:
bonds (distance) C4'-P energy: -96.459
bonds (distance) P-C4' energy: -95.178
flat angles C4'-P-C4' energy: -100.330
flat angles P-C4'-P energy: -68.459
tors. eta vs tors. theta energy: -123.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -952.461948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.461948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.461948 (E_RNA)
where:
Base-Base interactions energy: -551.691
where: short stacking energy: -331.591
Base-Backbone interact. energy: -1.524
local terms energy: -399.246709
where:
bonds (distance) C4'-P energy: -85.781
bonds (distance) P-C4' energy: -86.934
flat angles C4'-P-C4' energy: -91.277
flat angles P-C4'-P energy: -59.059
tors. eta vs tors. theta energy: -76.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -821.302084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.302084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.302084 (E_RNA)
where:
Base-Base interactions energy: -429.143
where: short stacking energy: -291.469
Base-Backbone interact. energy: 0.348
local terms energy: -392.506876
where:
bonds (distance) C4'-P energy: -85.281
bonds (distance) P-C4' energy: -94.773
flat angles C4'-P-C4' energy: -92.658
flat angles P-C4'-P energy: -51.792
tors. eta vs tors. theta energy: -68.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -681.124586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.124586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.124586 (E_RNA)
where:
Base-Base interactions energy: -325.701
where: short stacking energy: -234.294
Base-Backbone interact. energy: 3.535
local terms energy: -358.959441
where:
bonds (distance) C4'-P energy: -87.482
bonds (distance) P-C4' energy: -89.221
flat angles C4'-P-C4' energy: -70.859
flat angles P-C4'-P energy: -55.073
tors. eta vs tors. theta energy: -56.324
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: 6
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -496.962504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.962504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.962504 (E_RNA)
where:
Base-Base interactions energy: -189.337
where: short stacking energy: -187.814
Base-Backbone interact. energy: -0.745
local terms energy: -306.880466
where:
bonds (distance) C4'-P energy: -65.424
bonds (distance) P-C4' energy: -82.186
flat angles C4'-P-C4' energy: -80.780
flat angles P-C4'-P energy: -43.505
tors. eta vs tors. theta energy: -34.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -469.396712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.396712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.396712 (E_RNA)
where:
Base-Base interactions energy: -172.595
where: short stacking energy: -128.793
Base-Backbone interact. energy: -0.214
local terms energy: -296.587219
where:
bonds (distance) C4'-P energy: -80.658
bonds (distance) P-C4' energy: -74.813
flat angles C4'-P-C4' energy: -88.719
flat angles P-C4'-P energy: -49.116
tors. eta vs tors. theta energy: -3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -408.878075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.878075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.878075 (E_RNA)
where:
Base-Base interactions energy: -132.621
where: short stacking energy: -116.546
Base-Backbone interact. energy: 2.579
local terms energy: -278.835950
where:
bonds (distance) C4'-P energy: -82.302
bonds (distance) P-C4' energy: -83.584
flat angles C4'-P-C4' energy: -77.928
flat angles P-C4'-P energy: -45.067
tors. eta vs tors. theta energy: 10.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -371.048714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.048714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.048714 (E_RNA)
where:
Base-Base interactions energy: -132.062
where: short stacking energy: -100.470
Base-Backbone interact. energy: -1.241
local terms energy: -237.745814
where:
bonds (distance) C4'-P energy: -80.094
bonds (distance) P-C4' energy: -52.557
flat angles C4'-P-C4' energy: -73.276
flat angles P-C4'-P energy: -44.540
tors. eta vs tors. theta energy: 12.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -367.493859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.493859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.493859 (E_RNA)
where:
Base-Base interactions energy: -130.857
where: short stacking energy: -110.206
Base-Backbone interact. energy: 2.621
local terms energy: -239.258226
where:
bonds (distance) C4'-P energy: -72.781
bonds (distance) P-C4' energy: -87.239
flat angles C4'-P-C4' energy: -55.894
flat angles P-C4'-P energy: -31.024
tors. eta vs tors. theta energy: 7.679
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1275.405554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.405554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.405554 (E_RNA)
where:
Base-Base interactions energy: -759.341
where: short stacking energy: -453.566
Base-Backbone interact. energy: -0.584
local terms energy: -515.480235
where:
bonds (distance) C4'-P energy: -87.976
bonds (distance) P-C4' energy: -98.623
flat angles C4'-P-C4' energy: -108.297
flat angles P-C4'-P energy: -72.289
tors. eta vs tors. theta energy: -148.295
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: 2, replica: 4
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -1201.574255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.574255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.574255 (E_RNA)
where:
Base-Base interactions energy: -731.718
where: short stacking energy: -412.344
Base-Backbone interact. energy: -1.968
local terms energy: -467.888130
where:
bonds (distance) C4'-P energy: -79.088
bonds (distance) P-C4' energy: -89.870
flat angles C4'-P-C4' energy: -100.861
flat angles P-C4'-P energy: -68.661
tors. eta vs tors. theta energy: -129.408
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: 9
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -930.612228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.612228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.612228 (E_RNA)
where:
Base-Base interactions energy: -524.982
where: short stacking energy: -312.912
Base-Backbone interact. energy: 0.311
local terms energy: -405.941396
where:
bonds (distance) C4'-P energy: -81.570
bonds (distance) P-C4' energy: -89.562
flat angles C4'-P-C4' energy: -87.097
flat angles P-C4'-P energy: -67.275
tors. eta vs tors. theta energy: -80.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -836.821300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.821300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.821300 (E_RNA)
where:
Base-Base interactions energy: -440.104
where: short stacking energy: -261.246
Base-Backbone interact. energy: -2.166
local terms energy: -394.551245
where:
bonds (distance) C4'-P energy: -77.642
bonds (distance) P-C4' energy: -89.961
flat angles C4'-P-C4' energy: -91.634
flat angles P-C4'-P energy: -69.117
tors. eta vs tors. theta energy: -66.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -655.478846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.478846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.478846 (E_RNA)
where:
Base-Base interactions energy: -312.377
where: short stacking energy: -187.480
Base-Backbone interact. energy: -0.797
local terms energy: -342.304901
where:
bonds (distance) C4'-P energy: -82.969
bonds (distance) P-C4' energy: -94.916
flat angles C4'-P-C4' energy: -87.619
flat angles P-C4'-P energy: -49.521
tors. eta vs tors. theta energy: -27.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -497.077581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.077581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.077581 (E_RNA)
where:
Base-Base interactions energy: -178.243
where: short stacking energy: -169.046
Base-Backbone interact. energy: 0.202
local terms energy: -319.037245
where:
bonds (distance) C4'-P energy: -86.227
bonds (distance) P-C4' energy: -82.302
flat angles C4'-P-C4' energy: -86.778
flat angles P-C4'-P energy: -45.071
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -468.895987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.895987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.895987 (E_RNA)
where:
Base-Base interactions energy: -168.963
where: short stacking energy: -149.341
Base-Backbone interact. energy: -0.799
local terms energy: -299.133833
where:
bonds (distance) C4'-P energy: -78.245
bonds (distance) P-C4' energy: -84.844
flat angles C4'-P-C4' energy: -76.483
flat angles P-C4'-P energy: -39.969
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -413.374790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.374790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.374790 (E_RNA)
where:
Base-Base interactions energy: -152.563
where: short stacking energy: -118.715
Base-Backbone interact. energy: -2.264
local terms energy: -258.547499
where:
bonds (distance) C4'-P energy: -78.352
bonds (distance) P-C4' energy: -77.911
flat angles C4'-P-C4' energy: -65.678
flat angles P-C4'-P energy: -42.302
tors. eta vs tors. theta energy: 5.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -390.447489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.447489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.447489 (E_RNA)
where:
Base-Base interactions energy: -147.703
where: short stacking energy: -101.822
Base-Backbone interact. energy: -1.216
local terms energy: -241.528825
where:
bonds (distance) C4'-P energy: -83.801
bonds (distance) P-C4' energy: -76.529
flat angles C4'-P-C4' energy: -56.722
flat angles P-C4'-P energy: -37.692
tors. eta vs tors. theta energy: 13.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -360.253118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.253118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.253118 (E_RNA)
where:
Base-Base interactions energy: -113.205
where: short stacking energy: -104.012
Base-Backbone interact. energy: -1.990
local terms energy: -245.058493
where:
bonds (distance) C4'-P energy: -78.025
bonds (distance) P-C4' energy: -77.296
flat angles C4'-P-C4' energy: -54.343
flat angles P-C4'-P energy: -41.726
tors. eta vs tors. theta energy: 6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 8 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 112461616
moves confirmed later: 126322755
all moves confirmed: 238784371
percent of confirmed moves: 29.848046
current total energy: -1169.499854
recalc. total energy: -1169.499854
replica 4 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 96394510
moves confirmed later: 104408373
all moves confirmed: 200802883
percent of confirmed moves: 25.100360
current total energy: -1108.179375
recalc. total energy: -1108.179375
replica 9 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 145675426
moves confirmed later: 171406120
all moves confirmed: 317081546
percent of confirmed moves: 39.635193
current total energy: -845.265764
recalc. total energy: -845.265764
replica 3 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 130514974
moves confirmed later: 150192736
all moves confirmed: 280707710
percent of confirmed moves: 35.088464
current total energy: -776.542842
recalc. total energy: -776.542842
replica 5 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 162339336
moves confirmed later: 194116275
all moves confirmed: 356455611
percent of confirmed moves: 44.556951
current total energy: -532.080213
recalc. total energy: -532.080213
replica 2 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 144358402
moves confirmed later: 168991519
all moves confirmed: 313349921
percent of confirmed moves: 39.168740
current total energy: -422.640193
recalc. total energy: -422.640193
replica 6 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 181372057
moves confirmed later: 220296959
all moves confirmed: 401669016
percent of confirmed moves: 50.208627
current total energy: -313.172414
recalc. total energy: -313.172414
replica 1 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 166465474
moves confirmed later: 199544431
all moves confirmed: 366009905
percent of confirmed moves: 45.751238
current total energy: -287.944062
recalc. total energy: -287.944062
replica 10 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 175996601
moves confirmed later: 212875776
all moves confirmed: 388872377
percent of confirmed moves: 48.609047
current total energy: -292.439543
recalc. total energy: -292.439543
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 170318599
moves confirmed later: 205030939
all moves confirmed: 375349538
percent of confirmed moves: 46.918692
current total energy: -263.830150
recalc. total energy: -263.830150
Time of doing 8000000 iterations: 33247.900 seconds